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@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)CC1(O)CCOCC1 ZINC001119002677 847669182 /nfs/dbraw/zinc/66/91/82/847669182.db2.gz APNBONPSOMLEBD-OKZBNKHCSA-N 2 0 356.507 0.636 10 0 FCAERP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC001119767466 847969265 /nfs/dbraw/zinc/96/92/65/847969265.db2.gz XBYIPLNMCVFVJW-MRXNPFEDSA-N 2 0 354.495 0.204 10 0 FCAERP O=C(N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1)C1C[NH+](C2CCOCC2)C1 ZINC001123864547 848646719 /nfs/dbraw/zinc/64/67/19/848646719.db2.gz ZMLXGMXMJBIQEC-QZTJIDSGSA-N 2 0 351.491 0.591 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C(C)(C)C)c2)CC[N@@H+]1C ZINC001278084891 862181294 /nfs/dbraw/zinc/18/12/94/862181294.db2.gz HTEIXMGBZZGGAR-FVQBIDKESA-N 2 0 351.495 0.545 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001278756833 862452921 /nfs/dbraw/zinc/45/29/21/862452921.db2.gz VFNUJXHJSGJTQU-QLFBSQMISA-N 2 0 356.511 0.040 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3ocnc3C)C2)CC[N@@H+]1C ZINC001278782590 862475990 /nfs/dbraw/zinc/47/59/90/862475990.db2.gz ZTLUKWMDGCWTQX-HDMKZQKVSA-N 2 0 350.463 0.766 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC2CC2)C(C)(C)C)CC[N@@H+]1C ZINC001278961641 862584770 /nfs/dbraw/zinc/58/47/70/862584770.db2.gz BMQYVEDOPARIEH-BMFZPTHFSA-N 2 0 352.523 0.973 10 0 FCAERP CNC(=O)[C@H]1CC[NH+](CC[Si](C)(C)CC[N@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC001261798949 858668338 /nfs/dbraw/zinc/66/83/38/858668338.db2.gz YSHAWBBENBWTEE-HOTGVXAUSA-N 2 0 368.598 0.831 10 0 FCAERP CC[NH+]1CCN(CCCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001261850247 858685390 /nfs/dbraw/zinc/68/53/90/858685390.db2.gz FJJCTCGBDCBTSA-KRWDZBQOSA-N 2 0 350.511 0.822 10 0 FCAERP CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC001263904774 859233683 /nfs/dbraw/zinc/23/36/83/859233683.db2.gz COQCBPOAKMSGSF-ZMSDIMECSA-N 2 0 350.507 0.966 10 0 FCAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001263930650 859247084 /nfs/dbraw/zinc/24/70/84/859247084.db2.gz VPQXOOIWHBZYPU-YESZJQIVSA-N 2 0 371.547 0.782 10 0 FCAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001263930649 859247512 /nfs/dbraw/zinc/24/75/12/859247512.db2.gz VPQXOOIWHBZYPU-GVDBMIGSSA-N 2 0 371.547 0.782 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001263969946 859260732 /nfs/dbraw/zinc/26/07/32/859260732.db2.gz AHNJSPZNRNKSSF-RRFJBIMHSA-N 2 0 354.495 0.188 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001264100727 859312991 /nfs/dbraw/zinc/31/29/91/859312991.db2.gz FBXVPIYHTGHYMY-BBWFWOEESA-N 2 0 371.547 0.542 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CCCN2CCCC2=O)C2CC2)CC[N@@H+]1C ZINC001265356400 859458422 /nfs/dbraw/zinc/45/84/22/859458422.db2.gz MAOOZIWPDUBEHJ-OIISXLGYSA-N 2 0 350.507 0.824 10 0 FCAERP CCCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001265327230 859459134 /nfs/dbraw/zinc/45/91/34/859459134.db2.gz CXPSHIKUJHLHTF-OAGGEKHMSA-N 2 0 350.507 0.824 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)Nc2ccon2)CC[N@@H+]1C ZINC001267128946 859496390 /nfs/dbraw/zinc/49/63/90/859496390.db2.gz FUQQSCBPEYPEDT-MELADBBJSA-N 2 0 351.451 0.828 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001267581615 859510015 /nfs/dbraw/zinc/51/00/15/859510015.db2.gz BTEBKVCIBJJIKD-BZUAXINKSA-N 2 0 351.495 0.132 10 0 FCAERP CC(=O)NCCOCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267763581 859516410 /nfs/dbraw/zinc/51/64/10/859516410.db2.gz OAVKMIJMMFBMDW-HYVNUMGLSA-N 2 0 354.495 0.012 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCOCCO)CC[N@@H+]1C ZINC001272025926 860068124 /nfs/dbraw/zinc/06/81/24/860068124.db2.gz YXSHFKYEJQBSDR-XWTMOSNGSA-N 2 0 353.507 0.791 10 0 FCAERP C[C@H](C[NH2+]CCS(C)(=O)=O)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001274926237 860872745 /nfs/dbraw/zinc/87/27/45/860872745.db2.gz WAXTWXCRRFIBRG-OIISXLGYSA-N 2 0 367.515 0.471 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCOCC(F)F)C2)CC[N@@H+]1C ZINC001281119668 863488798 /nfs/dbraw/zinc/48/87/98/863488798.db2.gz BZYAWWYJWWCRGU-CKEIUWERSA-N 2 0 363.449 0.551 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCOCC(F)F)C2)CC[N@@H+]1C ZINC001281119669 863489098 /nfs/dbraw/zinc/48/90/98/863489098.db2.gz BZYAWWYJWWCRGU-CPUCHLNUSA-N 2 0 363.449 0.551 10 0 FCAERP CC(C)N(CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001281290701 863510805 /nfs/dbraw/zinc/51/08/05/863510805.db2.gz XINHNDKMJACQDH-IXDOHACOSA-N 2 0 352.523 0.974 10 0 FCAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001281615906 863541360 /nfs/dbraw/zinc/54/13/60/863541360.db2.gz ALXJARJIAFKSNE-DLBZAZTESA-N 2 0 350.507 0.873 10 0 FCAERP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)[NH+](C)C ZINC001281772156 863727822 /nfs/dbraw/zinc/72/78/22/863727822.db2.gz SISFXOTYXWEHSG-INMHGKMJSA-N 2 0 356.511 0.114 10 0 FCAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001282138826 864080287 /nfs/dbraw/zinc/08/02/87/864080287.db2.gz XEAUKHMLOUIEOQ-YESZJQIVSA-N 2 0 350.507 0.825 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001282274419 864158716 /nfs/dbraw/zinc/15/87/16/864158716.db2.gz SVUQEGGWLKFZKR-JKSUJKDBSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001282381636 864236784 /nfs/dbraw/zinc/23/67/84/864236784.db2.gz JXMJDEHTTBREFD-OAGGEKHMSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+](C)CCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001282449854 864266195 /nfs/dbraw/zinc/26/61/95/864266195.db2.gz FBPNOUNZHDWADC-JTDSTZFVSA-N 2 0 350.507 0.587 10 0 FCAERP COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001284415111 864560749 /nfs/dbraw/zinc/56/07/49/864560749.db2.gz BFHCPVWBIDNPLF-FVQBIDKESA-N 2 0 350.463 0.339 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1C ZINC001285375899 864625070 /nfs/dbraw/zinc/62/50/70/864625070.db2.gz ZCRZTOXLVCQLSW-YESZJQIVSA-N 2 0 352.523 0.975 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001285374292 864625346 /nfs/dbraw/zinc/62/53/46/864625346.db2.gz JKXBMPGHDRPBGX-DLBZAZTESA-N 2 0 352.523 0.975 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001289507429 865108094 /nfs/dbraw/zinc/10/80/94/865108094.db2.gz SJAACFMKSXFZIY-BZUAXINKSA-N 2 0 354.495 0.155 10 0 FCAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001289538376 865126236 /nfs/dbraw/zinc/12/62/36/865126236.db2.gz KMDIOBOKNQZHPO-OWCLPIDISA-N 2 0 354.495 0.155 10 0 FCAERP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@]2(C)C1)[NH+](C)C ZINC001290838206 865527847 /nfs/dbraw/zinc/52/78/47/865527847.db2.gz FRLRANPVIJGDMO-MDZRGWNJSA-N 2 0 352.523 0.975 10 0 FCAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001292812190 865754398 /nfs/dbraw/zinc/75/43/98/865754398.db2.gz YFQQFKRWOLPGOX-IAGOWNOFSA-N 2 0 350.507 0.873 10 0 FCAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001292812194 865754642 /nfs/dbraw/zinc/75/46/42/865754642.db2.gz YFQQFKRWOLPGOX-SJORKVTESA-N 2 0 350.507 0.873 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001299540625 866180860 /nfs/dbraw/zinc/18/08/60/866180860.db2.gz LVLGYWZMTPCBLZ-FRQCXROJSA-N 2 0 350.507 0.920 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001352845106 867273502 /nfs/dbraw/zinc/27/35/02/867273502.db2.gz KRMUVIDNEAFOAL-HRCADAONSA-N 2 0 354.495 0.012 10 0 FCAERP C[C@@H]1C[C@H]2CC[C@H](C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[NH+]43)C[N@@H+]2C1 ZINC001353379774 867411795 /nfs/dbraw/zinc/41/17/95/867411795.db2.gz JXWCEQXIAWNOPJ-OYNZLANYSA-N 2 0 351.491 0.449 10 0 FCAERP C[C@H]([NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001316717242 867416896 /nfs/dbraw/zinc/41/68/96/867416896.db2.gz OPFPRMNXZOSRIL-OWCLPIDISA-N 2 0 350.507 0.953 10 0 FCAERP C[C@@H]([NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001316717240 867417008 /nfs/dbraw/zinc/41/70/08/867417008.db2.gz OPFPRMNXZOSRIL-BZUAXINKSA-N 2 0 350.507 0.953 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001316756890 867454920 /nfs/dbraw/zinc/45/49/20/867454920.db2.gz KVVYMSIIOHMRBA-ZACQAIPSSA-N 2 0 350.507 0.635 10 0 FCAERP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001316756696 867455044 /nfs/dbraw/zinc/45/50/44/867455044.db2.gz IDRVJJZZSMCEPP-IKGGRYGDSA-N 2 0 350.507 0.728 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCCN2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001316958163 867511460 /nfs/dbraw/zinc/51/14/60/867511460.db2.gz OTMQHZOHKMUORN-KZNAEPCWSA-N 2 0 352.523 0.487 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCCN2CC[NH+](C[C@H](C)OC)CC2)CC[N@@H+]1C ZINC001316957372 867512808 /nfs/dbraw/zinc/51/28/08/867512808.db2.gz CLOSEHVNIIJGAU-OKZBNKHCSA-N 2 0 354.539 0.876 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCNC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001317109455 867520705 /nfs/dbraw/zinc/52/07/05/867520705.db2.gz NYZZHXASFRFLQN-APIJFGDWSA-N 2 0 353.511 0.661 10 0 FCAERP COCCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317108209 867520830 /nfs/dbraw/zinc/52/08/30/867520830.db2.gz AELCWWHMFQBNEJ-ZVDSWSACSA-N 2 0 354.495 0.105 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001321751563 868599234 /nfs/dbraw/zinc/59/92/34/868599234.db2.gz JXDOFCHFVQZNJY-CVEARBPZSA-N 2 0 354.495 0.156 10 0 FCAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC001322103045 868734779 /nfs/dbraw/zinc/73/47/79/868734779.db2.gz HJCMADJSKIBSEH-JKSUJKDBSA-N 2 0 354.495 0.014 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001324161113 869491529 /nfs/dbraw/zinc/49/15/29/869491529.db2.gz FKKDIOSSIYISCH-BRWVUGGUSA-N 2 0 350.507 0.920 10 0 FCAERP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001343990863 870696530 /nfs/dbraw/zinc/69/65/30/870696530.db2.gz ZUKVWEQWVIGXJK-BRWVUGGUSA-N 2 0 350.507 0.729 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001345024440 871152682 /nfs/dbraw/zinc/15/26/82/871152682.db2.gz QLTJIPFCBJXAAE-IKGGRYGDSA-N 2 0 350.507 0.728 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001328798659 871631172 /nfs/dbraw/zinc/63/11/72/871631172.db2.gz MQQJHOWUUGGMRL-HOTGVXAUSA-N 2 0 354.495 0.202 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001346176784 871685364 /nfs/dbraw/zinc/68/53/64/871685364.db2.gz HVEIUJJWXGKGJR-BRWVUGGUSA-N 2 0 352.523 0.879 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001346176786 871685677 /nfs/dbraw/zinc/68/56/77/871685677.db2.gz HVEIUJJWXGKGJR-IXDOHACOSA-N 2 0 352.523 0.879 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC001328963915 871744628 /nfs/dbraw/zinc/74/46/28/871744628.db2.gz QUYVRROOEUZFKL-LBPRGKRZSA-N 2 0 367.321 0.638 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001346579457 871915074 /nfs/dbraw/zinc/91/50/74/871915074.db2.gz PMETVQVKOOFWAX-QBPKDAKJSA-N 2 0 352.523 0.879 10 0 FCAERP Cc1nc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)sc1S(N)(=O)=O ZINC001329298454 871939687 /nfs/dbraw/zinc/93/96/87/871939687.db2.gz NAHXAXIIGIBZPJ-VXGBXAGGSA-N 2 0 361.537 0.275 10 0 FCAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CCNC(=O)NC(C)(C)C ZINC001329441722 872031648 /nfs/dbraw/zinc/03/16/48/872031648.db2.gz OXWTWDYJYYKERO-RBSFLKMASA-N 2 0 355.527 0.861 10 0 FCAERP C[C@H](O)[C@H]1C[N@H+](CC[Si](C)(C)CC[NH+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC001329823698 872286065 /nfs/dbraw/zinc/28/60/65/872286065.db2.gz CVEDOAYYCGHMDA-XLAORIBOSA-N 2 0 374.598 0.858 10 0 FCAERP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001348191333 872622523 /nfs/dbraw/zinc/62/25/23/872622523.db2.gz DPNBYZWFJDZBJV-DOTOQJQBSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@H]1C[N@H+](C)CCN1C ZINC001348265181 872650050 /nfs/dbraw/zinc/65/00/50/872650050.db2.gz UKEZKUODFGYWCQ-HZPDHXFCSA-N 2 0 353.511 0.127 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C[C@H]1C(F)(F)F ZINC001348822534 872802690 /nfs/dbraw/zinc/80/26/90/872802690.db2.gz WYLGEWNIYNEQMB-JHJVBQTASA-N 2 0 362.396 0.279 10 0 FCAERP CN(C[C@H]1CC1(C)C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001332057114 873353176 /nfs/dbraw/zinc/35/31/76/873353176.db2.gz NQMJDWLSSAZINU-BZUAXINKSA-N 2 0 352.523 0.689 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCOCC(F)(F)F)CC[N@@H+]1C ZINC001332519281 873542149 /nfs/dbraw/zinc/54/21/49/873542149.db2.gz ZXVHPHSLHRXXKH-FRRDWIJNSA-N 2 0 355.401 0.314 10 0 FCAERP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCOC[C@H](O)C1 ZINC000295085645 214277760 /nfs/dbraw/zinc/27/77/60/214277760.db2.gz BMRKZSAGJRRSFO-QFBILLFUSA-N 2 0 361.486 0.849 10 0 FCAERP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCOC[C@@H](O)C1 ZINC000295085644 214277814 /nfs/dbraw/zinc/27/78/14/214277814.db2.gz BMRKZSAGJRRSFO-LPHOPBHVSA-N 2 0 361.486 0.849 10 0 FCAERP CN1C[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1=O ZINC000265717988 210206801 /nfs/dbraw/zinc/20/68/01/210206801.db2.gz ZFYWPXJXFVBOQZ-INIZCTEOSA-N 2 0 374.489 0.514 10 0 FCAERP COc1c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cnn1C ZINC000411782649 237075084 /nfs/dbraw/zinc/07/50/84/237075084.db2.gz IKAHNOACRHEMEK-UHFFFAOYSA-N 2 0 358.446 0.766 10 0 FCAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262387987 209580459 /nfs/dbraw/zinc/58/04/59/209580459.db2.gz XOWNFIYNTCSILQ-KSZLIROESA-N 2 0 363.506 0.682 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3OCCC[C@H]3C2)C1 ZINC000246604977 209394122 /nfs/dbraw/zinc/39/41/22/209394122.db2.gz JDRAVMCXEQZQHI-RCCFBDPRSA-N 2 0 353.507 0.960 10 0 FCAERP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245895494 209377376 /nfs/dbraw/zinc/37/73/76/209377376.db2.gz PEWZOIYKDKGWEH-CABCVRRESA-N 2 0 361.490 0.800 10 0 FCAERP C[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)N1CCN(C)CC1 ZINC000369108316 216349230 /nfs/dbraw/zinc/34/92/30/216349230.db2.gz CBKXGZHATJKOLX-QZTJIDSGSA-N 2 0 351.539 0.251 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000369394542 216394245 /nfs/dbraw/zinc/39/42/45/216394245.db2.gz IDXPRMRZFNVWCP-QZTJIDSGSA-N 2 0 367.538 0.519 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC(C)([NH+](C)C)CC2)C1 ZINC000931349479 674109839 /nfs/dbraw/zinc/10/98/39/674109839.db2.gz ZYCTWQYGWVSZQW-KRWDZBQOSA-N 2 0 354.539 0.876 10 0 FCAERP CCN(C)C(=O)[C@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000187848239 209219997 /nfs/dbraw/zinc/21/99/97/209219997.db2.gz MRFNUXLMMNUQNB-PMRDEQMMSA-N 2 0 365.522 0.806 10 0 FCAERP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000415254566 245369137 /nfs/dbraw/zinc/36/91/37/245369137.db2.gz KUNNYZJDZGRNPA-MRXNPFEDSA-N 2 0 362.474 0.698 10 0 FCAERP Cc1cc(NC(=O)C(=O)NCCC[NH3+])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000415294567 245379386 /nfs/dbraw/zinc/37/93/86/245379386.db2.gz QISPUYDZESTSKQ-UHFFFAOYSA-N 2 0 361.490 0.929 10 0 FCAERP CC[C@@H](O)C[NH+]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000184975507 209170811 /nfs/dbraw/zinc/17/08/11/209170811.db2.gz CERYMXNDNZVKRM-RTBURBONSA-N 2 0 362.518 0.794 10 0 FCAERP CN1CCN(C(=O)CC[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000374775267 217171020 /nfs/dbraw/zinc/17/10/20/217171020.db2.gz HSROZQLSTXQJRR-GOSISDBHSA-N 3 0 351.539 0.252 10 0 FCAERP O=C1C[C@]2(CC[N@H+](CCCCCC[NH+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000375926239 217335616 /nfs/dbraw/zinc/33/56/16/217335616.db2.gz FAJOQKWXQQDYCL-BGYRXZFFSA-N 2 0 362.518 0.971 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419158819 246023181 /nfs/dbraw/zinc/02/31/81/246023181.db2.gz YJLLKFKFTZEGQQ-GDBMZVCRSA-N 2 0 362.474 0.357 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419136683 246011172 /nfs/dbraw/zinc/01/11/72/246011172.db2.gz PLGANQZYMODHEZ-KBAYOESNSA-N 2 0 358.486 0.881 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419149666 246016520 /nfs/dbraw/zinc/01/65/20/246016520.db2.gz FPNXGZKSUBUOQI-NZSAHSFTSA-N 2 0 372.513 0.781 10 0 FCAERP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419168919 246030808 /nfs/dbraw/zinc/03/08/08/246030808.db2.gz LNCJPVUSFRENTI-MOPGFXCFSA-N 2 0 372.513 0.926 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNC[C@@H]2c2cccnc2)C[N@@H+]1C1CC1 ZINC000419319353 246097140 /nfs/dbraw/zinc/09/71/40/246097140.db2.gz OMZRMIYPFRZPDF-FRFSOERESA-N 2 0 357.458 0.296 10 0 FCAERP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000419379079 246125448 /nfs/dbraw/zinc/12/54/48/246125448.db2.gz WILVUULVFCRHAF-GVDBMIGSSA-N 2 0 352.523 0.973 10 0 FCAERP CN(C)c1ncccc1CNC(=O)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000419390782 246128810 /nfs/dbraw/zinc/12/88/10/246128810.db2.gz JBGLKOHIDQADTF-INIZCTEOSA-N 2 0 368.441 0.332 10 0 FCAERP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000419407179 246139510 /nfs/dbraw/zinc/13/95/10/246139510.db2.gz JUSIAYSWUOYXIQ-HOTGVXAUSA-N 2 0 355.527 0.109 10 0 FCAERP CC[C@H](NC(=O)C(=O)NCCC[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419409201 246141815 /nfs/dbraw/zinc/14/18/15/246141815.db2.gz DVXWDWDQTNMGEM-IRXDYDNUSA-N 2 0 362.474 0.247 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000419440873 246165270 /nfs/dbraw/zinc/16/52/70/246165270.db2.gz LNEYKTXWGHYBND-JKSUJKDBSA-N 2 0 356.511 0.584 10 0 FCAERP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000419494414 246181339 /nfs/dbraw/zinc/18/13/39/246181339.db2.gz PJYNZMODTCBLPC-GVDBMIGSSA-N 2 0 356.511 0.584 10 0 FCAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419696922 246254670 /nfs/dbraw/zinc/25/46/70/246254670.db2.gz VVZAWLQGWXICNG-GJZGRUSLSA-N 2 0 368.547 0.578 10 0 FCAERP CCN1C[C@H](C)N(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C[C@@H]1C ZINC000419851714 246322243 /nfs/dbraw/zinc/32/22/43/246322243.db2.gz PAQOOFCLTURKEM-HOTGVXAUSA-N 2 0 361.490 0.619 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H](n3ccnn3)C2)C1 ZINC000425498840 247345410 /nfs/dbraw/zinc/34/54/10/247345410.db2.gz HLENOJFZDWDNNH-IAGOWNOFSA-N 2 0 364.494 0.388 10 0 FCAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441177702 248240521 /nfs/dbraw/zinc/24/05/21/248240521.db2.gz BMEJTWXKEGSKDU-QRVBRYPASA-N 2 0 364.534 0.913 10 0 FCAERP CCn1cnc(S(=O)(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000474083983 250270071 /nfs/dbraw/zinc/27/00/71/250270071.db2.gz RDGYUSYKERCZCT-HNNXBMFYSA-N 2 0 357.524 0.940 10 0 FCAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000481745485 250353171 /nfs/dbraw/zinc/35/31/71/250353171.db2.gz SGZKZYUFEAEAPH-VYDXJSESSA-N 2 0 350.507 0.918 10 0 FCAERP COC(=O)[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+](C)C1 ZINC000413325866 532991087 /nfs/dbraw/zinc/99/10/87/532991087.db2.gz UUUZBWJDPXMYBQ-WZYMTQMTSA-N 2 0 352.479 0.748 10 0 FCAERP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128060 208214909 /nfs/dbraw/zinc/21/49/09/208214909.db2.gz RKYWYMWVXNTJTM-YOEHRIQHSA-N 2 0 362.474 0.947 10 0 FCAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)C1 ZINC000117470125 208345104 /nfs/dbraw/zinc/34/51/04/208345104.db2.gz FTSVECNIXMMZRH-SFHVURJKSA-N 2 0 367.538 0.517 10 0 FCAERP CC(C)COC1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000569788823 491192033 /nfs/dbraw/zinc/19/20/33/491192033.db2.gz VARDGGHXAYUSAS-UHFFFAOYSA-N 2 0 370.538 0.602 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000182823149 488390061 /nfs/dbraw/zinc/39/00/61/488390061.db2.gz XDZFOYTUBQGDTB-KRWDZBQOSA-N 2 0 355.527 0.376 10 0 FCAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000245721396 488465890 /nfs/dbraw/zinc/46/58/90/488465890.db2.gz AUCJTRGANDWWRQ-QBPKDAKJSA-N 2 0 350.507 0.728 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000247261166 488483560 /nfs/dbraw/zinc/48/35/60/488483560.db2.gz FIKKIORJSAVYEU-MSOLQXFVSA-N 2 0 354.539 0.876 10 0 FCAERP CC[C@@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1C[C@H](C)O ZINC000247295313 488484560 /nfs/dbraw/zinc/48/45/60/488484560.db2.gz HOXKCFXQTYXUTI-LSDHHAIUSA-N 2 0 352.483 0.754 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000247646501 488489002 /nfs/dbraw/zinc/48/90/02/488489002.db2.gz VGKWBUHROAWDNR-SJLPKXTDSA-N 2 0 368.522 0.992 10 0 FCAERP CC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC[N@@H+]1C[C@H](C)O ZINC000248451326 488496629 /nfs/dbraw/zinc/49/66/29/488496629.db2.gz JQTHFWDZSJGGKX-KSZLIROESA-N 2 0 370.538 0.830 10 0 FCAERP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000248926720 488504411 /nfs/dbraw/zinc/50/44/11/488504411.db2.gz FZPFFDCBBSBBBC-SJLPKXTDSA-N 2 0 363.506 0.905 10 0 FCAERP C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)CC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000249126413 488507118 /nfs/dbraw/zinc/50/71/18/488507118.db2.gz CJIMSCLGGTUEIL-BRWVUGGUSA-N 2 0 359.536 0.986 10 0 FCAERP C[N@H+](CCN1CCN(C(=O)C2([NH3+])CCOCC2)CC1)Cc1ccccc1 ZINC000261698429 488531470 /nfs/dbraw/zinc/53/14/70/488531470.db2.gz DPLLWECBRWTOGX-UHFFFAOYSA-N 2 0 360.502 0.771 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000111812437 488531633 /nfs/dbraw/zinc/53/16/33/488531633.db2.gz LSQPFPIDYLVCBK-ZWKOTPCHSA-N 2 0 369.554 0.668 10 0 FCAERP CN1CCC(CNC(=O)[C@H]([NH3+])C2CCOCC2)([NH+]2CCCCC2)CC1 ZINC000261716005 488532495 /nfs/dbraw/zinc/53/24/95/488532495.db2.gz IYTBLODDJMMJOR-QGZVFWFLSA-N 3 0 352.523 0.807 10 0 FCAERP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261951802 488543046 /nfs/dbraw/zinc/54/30/46/488543046.db2.gz KECBWGYCYCQUJQ-QGZVFWFLSA-N 2 0 368.522 0.483 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1=O ZINC000262024276 488546454 /nfs/dbraw/zinc/54/64/54/488546454.db2.gz OZGVAYQWPYCJAC-ARFHVFGLSA-N 2 0 350.507 0.905 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000118124664 488553402 /nfs/dbraw/zinc/55/34/02/488553402.db2.gz SPHHIIDPYFDETQ-QGZVFWFLSA-N 2 0 362.474 0.914 10 0 FCAERP COc1cccc([C@@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)N(C)C)c1 ZINC000562985240 491206113 /nfs/dbraw/zinc/20/61/13/491206113.db2.gz KPJRZQJNUMMCMW-IEBWSBKVSA-N 2 0 350.507 0.496 10 0 FCAERP CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000562997540 491206764 /nfs/dbraw/zinc/20/67/64/491206764.db2.gz UUFPFBJRMYZDHE-IRXDYDNUSA-N 2 0 369.531 0.437 10 0 FCAERP CC[NH+]1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000125198465 488598494 /nfs/dbraw/zinc/59/84/94/488598494.db2.gz VNOMPGXUXPNSPW-HXUWFJFHSA-N 2 0 374.529 0.897 10 0 FCAERP Cn1cccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1=O ZINC000264234951 488656820 /nfs/dbraw/zinc/65/68/20/488656820.db2.gz NFIGBGWLKJXRSC-UHFFFAOYSA-N 2 0 355.442 0.722 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000133677136 488660923 /nfs/dbraw/zinc/66/09/23/488660923.db2.gz PPPKXDCCQNIOCX-MRXNPFEDSA-N 2 0 372.473 0.802 10 0 FCAERP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000171386252 488822904 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ZINC000647557901 492305980 /nfs/dbraw/zinc/30/59/80/492305980.db2.gz LEPLEKRQGDGISG-INIZCTEOSA-N 2 0 364.490 0.006 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000647561877 492309939 /nfs/dbraw/zinc/30/99/39/492309939.db2.gz IGCBKTKAVCBCMN-CVEARBPZSA-N 2 0 366.506 0.251 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627476168 492314142 /nfs/dbraw/zinc/31/41/42/492314142.db2.gz BOQHDYNJEIATTQ-JKSUJKDBSA-N 2 0 366.506 0.347 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C[NH2+]1 ZINC000627477342 492315071 /nfs/dbraw/zinc/31/50/71/492315071.db2.gz UYXJQZYBIICAJR-ZBFHGGJFSA-N 2 0 366.506 0.250 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C[NH2+]1 ZINC000627478998 492315617 /nfs/dbraw/zinc/31/56/17/492315617.db2.gz UOKXNSGNJJJWFP-UHOFOFEASA-N 2 0 350.438 0.801 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C[NH2+]1 ZINC000627478996 492315823 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C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000642928885 492404650 /nfs/dbraw/zinc/40/46/50/492404650.db2.gz LBBQAPRCKHQPHV-ZWKOTPCHSA-N 2 0 358.486 0.978 10 0 FCAERP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000643483975 492478111 /nfs/dbraw/zinc/47/81/11/492478111.db2.gz XGZUYRXYKRFNQM-CGTJXYLNSA-N 2 0 374.485 0.294 10 0 FCAERP [NH3+]C[C@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C(F)(F)F ZINC000655925894 492489497 /nfs/dbraw/zinc/48/94/97/492489497.db2.gz GKGHUXRWFXICBT-NSHDSACASA-N 2 0 353.389 0.167 10 0 FCAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)CC2 ZINC000643525923 492491165 /nfs/dbraw/zinc/49/11/65/492491165.db2.gz IPCLAROLADQRMO-LVQVYYBASA-N 2 0 352.479 0.035 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000655970692 492499706 /nfs/dbraw/zinc/49/97/06/492499706.db2.gz KIIXISDZEGGGEJ-NCOADZHNSA-N 2 0 365.522 0.616 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000655967517 492500078 /nfs/dbraw/zinc/50/00/78/492500078.db2.gz XOBRQCXYCHPRTO-FRRDWIJNSA-N 2 0 351.417 0.462 10 0 FCAERP C[C@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655970675 492500095 /nfs/dbraw/zinc/50/00/95/492500095.db2.gz KCLPWASYAGQLIR-BIYBGRMPSA-N 2 0 364.494 0.354 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000656062054 492526459 /nfs/dbraw/zinc/52/64/59/492526459.db2.gz FTNRJGCFVYNEOH-WOVMCDHWSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656069749 492531658 /nfs/dbraw/zinc/53/16/58/492531658.db2.gz OHJUZMIKAAQGDF-LJIGWXMPSA-N 2 0 366.506 0.295 10 0 FCAERP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656084640 492545774 /nfs/dbraw/zinc/54/57/74/492545774.db2.gz ZTZJZBQKVHYHHR-HRCADAONSA-N 2 0 368.522 0.589 10 0 FCAERP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCN(c2ncccn2)CC1 ZINC000649415206 492552469 /nfs/dbraw/zinc/55/24/69/492552469.db2.gz PFYGTMXTABYWQG-ROUUACIJSA-N 2 0 372.517 0.979 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000656286152 492570582 /nfs/dbraw/zinc/57/05/82/492570582.db2.gz LHYSCEZSNCINMF-KURKYZTESA-N 2 0 358.486 0.834 10 0 FCAERP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656302976 492579134 /nfs/dbraw/zinc/57/91/34/492579134.db2.gz OBLMNYDSGSKOQZ-QXSJWSMHSA-N 2 0 356.511 0.447 10 0 FCAERP C[C@@H](CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656340167 492602631 /nfs/dbraw/zinc/60/26/31/492602631.db2.gz NXGNVDNBQCEELD-CGLCSIQHSA-N 2 0 368.522 0.589 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1=O ZINC000650551403 492648799 /nfs/dbraw/zinc/64/87/99/492648799.db2.gz UOQWXFVXLITIOU-UHFFFAOYSA-N 2 0 353.511 0.711 10 0 FCAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650645367 492658644 /nfs/dbraw/zinc/65/86/44/492658644.db2.gz OKNQEYBVETVBRF-IAGOWNOFSA-N 2 0 367.538 0.770 10 0 FCAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650730864 492664962 /nfs/dbraw/zinc/66/49/62/492664962.db2.gz JLMVJWACMREFBJ-JKSUJKDBSA-N 2 0 353.511 0.522 10 0 FCAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650736778 492665166 /nfs/dbraw/zinc/66/51/66/492665166.db2.gz YALLBZSEXAYHQB-BRWVUGGUSA-N 2 0 367.538 0.768 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000629787817 492671745 /nfs/dbraw/zinc/67/17/45/492671745.db2.gz LOWCMGZLLVHFBP-UHFFFAOYSA-N 2 0 354.495 0.158 10 0 FCAERP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629792320 492673468 /nfs/dbraw/zinc/67/34/68/492673468.db2.gz KQHJCVUDCGXICV-KDURUIRLSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C2 ZINC000629792530 492673498 /nfs/dbraw/zinc/67/34/98/492673498.db2.gz RSBQUDJCJBTLGK-FFZOFVMBSA-N 2 0 362.518 0.921 10 0 FCAERP COC1CCN(S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000657071131 492709184 /nfs/dbraw/zinc/70/91/84/492709184.db2.gz GOZURBFDBFEYFM-AWEZNQCLSA-N 2 0 350.529 0.204 10 0 FCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000625406167 492775814 /nfs/dbraw/zinc/77/58/14/492775814.db2.gz QILNUPIUHWDYNW-NVXWUHKLSA-N 2 0 350.507 0.920 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000644525773 492781367 /nfs/dbraw/zinc/78/13/67/492781367.db2.gz GUABBZWPBSEVTN-LJQANCHMSA-N 2 0 360.502 0.507 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000644521021 492781719 /nfs/dbraw/zinc/78/17/19/492781719.db2.gz RUGWFZZMAFSKQV-CQSZACIVSA-N 2 0 362.396 0.721 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000644587675 492788755 /nfs/dbraw/zinc/78/87/55/492788755.db2.gz CYWLTKAYXQODFX-ZDUSSCGKSA-N 2 0 373.400 0.715 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000625466438 492789273 /nfs/dbraw/zinc/78/92/73/492789273.db2.gz SXJJUZMNDFHJPR-KRWDZBQOSA-N 3 0 367.538 0.071 10 0 FCAERP CN(C(=O)C1(N2CCOCC2)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000631246917 492806413 /nfs/dbraw/zinc/80/64/13/492806413.db2.gz LNWFEAWDGRLVCG-QGZVFWFLSA-N 2 0 350.507 0.478 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000645149561 492873081 /nfs/dbraw/zinc/87/30/81/492873081.db2.gz OVNNPYQDHOETCD-AWEZNQCLSA-N 2 0 351.495 0.622 10 0 FCAERP CC[C@@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000631912238 492878108 /nfs/dbraw/zinc/87/81/08/492878108.db2.gz YTJAVBSUJOFJDS-ROUUACIJSA-N 2 0 367.515 0.731 10 0 FCAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631920261 492885192 /nfs/dbraw/zinc/88/51/92/492885192.db2.gz VSIOAZXZMLDHCR-IXDOHACOSA-N 2 0 359.536 0.891 10 0 FCAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000645272583 492886608 /nfs/dbraw/zinc/88/66/08/492886608.db2.gz JGKOOESDYIVYAL-HZPDHXFCSA-N 2 0 353.511 0.726 10 0 FCAERP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000631952546 492896817 /nfs/dbraw/zinc/89/68/17/492896817.db2.gz LMPCSNFAAMASNJ-SJORKVTESA-N 2 0 370.494 0.871 10 0 FCAERP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658454885 492900358 /nfs/dbraw/zinc/90/03/58/492900358.db2.gz JKCFZCNDHKFKPR-QGZVFWFLSA-N 2 0 370.538 0.602 10 0 FCAERP COc1ccc(COCC(=O)NCCN2CCC([NH+](C)C)CC2)cn1 ZINC000625993882 492911778 /nfs/dbraw/zinc/91/17/78/492911778.db2.gz OBBXXYZSGIMBJK-UHFFFAOYSA-N 2 0 350.463 0.749 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000658529653 492930703 /nfs/dbraw/zinc/93/07/03/492930703.db2.gz FSQJYEUPUJQFJX-CVEARBPZSA-N 2 0 354.495 0.108 10 0 FCAERP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000658576757 492964571 /nfs/dbraw/zinc/96/45/71/492964571.db2.gz JOEOXANYHKEKFR-MRXNPFEDSA-N 2 0 368.522 0.281 10 0 FCAERP CCO[C@@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[C@H]1C[NH3+] ZINC000652581058 492969556 /nfs/dbraw/zinc/96/95/56/492969556.db2.gz MNFOXKHZJRNMQR-GDBMZVCRSA-N 2 0 363.462 0.675 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cn1 ZINC000652612437 492970937 /nfs/dbraw/zinc/97/09/37/492970937.db2.gz ROFWRIKUNBIDGZ-UHFFFAOYSA-N 2 0 363.510 0.783 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000658605976 492978514 /nfs/dbraw/zinc/97/85/14/492978514.db2.gz JNPYOEYSBLHOCF-UHFFFAOYSA-N 2 0 352.504 0.658 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000645835196 492981221 /nfs/dbraw/zinc/98/12/21/492981221.db2.gz KLTXLWHFGVPEGL-CQSZACIVSA-N 2 0 368.503 0.489 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC000658624379 492985100 /nfs/dbraw/zinc/98/51/00/492985100.db2.gz NBIRMVLUNBHUGG-BRWVUGGUSA-N 2 0 368.522 0.497 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000652684391 492989749 /nfs/dbraw/zinc/98/97/49/492989749.db2.gz MTQRWLAWCLFJHF-KRWDZBQOSA-N 2 0 358.486 0.870 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000652683422 492989806 /nfs/dbraw/zinc/98/98/06/492989806.db2.gz NNIUZIRGFGLYNO-GVDBMIGSSA-N 2 0 368.522 0.579 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000658649629 492991117 /nfs/dbraw/zinc/99/11/17/492991117.db2.gz SNIQZYSNNFBNFA-UHFFFAOYSA-N 2 0 366.506 0.110 10 0 FCAERP CN(C(=O)C(=O)NCCC1(C[NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000652711761 492997464 /nfs/dbraw/zinc/99/74/64/492997464.db2.gz AAACCGRPGKBSQV-KRWDZBQOSA-N 2 0 358.486 0.965 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000632439143 492998086 /nfs/dbraw/zinc/99/80/86/492998086.db2.gz NUZMXZJKIORWHC-UHFFFAOYSA-N 2 0 351.476 0.391 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000652719804 493002035 /nfs/dbraw/zinc/00/20/35/493002035.db2.gz NCUYWBPSZIQJOR-MSOLQXFVSA-N 2 0 358.486 0.965 10 0 FCAERP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658689754 493008585 /nfs/dbraw/zinc/00/85/85/493008585.db2.gz NMDXJCOUGBNUGY-MRXNPFEDSA-N 2 0 354.495 0.108 10 0 FCAERP C[NH+](C)CCCS(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000632550220 493027229 /nfs/dbraw/zinc/02/72/29/493027229.db2.gz SHORAHYGEVDWCP-KRWDZBQOSA-N 2 0 355.504 0.624 10 0 FCAERP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)cccc21 ZINC000626882421 493048835 /nfs/dbraw/zinc/04/88/35/493048835.db2.gz KZXRDPZBSJSDNK-IUODEOHRSA-N 2 0 362.430 0.115 10 0 FCAERP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000653046216 493063949 /nfs/dbraw/zinc/06/39/49/493063949.db2.gz OJGSWWRAQSZIAA-HUUCEWRRSA-N 2 0 352.460 0.393 10 0 FCAERP CCN(C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658807702 493064086 /nfs/dbraw/zinc/06/40/86/493064086.db2.gz QUWKXNIMJRAVML-OAHLLOKOSA-N 2 0 354.495 0.108 10 0 FCAERP CCN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000658820405 493068575 /nfs/dbraw/zinc/06/85/75/493068575.db2.gz DGOUVZHWZKUVAV-DLBZAZTESA-N 2 0 368.522 0.498 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC000626953017 493070011 /nfs/dbraw/zinc/07/00/11/493070011.db2.gz LAEKXEZTZCXUHU-UHFFFAOYSA-N 2 0 362.478 0.141 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C[NH2+]1 ZINC000626965723 493071145 /nfs/dbraw/zinc/07/11/45/493071145.db2.gz LHIOVFPOYURYGF-YOEHRIQHSA-N 2 0 361.490 0.918 10 0 FCAERP C[NH+](C)CCOc1ccc(CCNC(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC000626970424 493072077 /nfs/dbraw/zinc/07/20/77/493072077.db2.gz NXWLCFXSIBVYNS-UHFFFAOYSA-N 2 0 364.490 0.977 10 0 FCAERP C[NH2+]CCOCCNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000626971875 493072237 /nfs/dbraw/zinc/07/22/37/493072237.db2.gz UBSYXVFUKLKVOQ-UHFFFAOYSA-N 2 0 356.511 0.945 10 0 FCAERP O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000653119511 493074170 /nfs/dbraw/zinc/07/41/70/493074170.db2.gz MBMVEQGSIYHAHA-JXFKEZNVSA-N 2 0 372.469 0.687 10 0 FCAERP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653124976 493076578 /nfs/dbraw/zinc/07/65/78/493076578.db2.gz NYHARDQSSLUJHG-FPOVZHCZSA-N 2 0 372.513 0.547 10 0 FCAERP C[C@@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C(C)(C)C[NH+](C)C ZINC000626996954 493077741 /nfs/dbraw/zinc/07/77/41/493077741.db2.gz KDBPNGPMBHGIFH-OAHLLOKOSA-N 2 0 368.526 0.315 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000627002180 493078543 /nfs/dbraw/zinc/07/85/43/493078543.db2.gz OBANOYMLUAMAOU-IAGOWNOFSA-N 2 0 356.511 0.632 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C2 ZINC000627091217 493086265 /nfs/dbraw/zinc/08/62/65/493086265.db2.gz KRNDLJYDIPXMKY-YUELXQCFSA-N 2 0 363.428 0.464 10 0 FCAERP COCC1(CNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[NH2+]CC1 ZINC000627091083 493086767 /nfs/dbraw/zinc/08/67/67/493086767.db2.gz HJVCCYLSNUZQLD-UHFFFAOYSA-N 2 0 368.522 0.899 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000627115756 493089927 /nfs/dbraw/zinc/08/99/27/493089927.db2.gz XGWGPCIHJTZNAE-NJAFHUGGSA-N 2 0 362.474 0.507 10 0 FCAERP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627127515 493092258 /nfs/dbraw/zinc/09/22/58/493092258.db2.gz FUTFKCGUIOSMBB-MSOLQXFVSA-N 2 0 358.486 0.989 10 0 FCAERP CN(C(=O)NCC1([NH3+])CCOCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627150483 493096400 /nfs/dbraw/zinc/09/64/00/493096400.db2.gz LSDSDOQDIVYINP-MRXNPFEDSA-N 3 0 353.511 0.304 10 0 FCAERP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000627175532 493100484 /nfs/dbraw/zinc/10/04/84/493100484.db2.gz UBJGVMQXBDOVKX-ZWKOTPCHSA-N 2 0 364.490 0.405 10 0 FCAERP 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493126673 /nfs/dbraw/zinc/12/66/73/493126673.db2.gz NTUABBSDZPAASD-HUUCEWRRSA-N 2 0 352.479 0.038 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000633117638 493133054 /nfs/dbraw/zinc/13/30/54/493133054.db2.gz JRRFEDSDMGLRPC-UHFFFAOYSA-N 2 0 368.522 0.676 10 0 FCAERP O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659072010 493138872 /nfs/dbraw/zinc/13/88/72/493138872.db2.gz VKJNBECIKFWITJ-KRWDZBQOSA-N 2 0 360.458 0.888 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccccc1 ZINC000627297318 493138985 /nfs/dbraw/zinc/13/89/85/493138985.db2.gz HJWZLFIWWBVQJB-BBWFWOEESA-N 2 0 356.470 0.949 10 0 FCAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659071092 493139100 /nfs/dbraw/zinc/13/91/00/493139100.db2.gz FMSQPYCKCYLXQR-KSSFIOAISA-N 2 0 372.469 0.887 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659074675 493140835 /nfs/dbraw/zinc/14/08/35/493140835.db2.gz 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CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627323688 493153117 /nfs/dbraw/zinc/15/31/17/493153117.db2.gz CFUDKCPNHTYHOR-KDURUIRLSA-N 2 0 350.507 0.681 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627328963 493156349 /nfs/dbraw/zinc/15/63/49/493156349.db2.gz UWRGHUIJXUSTEB-HNNXBMFYSA-N 2 0 354.495 0.095 10 0 FCAERP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cccc21 ZINC000659109141 493157726 /nfs/dbraw/zinc/15/77/26/493157726.db2.gz ZFGFSAADOYGPAI-UMVBOHGHSA-N 2 0 364.421 0.908 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000627334496 493158738 /nfs/dbraw/zinc/15/87/38/493158738.db2.gz SJHOUNIDLPMXPS-MRXNPFEDSA-N 2 0 354.495 0.252 10 0 FCAERP [NH3+]CCCOCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627337024 493159475 /nfs/dbraw/zinc/15/94/75/493159475.db2.gz QOWGUBJWAMJZSP-QGZVFWFLSA-N 2 0 362.474 0.249 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627336562 493159938 /nfs/dbraw/zinc/15/99/38/493159938.db2.gz DGDAOOZSBRNERL-QGZVFWFLSA-N 2 0 374.485 0.391 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[NH2+]1 ZINC000627338674 493161366 /nfs/dbraw/zinc/16/13/66/493161366.db2.gz MVKRFNZEIHJXQN-GOEBONIOSA-N 2 0 359.474 0.419 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC1CC[NH+](C3CCCC3)CC1)C2 ZINC000627344887 493164912 /nfs/dbraw/zinc/16/49/12/493164912.db2.gz USKXBGPCKDQJPF-BGYRXZFFSA-N 2 0 362.518 0.968 10 0 FCAERP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647170727 493174475 /nfs/dbraw/zinc/17/44/75/493174475.db2.gz LOVZFFBALQSPMR-UHFFFAOYSA-N 2 0 358.483 0.589 10 0 FCAERP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627357044 493174939 /nfs/dbraw/zinc/17/49/39/493174939.db2.gz WHBNIWATWHCOHG-CWLKWCNXSA-N 2 0 358.486 0.880 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1 ZINC000627357740 493174952 /nfs/dbraw/zinc/17/49/52/493174952.db2.gz OQICTJQXTCBIDY-CVEARBPZSA-N 2 0 362.449 0.945 10 0 FCAERP C[N@H+](CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1)C1CCCCC1 ZINC000627357595 493175081 /nfs/dbraw/zinc/17/50/81/493175081.db2.gz KJZMGRWKHVTJEG-UHFFFAOYSA-N 2 0 354.495 0.381 10 0 FCAERP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653828414 493186867 /nfs/dbraw/zinc/18/68/67/493186867.db2.gz NNAFYLIXQJKBAL-RSPOEFSDSA-N 2 0 372.513 0.516 10 0 FCAERP CC(C)(CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C[NH+]1CCCC1 ZINC000627381752 493191204 /nfs/dbraw/zinc/19/12/04/493191204.db2.gz AMEDVQHSHKHVGB-KDURUIRLSA-N 2 0 350.507 0.683 10 0 FCAERP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627383157 493192221 /nfs/dbraw/zinc/19/22/21/493192221.db2.gz UDYZOSBUOXKVMN-PNESKVBLSA-N 2 0 362.396 0.386 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]2COCC[NH2+]2)cc1F ZINC000659357313 493198545 /nfs/dbraw/zinc/19/85/45/493198545.db2.gz XFGJFHDJLGUENJ-YCPHGPKFSA-N 2 0 351.422 0.775 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000627394108 493200502 /nfs/dbraw/zinc/20/05/02/493200502.db2.gz XMXQQTXIQHJCTM-JKSUJKDBSA-N 2 0 350.438 0.630 10 0 FCAERP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000627415642 493209064 /nfs/dbraw/zinc/20/90/64/493209064.db2.gz VMYFVGXHJKKHRZ-UHFFFAOYSA-N 2 0 368.522 0.724 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000627420279 493210205 /nfs/dbraw/zinc/21/02/05/493210205.db2.gz DAMDDNKEHXIQNP-HZPDHXFCSA-N 2 0 366.506 0.333 10 0 FCAERP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000627425719 493213447 /nfs/dbraw/zinc/21/34/47/493213447.db2.gz XXWSLGKSQZXWAJ-KBXIAJHMSA-N 2 0 352.479 0.001 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000659587789 493216949 /nfs/dbraw/zinc/21/69/49/493216949.db2.gz IEEOMNONXBSWLW-MGHWNKPDSA-N 2 0 362.474 0.898 10 0 FCAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000659626074 493222013 /nfs/dbraw/zinc/22/20/13/493222013.db2.gz CRSRDJWHLYQSBP-MRXNPFEDSA-N 2 0 353.511 0.713 10 0 FCAERP CCc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000659675037 493245570 /nfs/dbraw/zinc/24/55/70/493245570.db2.gz QJMWBWFSIOIXHE-BRWVUGGUSA-N 2 0 364.465 0.866 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000666980484 493245663 /nfs/dbraw/zinc/24/56/63/493245663.db2.gz ZFRZQWBBTZYRPM-MSOLQXFVSA-N 2 0 368.522 0.992 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[C@H]1F ZINC000659675818 493245853 /nfs/dbraw/zinc/24/58/53/493245853.db2.gz YKOWWSUNQVLBGT-MCIONIFRSA-N 2 0 368.478 0.899 10 0 FCAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659680728 493248088 /nfs/dbraw/zinc/24/80/88/493248088.db2.gz JWZPKBVGTZLSMS-BYNSBNAKSA-N 2 0 356.486 0.757 10 0 FCAERP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659685558 493252805 /nfs/dbraw/zinc/25/28/05/493252805.db2.gz RXZZUXHFHJHZBG-UHFFFAOYSA-N 2 0 370.497 0.883 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000659690416 493255588 /nfs/dbraw/zinc/25/55/88/493255588.db2.gz UNOGPROSKUTBFY-QGZVFWFLSA-N 2 0 361.490 0.652 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CCC1 ZINC000659693759 493256941 /nfs/dbraw/zinc/25/69/41/493256941.db2.gz KHIOIJMRZNJOGK-INIZCTEOSA-N 2 0 350.507 0.825 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)[N@H+](C)C1CC1 ZINC000659702285 493262792 /nfs/dbraw/zinc/26/27/92/493262792.db2.gz ODFDDSBZEPPKNN-GOEBONIOSA-N 2 0 350.507 0.824 10 0 FCAERP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000659703921 493263546 /nfs/dbraw/zinc/26/35/46/493263546.db2.gz HULUTJHFZQXXDZ-UHFFFAOYSA-N 2 0 374.485 0.583 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659704736 493263621 /nfs/dbraw/zinc/26/36/21/493263621.db2.gz SMEHGTRCXVANBP-KRWDZBQOSA-N 2 0 368.522 0.309 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000659706284 493264347 /nfs/dbraw/zinc/26/43/47/493264347.db2.gz KLSYTDGRLWSPKI-UHFFFAOYSA-N 2 0 356.470 0.717 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000672901463 493264564 /nfs/dbraw/zinc/26/45/64/493264564.db2.gz QMHRRYNYCPYQEV-ZWKOTPCHSA-N 2 0 352.523 0.774 10 0 FCAERP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[N@@H+]1Cc1ccccc1 ZINC000659707584 493265421 /nfs/dbraw/zinc/26/54/21/493265421.db2.gz YINOXIQOZZLUJX-UVYBKSOCSA-N 2 0 356.470 0.715 10 0 FCAERP O=C(NCC1CC[NH+](C2CCOCC2)CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000659712449 493267700 /nfs/dbraw/zinc/26/77/00/493267700.db2.gz FAGYDSGAZIBNKH-INIZCTEOSA-N 2 0 366.506 0.252 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000659713944 493268425 /nfs/dbraw/zinc/26/84/25/493268425.db2.gz RUHWKLFUCUEVLR-IAGOWNOFSA-N 2 0 362.474 0.372 10 0 FCAERP O=C(NCC1CC[NH+](C2CCOCC2)CC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000659715777 493268888 /nfs/dbraw/zinc/26/88/88/493268888.db2.gz ZUINDSSWUQAOLY-INIZCTEOSA-N 2 0 366.506 0.252 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000659716274 493269645 /nfs/dbraw/zinc/26/96/45/493269645.db2.gz VXLYCTSZVCXJEO-JYJNAYRXSA-N 2 0 354.495 0.060 10 0 FCAERP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659727708 493275332 /nfs/dbraw/zinc/27/53/32/493275332.db2.gz KPADOVDGMCQSLM-KGLIPLIRSA-N 2 0 354.495 0.236 10 0 FCAERP Cn1cc(CCC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000667680238 493296167 /nfs/dbraw/zinc/29/61/67/493296167.db2.gz APXXVGFNAOAOAI-UHFFFAOYSA-N 2 0 357.462 0.471 10 0 FCAERP CC1[C@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000668023031 493315169 /nfs/dbraw/zinc/31/51/69/493315169.db2.gz WIWKPBTUIRLJSN-XSLAGTTESA-N 2 0 364.534 0.974 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000668512066 493367729 /nfs/dbraw/zinc/36/77/29/493367729.db2.gz NJOYQRMLMJGZHW-HNNXBMFYSA-N 2 0 354.495 0.204 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000668537291 493372825 /nfs/dbraw/zinc/37/28/25/493372825.db2.gz DYBFRJUEPBYOAF-MRXNPFEDSA-N 2 0 350.507 0.966 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000668549300 493374843 /nfs/dbraw/zinc/37/48/43/493374843.db2.gz WWHNONRPRUYMBK-RDJZCZTQSA-N 2 0 366.506 0.156 10 0 FCAERP C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000684177230 493399284 /nfs/dbraw/zinc/39/92/84/493399284.db2.gz YXJXLELKDGTLFU-OAQYLSRUSA-N 2 0 374.529 0.963 10 0 FCAERP CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000668733615 493403720 /nfs/dbraw/zinc/40/37/20/493403720.db2.gz ZWBRHWJCFPTCQA-KRWDZBQOSA-N 2 0 360.506 0.965 10 0 FCAERP c1cn(C[C@@H]2CC[NH+](CCCC[N@@H+]3CC[C@@H](Cn4ccnn4)C3)C2)nn1 ZINC000661146499 493412854 /nfs/dbraw/zinc/41/28/54/493412854.db2.gz UCLKNZIQXATEOJ-QZTJIDSGSA-N 2 0 358.494 0.994 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[N@H+](C)C1CC1 ZINC000668796690 493412975 /nfs/dbraw/zinc/41/29/75/493412975.db2.gz ZRWCRSPPLFSWLW-GOEBONIOSA-N 2 0 354.495 0.155 10 0 FCAERP COC[C@@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CCOCC1 ZINC000661159089 493414338 /nfs/dbraw/zinc/41/43/38/493414338.db2.gz DPZFGXGQZFRALB-QZTJIDSGSA-N 2 0 371.522 0.491 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCO1 ZINC000668826516 493416079 /nfs/dbraw/zinc/41/60/79/493416079.db2.gz DSXKLTLNKSKNDO-SJORKVTESA-N 2 0 366.506 0.156 10 0 FCAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668934406 493440377 /nfs/dbraw/zinc/44/03/77/493440377.db2.gz NAWHHBACVRUWEX-IRXDYDNUSA-N 2 0 368.522 0.546 10 0 FCAERP C[C@@H](NC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C(C)(C)C[NH+](C)C ZINC000669144732 493468143 /nfs/dbraw/zinc/46/81/43/493468143.db2.gz UKBNPDSDDSCONM-ZBFHGGJFSA-N 2 0 368.522 0.137 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000685322844 493475252 /nfs/dbraw/zinc/47/52/52/493475252.db2.gz ANVMNFXUNDQZDT-INIZCTEOSA-N 2 0 370.538 0.650 10 0 FCAERP CCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000669250345 493482558 /nfs/dbraw/zinc/48/25/58/493482558.db2.gz JEYSIIMHKVKHOG-HOTGVXAUSA-N 2 0 354.495 0.156 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000669289351 493490182 /nfs/dbraw/zinc/49/01/82/493490182.db2.gz ZWZAALQTMHLDSW-QGZVFWFLSA-N 2 0 368.522 0.545 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1=O ZINC000662146969 493492451 /nfs/dbraw/zinc/49/24/51/493492451.db2.gz YKDDQFLRLWAZDW-UHFFFAOYSA-N 2 0 365.522 0.524 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000669424720 493502925 /nfs/dbraw/zinc/50/29/25/493502925.db2.gz MJIALBIVIWDPFD-UHFFFAOYSA-N 2 0 351.499 0.592 10 0 FCAERP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)NCCCN1CCCC1=O ZINC000662296105 493504554 /nfs/dbraw/zinc/50/45/54/493504554.db2.gz VYAWGTAPNCLQCU-QGZVFWFLSA-N 2 0 350.507 0.827 10 0 FCAERP O=C(NCCC[NH2+]Cc1cccnc1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662397400 493512222 /nfs/dbraw/zinc/51/22/22/493512222.db2.gz CPRKGAHJOOFBFD-INIZCTEOSA-N 2 0 357.462 0.897 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662450981 493516853 /nfs/dbraw/zinc/51/68/53/493516853.db2.gz XLKHWHFIDKXLTG-HOTGVXAUSA-N 2 0 360.506 0.729 10 0 FCAERP CC[NH+]1CCC(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676096027 493524208 /nfs/dbraw/zinc/52/42/08/493524208.db2.gz OPFBWWALLMTSPK-UHFFFAOYSA-N 2 0 350.467 0.231 10 0 FCAERP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662832980 493545330 /nfs/dbraw/zinc/54/53/30/493545330.db2.gz LGZKXUROLQLSEI-CVEARBPZSA-N 2 0 362.478 0.530 10 0 FCAERP [NH3+]CCCn1cc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nn1 ZINC000662859745 493547380 /nfs/dbraw/zinc/54/73/80/493547380.db2.gz OAEZNZNTFRANDT-MRXNPFEDSA-N 2 0 358.446 0.124 10 0 FCAERP CN(C(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662930092 493555570 /nfs/dbraw/zinc/55/55/70/493555570.db2.gz MHQAAEXWMDBPEX-WMZOPIPTSA-N 2 0 362.518 0.920 10 0 FCAERP CCCN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC000662949701 493559427 /nfs/dbraw/zinc/55/94/27/493559427.db2.gz WKISSFPFEAJWGG-HOTGVXAUSA-N 2 0 354.495 0.156 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCO1 ZINC000662969033 493562103 /nfs/dbraw/zinc/56/21/03/493562103.db2.gz KFKOZDQSYJGQRA-VVLHAWIVSA-N 2 0 366.506 0.141 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CCO1 ZINC000662974085 493562899 /nfs/dbraw/zinc/56/28/99/493562899.db2.gz ZYJLTUNSRXYRPX-HUUCEWRRSA-N 2 0 350.467 0.385 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000662993193 493565575 /nfs/dbraw/zinc/56/55/75/493565575.db2.gz OBTPBZALUIEWHR-VQIMIIECSA-N 2 0 366.506 0.158 10 0 FCAERP Cc1cc(CN(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)no1 ZINC000670435906 493566692 /nfs/dbraw/zinc/56/66/92/493566692.db2.gz IFKLKHLBZOIDIS-CQSZACIVSA-N 2 0 363.462 0.226 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663653179 493610061 /nfs/dbraw/zinc/61/00/61/493610061.db2.gz CVIWJVLEGIJHCM-GOSISDBHSA-N 2 0 368.522 0.995 10 0 FCAERP CC(C)[NH+]1CCN(C2CC[NH+](CCn3nc4ccccn4c3=O)CC2)CC1 ZINC000677738246 493614665 /nfs/dbraw/zinc/61/46/65/493614665.db2.gz HAEZJXNHGXMEJX-UHFFFAOYSA-N 2 0 372.517 0.986 10 0 FCAERP CCN(C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000664051029 493632149 /nfs/dbraw/zinc/63/21/49/493632149.db2.gz ICECDGVHLNJQAW-INIZCTEOSA-N 2 0 353.511 0.665 10 0 FCAERP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc2cc(S(N)(=O)=O)ccc2[nH]1 ZINC000664195339 493644219 /nfs/dbraw/zinc/64/42/19/493644219.db2.gz LXTUCMYPBLHLQC-LBPRGKRZSA-N 2 0 368.507 0.894 10 0 FCAERP CN(CCC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1cc[nH+]cc1 ZINC000679408019 493678781 /nfs/dbraw/zinc/67/87/81/493678781.db2.gz VNBHYZGEWPDHGL-QGZVFWFLSA-N 2 0 359.474 0.849 10 0 FCAERP CCN(C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000665127089 493701283 /nfs/dbraw/zinc/70/12/83/493701283.db2.gz CIOVNJARTVNCOP-KRWDZBQOSA-N 2 0 367.538 0.519 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000672165351 493739185 /nfs/dbraw/zinc/73/91/85/493739185.db2.gz IZFBSOMTSLOOSB-HZPDHXFCSA-N 2 0 354.495 0.202 10 0 FCAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672304784 493751891 /nfs/dbraw/zinc/75/18/91/493751891.db2.gz LPCUMWZGWCAJMM-UXLLHSPISA-N 2 0 350.507 0.966 10 0 FCAERP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000666130898 493759250 /nfs/dbraw/zinc/75/92/50/493759250.db2.gz JOCIPIMOCNVOIV-ROUUACIJSA-N 2 0 351.491 0.241 10 0 FCAERP CC[NH+]1CCN(CC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000412779661 529137917 /nfs/dbraw/zinc/13/79/17/529137917.db2.gz NLTCYGQTTANZHY-UHFFFAOYSA-N 2 0 374.529 0.767 10 0 FCAERP CCCN(C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423641723 535186625 /nfs/dbraw/zinc/18/66/25/535186625.db2.gz BDAQOZCGXVEOSU-QGZVFWFLSA-N 2 0 350.507 0.921 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC2([NH3+])CCCCCC2)CCSC1 ZINC000419575117 536141065 /nfs/dbraw/zinc/14/10/65/536141065.db2.gz ALDHQRWLYOZUDP-KRWDZBQOSA-N 2 0 356.536 0.708 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419904685 536354941 /nfs/dbraw/zinc/35/49/41/536354941.db2.gz XWDODXYIYYQQNC-YESZJQIVSA-N 2 0 365.522 0.001 10 0 FCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000125417565 546541645 /nfs/dbraw/zinc/54/16/45/546541645.db2.gz FMIVEYBSOCAYMT-CQSZACIVSA-N 2 0 350.467 0.374 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC000551215665 547135131 /nfs/dbraw/zinc/13/51/31/547135131.db2.gz OIINJCCAEDLTAJ-JKIFEVAISA-N 2 0 356.536 0.481 10 0 FCAERP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000551712856 547160379 /nfs/dbraw/zinc/16/03/79/547160379.db2.gz MDUIHHCAFACHAT-WBVHZDCISA-N 2 0 369.531 0.739 10 0 FCAERP COC(=O)CC1CC(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000924938468 664940307 /nfs/dbraw/zinc/94/03/07/664940307.db2.gz PWHCXVVMOVBEAP-LVDPKSTMSA-N 2 0 354.495 0.709 10 0 FCAERP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896044193 665068504 /nfs/dbraw/zinc/06/85/04/665068504.db2.gz WIWBIRKJGWUNBO-HNNXBMFYSA-N 2 0 355.479 0.439 10 0 FCAERP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000925154000 665172253 /nfs/dbraw/zinc/17/22/53/665172253.db2.gz NRRBQUMRSBXYCB-BBWFWOEESA-N 2 0 368.547 0.930 10 0 FCAERP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000925173772 665178326 /nfs/dbraw/zinc/17/83/26/665178326.db2.gz ZINAZOOJDNMQAE-SOUVJXGZSA-N 2 0 356.536 0.711 10 0 FCAERP CC[NH+]1CCN(CC(=O)N2CCC(C[N@H+](CCO)C(C)C)CC2)CC1 ZINC000910861721 666284602 /nfs/dbraw/zinc/28/46/02/666284602.db2.gz YFEVERUUXCTISN-UHFFFAOYSA-N 2 0 354.539 0.565 10 0 FCAERP COCC[N@@H+]1CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000911913220 666382067 /nfs/dbraw/zinc/38/20/67/666382067.db2.gz ZMHDOEJLEYIYIZ-UHFFFAOYSA-N 2 0 354.539 0.972 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(N)nc1 ZINC000914030640 666685112 /nfs/dbraw/zinc/68/51/12/666685112.db2.gz CAVOYVKRDTZADZ-ZDUSSCGKSA-N 2 0 356.496 0.095 10 0 FCAERP CC(C)[NH+]1CCC(O)(CNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000914250849 666731121 /nfs/dbraw/zinc/73/11/21/666731121.db2.gz CBTLDIDRLKBYPI-INIZCTEOSA-N 2 0 359.536 0.627 10 0 FCAERP CN1CC[NH+](CCCCNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000919500264 667180674 /nfs/dbraw/zinc/18/06/74/667180674.db2.gz ARSQFLSSZUPAQG-DLBZAZTESA-N 2 0 369.579 0.893 10 0 FCAERP C[N@@H+]1CCN(CCNC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)CC1(C)C ZINC000922347342 667641129 /nfs/dbraw/zinc/64/11/29/667641129.db2.gz OWGCKBKZSQFFOT-HOTGVXAUSA-N 2 0 369.579 0.891 10 0 FCAERP CCOCC[C@@H](O)C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923396990 667830913 /nfs/dbraw/zinc/83/09/13/667830913.db2.gz ADDXTRHULGVTIL-JKSUJKDBSA-N 2 0 351.495 0.786 10 0 FCAERP C[C@@H]1C[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[C@@H]1C[NH3+] ZINC000923492866 667841132 /nfs/dbraw/zinc/84/11/32/667841132.db2.gz QMNLREBLSKDHJB-KFWWJZLASA-N 2 0 361.552 0.905 10 0 FCAERP C[C@H]1C[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[C@@H]1C[NH3+] ZINC000923498646 667841871 /nfs/dbraw/zinc/84/18/71/667841871.db2.gz IUFWBKLNRLWLCJ-LSDHHAIUSA-N 2 0 364.515 0.949 10 0 FCAERP Cn1cc(S(=O)(=O)NCC[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)cn1 ZINC000923504552 667842299 /nfs/dbraw/zinc/84/22/99/667842299.db2.gz AECVWJSFDKRZNB-HNNXBMFYSA-N 2 0 369.535 0.800 10 0 FCAERP COC(=O)[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]([C@@H]2CCCO2)C1 ZINC000923555766 667848253 /nfs/dbraw/zinc/84/82/53/667848253.db2.gz VNVIMOJLFLOYDS-OAGGEKHMSA-N 2 0 353.463 0.241 10 0 FCAERP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000768717435 668094260 /nfs/dbraw/zinc/09/42/60/668094260.db2.gz RNQBVICLILPJOT-AWEZNQCLSA-N 2 0 350.467 0.374 10 0 FCAERP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000781913347 668539295 /nfs/dbraw/zinc/53/92/95/668539295.db2.gz POYNUMBVIHJICA-WMLDXEAASA-N 2 0 370.519 0.317 10 0 FCAERP C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000787901674 668813500 /nfs/dbraw/zinc/81/35/00/668813500.db2.gz BXCFNUZIHLWXDR-INIZCTEOSA-N 2 0 354.495 0.206 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000819071811 668976460 /nfs/dbraw/zinc/97/64/60/668976460.db2.gz ALPARJIKRUTVNI-JKSUJKDBSA-N 2 0 356.511 0.584 10 0 FCAERP Cc1cc([C@H]([NH3+])CC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc(Cl)n1 ZINC000831683317 669861570 /nfs/dbraw/zinc/86/15/70/669861570.db2.gz RVYIARBWHGRJMX-LSDHHAIUSA-N 2 0 351.882 0.939 10 0 FCAERP CC[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867276845 670614204 /nfs/dbraw/zinc/61/42/04/670614204.db2.gz AUERBCXABBLECO-ZACQAIPSSA-N 2 0 352.523 0.975 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCCCCC2)C[C@H]1C[NH+](C)C ZINC000867282849 670623361 /nfs/dbraw/zinc/62/33/61/670623361.db2.gz UUSHEJVEYCTKNY-IAGOWNOFSA-N 2 0 352.523 0.977 10 0 FCAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000845039325 670960624 /nfs/dbraw/zinc/96/06/24/670960624.db2.gz WMTQULPMLWJGNV-MRXNPFEDSA-N 2 0 353.511 0.380 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000846335589 671102824 /nfs/dbraw/zinc/10/28/24/671102824.db2.gz QAMKQNOPCVPNSF-OAHLLOKOSA-N 2 0 354.495 0.204 10 0 FCAERP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000867434719 671132115 /nfs/dbraw/zinc/13/21/15/671132115.db2.gz WCPPUYPKNLNMND-MRXNPFEDSA-N 2 0 350.507 0.873 10 0 FCAERP O=S(=O)(CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)N1CCOCC1 ZINC000850121804 671373221 /nfs/dbraw/zinc/37/32/21/671373221.db2.gz YOLMFLXZHNQIEH-UHFFFAOYSA-N 2 0 351.432 0.019 10 0 FCAERP Cc1cc([C@H]([NH3+])CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc(Cl)n1 ZINC000851644693 671452385 /nfs/dbraw/zinc/45/23/85/671452385.db2.gz UUWHXMJLQMVLIO-CQSZACIVSA-N 2 0 369.897 0.912 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(CC[NH3+])CCO)cc1F ZINC000851674650 671456212 /nfs/dbraw/zinc/45/62/12/671456212.db2.gz HDGXHWRSQHNTNN-ZFWWWQNUSA-N 2 0 354.426 0.242 10 0 FCAERP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000852916568 671531952 /nfs/dbraw/zinc/53/19/52/671531952.db2.gz MKLWNEAIKFBREF-HZPDHXFCSA-N 2 0 350.438 0.604 10 0 FCAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCS(N)(=O)=O)C2)ccn1 ZINC000856591527 671692936 /nfs/dbraw/zinc/69/29/36/671692936.db2.gz NFNRDSFIEITPLJ-MRXNPFEDSA-N 2 0 356.492 0.665 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000903483982 675932591 /nfs/dbraw/zinc/93/25/91/675932591.db2.gz NIRUDBBNQWTDBH-DLBZAZTESA-N 2 0 352.523 0.724 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903558849 675944170 /nfs/dbraw/zinc/94/41/70/675944170.db2.gz RJGBYSCFLXKOIY-IUODEOHRSA-N 2 0 357.524 0.667 10 0 FCAERP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903591232 675950622 /nfs/dbraw/zinc/95/06/22/675950622.db2.gz KPTWDTHAMWCCBY-INIZCTEOSA-N 2 0 355.508 0.593 10 0 FCAERP C[N@H+](CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C1CC1 ZINC000861575000 671973199 /nfs/dbraw/zinc/97/31/99/671973199.db2.gz FLVSRXLTAACTCR-CABCVRRESA-N 2 0 351.451 0.047 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C[NH2+]1 ZINC000861689774 671981101 /nfs/dbraw/zinc/98/11/01/671981101.db2.gz GCNHKQUWAOLPHV-VIRABCJISA-N 2 0 351.451 0.094 10 0 FCAERP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903719596 675963577 /nfs/dbraw/zinc/96/35/77/675963577.db2.gz PCGYRSJPPYXDDL-STQMWFEESA-N 2 0 366.428 0.771 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903724098 675963985 /nfs/dbraw/zinc/96/39/85/675963985.db2.gz LPVTZRWPJBGBSK-RWMBFGLXSA-N 2 0 364.412 0.525 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903724097 675964119 /nfs/dbraw/zinc/96/41/19/675964119.db2.gz LPVTZRWPJBGBSK-AVGNSLFASA-N 2 0 364.412 0.525 10 0 FCAERP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000861733231 671988390 /nfs/dbraw/zinc/98/83/90/671988390.db2.gz PCNROZODCZCHNT-KDURUIRLSA-N 2 0 350.507 0.824 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000903737724 675965738 /nfs/dbraw/zinc/96/57/38/675965738.db2.gz CZIMCTNJHBYDPE-RWMBFGLXSA-N 2 0 362.396 0.420 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000903746714 675967023 /nfs/dbraw/zinc/96/70/23/675967023.db2.gz FNHNIVNZWJBIRF-FDYHWXHSSA-N 2 0 364.412 0.523 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903747697 675967169 /nfs/dbraw/zinc/96/71/69/675967169.db2.gz SNNLAHOTBXBWFJ-VOAKCMCISA-N 2 0 364.412 0.523 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903773063 675971754 /nfs/dbraw/zinc/97/17/54/675971754.db2.gz GYVAKXFQJHVABH-VXGBXAGGSA-N 2 0 364.412 0.667 10 0 FCAERP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903787698 675973586 /nfs/dbraw/zinc/97/35/86/675973586.db2.gz VOWWQGBLFCPTFP-OLZOCXBDSA-N 2 0 364.412 0.525 10 0 FCAERP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903791888 675973714 /nfs/dbraw/zinc/97/37/14/675973714.db2.gz ARDUVAFQPIKCKD-HNNXBMFYSA-N 2 0 350.463 0.756 10 0 FCAERP COC(=O)CC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C1CCOCC1 ZINC000903899674 675981282 /nfs/dbraw/zinc/98/12/82/675981282.db2.gz WDPCLFZFDFNJCT-HNNXBMFYSA-N 2 0 352.479 0.890 10 0 FCAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cnn1C ZINC000903924495 675983158 /nfs/dbraw/zinc/98/31/58/675983158.db2.gz DVQKWFKSAIHBNH-JSGCOSHPSA-N 2 0 361.412 0.989 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=S)NCC2CC[NH+](C)CC2)C[C@H]1C[NH+](C)C ZINC000865245434 672234145 /nfs/dbraw/zinc/23/41/45/672234145.db2.gz KTXCJDRXVPIZAW-IAGOWNOFSA-N 3 0 355.596 0.874 10 0 FCAERP Cc1cc(F)c(S(N)(=O)=O)c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000866010255 672259987 /nfs/dbraw/zinc/25/99/87/672259987.db2.gz IHISYPZCOAQWHM-ZIAGYGMSSA-N 2 0 372.510 0.957 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866822194 672313163 /nfs/dbraw/zinc/31/31/63/672313163.db2.gz AIDSYEDKLOPJJP-HUUCEWRRSA-N 2 0 355.508 0.577 10 0 FCAERP C[C@H]1CCSCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867492440 672325187 /nfs/dbraw/zinc/32/51/87/672325187.db2.gz HDSKRUJYUYSFGL-ARFHVFGLSA-N 2 0 370.563 0.538 10 0 FCAERP C[C@H]1SCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H]1C ZINC000867491672 672325229 /nfs/dbraw/zinc/32/52/29/672325229.db2.gz SSRMZOLUFPTFKK-KLHDSHLOSA-N 2 0 370.563 0.537 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCS1 ZINC000867577634 672341086 /nfs/dbraw/zinc/34/10/86/672341086.db2.gz BKGKFCYTYMVXID-BZUAXINKSA-N 2 0 370.563 0.538 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(C(N)=O)cc2)C[C@H]1C[NH+](C)C ZINC000867589500 672343098 /nfs/dbraw/zinc/34/30/98/672343098.db2.gz OSENDWFRBKHOJO-HUUCEWRRSA-N 2 0 368.503 0.145 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCCCC2CC2)C[C@H]1C[NH+](C)C ZINC000867677467 672354517 /nfs/dbraw/zinc/35/45/17/672354517.db2.gz LZXDJBWKPDGPDV-IAGOWNOFSA-N 2 0 352.523 0.881 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCC1(C)C ZINC000867742448 672360966 /nfs/dbraw/zinc/36/09/66/672360966.db2.gz MXTJZZXLHOUENC-MRXNPFEDSA-N 2 0 350.507 0.873 10 0 FCAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000868369403 672396217 /nfs/dbraw/zinc/39/62/17/672396217.db2.gz YVGDEKJCAKATBJ-KXBFYZLASA-N 2 0 350.507 0.907 10 0 FCAERP CC[C@H]1CN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC[C@H]1[NH3+] ZINC000868387451 672397606 /nfs/dbraw/zinc/39/76/06/672397606.db2.gz RSQRNXKCDYYTDA-JKSUJKDBSA-N 2 0 350.507 0.907 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCC1(C)C ZINC000868403943 672398730 /nfs/dbraw/zinc/39/87/30/672398730.db2.gz BDJKGUQAVNMQKF-HZPDHXFCSA-N 2 0 350.507 0.777 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CCC1(C)C ZINC000868404378 672398738 /nfs/dbraw/zinc/39/87/38/672398738.db2.gz FDGIANDERDCBJI-UHFFFAOYSA-N 2 0 350.507 0.920 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868421227 672400005 /nfs/dbraw/zinc/40/00/05/672400005.db2.gz JKFBNVNZASFIGY-SJORKVTESA-N 2 0 350.507 0.920 10 0 FCAERP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870018041 672461762 /nfs/dbraw/zinc/46/17/62/672461762.db2.gz UKNPXZJUDQLCOB-HZPDHXFCSA-N 3 0 350.511 0.256 10 0 FCAERP CCCC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021459 672461779 /nfs/dbraw/zinc/46/17/79/672461779.db2.gz FTVVMQRYLGRBEI-BZUAXINKSA-N 2 0 370.563 0.886 10 0 FCAERP C[C@H](CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@@H]1CCC[NH2+]C1 ZINC000871000106 672525254 /nfs/dbraw/zinc/52/52/54/672525254.db2.gz SENOWMLCGPANBT-LJIZCISZSA-N 2 0 350.463 0.406 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000871813277 672574402 /nfs/dbraw/zinc/57/44/02/672574402.db2.gz PMSDSVQPVCUSBI-STQMWFEESA-N 2 0 372.457 0.023 10 0 FCAERP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872189386 672598403 /nfs/dbraw/zinc/59/84/03/672598403.db2.gz GSAONQWFKUGPTK-CHWSQXEVSA-N 2 0 364.412 0.526 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000872190714 672599480 /nfs/dbraw/zinc/59/94/80/672599480.db2.gz FBILOXUJMCQEQH-AVGNSLFASA-N 2 0 364.412 0.382 10 0 FCAERP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872192637 672601056 /nfs/dbraw/zinc/60/10/56/672601056.db2.gz YLCPNRQKIZVWOF-RYUDHWBXSA-N 2 0 352.401 0.382 10 0 FCAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872193541 672601529 /nfs/dbraw/zinc/60/15/29/672601529.db2.gz ZGRRDGIXOMANCA-MAUKXSAKSA-N 2 0 364.515 0.706 10 0 FCAERP [NH3+][C@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(Cl)c1 ZINC000872308981 672612209 /nfs/dbraw/zinc/61/22/09/672612209.db2.gz OYFPFFUUKVBCBH-KBXIAJHMSA-N 2 0 364.833 0.733 10 0 FCAERP CCN1C[C@@H](CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC000875696332 672905500 /nfs/dbraw/zinc/90/55/00/672905500.db2.gz KOVGTISIKQGYCA-BZUAXINKSA-N 2 0 353.511 0.236 10 0 FCAERP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000878347343 673055418 /nfs/dbraw/zinc/05/54/18/673055418.db2.gz HXNDPTQJLZPYQR-ZDUSSCGKSA-N 2 0 353.488 0.951 10 0 FCAERP C[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCNS(C)(=O)=O)C2)ccn1 ZINC000886096517 673557755 /nfs/dbraw/zinc/55/77/55/673557755.db2.gz LAOQKRKRDHKXPY-INIZCTEOSA-N 2 0 356.492 0.536 10 0 FCAERP CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCNCC[NH2+]CC1 ZINC000923693185 673734722 /nfs/dbraw/zinc/73/47/22/673734722.db2.gz WTYYBGTZPJTGEJ-UHFFFAOYSA-N 2 0 364.874 0.651 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923703631 673735842 /nfs/dbraw/zinc/73/58/42/673735842.db2.gz RQLZLLQIZVUTMO-DOMZBBRYSA-N 2 0 357.524 0.667 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1(C2(O)CCOCC2)CC1 ZINC000925648557 673797797 /nfs/dbraw/zinc/79/77/97/673797797.db2.gz CIYAOVIYSAGXMH-UHFFFAOYSA-N 2 0 356.511 0.443 10 0 FCAERP O=S1(=O)CCNC[C@@H]1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925788795 673801012 /nfs/dbraw/zinc/80/10/12/673801012.db2.gz MASAIFXQVHJRPH-ZVZYQTTQSA-N 2 0 365.499 0.609 10 0 FCAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000926349938 673825377 /nfs/dbraw/zinc/82/53/77/673825377.db2.gz CEWZXNWSNAEBOE-APWZRJJASA-N 2 0 350.507 0.921 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC[C@@H]1C[NH3+] ZINC000926351158 673825688 /nfs/dbraw/zinc/82/56/88/673825688.db2.gz GNKMLXQMWZOPJE-DJIMGWMZSA-N 2 0 350.507 0.620 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC[C@@H]1C[NH3+] ZINC000926351159 673825815 /nfs/dbraw/zinc/82/58/15/673825815.db2.gz GNKMLXQMWZOPJE-HYVNUMGLSA-N 2 0 350.507 0.620 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC[C@H]1C[NH3+] ZINC000926394207 673829447 /nfs/dbraw/zinc/82/94/47/673829447.db2.gz ALVXDBUUCXOMOX-CVEARBPZSA-N 2 0 350.507 0.907 10 0 FCAERP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926396616 673829824 /nfs/dbraw/zinc/82/98/24/673829824.db2.gz BLUOZELGSMBXRR-GOSISDBHSA-N 2 0 354.495 0.023 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)C[C@H]1C[NH+](C)C ZINC000926636735 673836948 /nfs/dbraw/zinc/83/69/48/673836948.db2.gz WTYJMHFXQKIDIA-TZNCUMHOSA-N 2 0 350.507 0.958 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)C[C@H]1C[NH+](C)C ZINC000926677850 673839531 /nfs/dbraw/zinc/83/95/31/673839531.db2.gz QTCPGVHLANHUBQ-HHARLNAUSA-N 2 0 354.495 0.171 10 0 FCAERP CN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000927636539 673873009 /nfs/dbraw/zinc/87/30/09/673873009.db2.gz YVYQWRKEADXAIR-ULQDDVLXSA-N 2 0 352.479 0.354 10 0 FCAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@]2(CCOC2)C1)[NH+]1CC[C@@]2(CCOC2)C1 ZINC000929827053 673979229 /nfs/dbraw/zinc/97/92/29/673979229.db2.gz RRIPJZNESNHHFI-NZSAHSFTSA-N 2 0 351.491 0.716 10 0 FCAERP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000929881149 673982709 /nfs/dbraw/zinc/98/27/09/673982709.db2.gz LERKHBQRQYNGJO-LSDHHAIUSA-N 2 0 354.495 0.012 10 0 FCAERP C[C@H](CNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)[NH+](C)C[C@H]1CCC[C@@H]1O ZINC000930097372 673997668 /nfs/dbraw/zinc/99/76/68/673997668.db2.gz PVKLJLDXMIJDMS-WKULXVSPSA-N 2 0 355.523 0.677 10 0 FCAERP C[N@@H+]1CCC[C@@](O)(CC(=O)NCC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000900663517 675705290 /nfs/dbraw/zinc/70/52/90/675705290.db2.gz SZDGIXHOCCSVEC-LJQANCHMSA-N 2 0 353.507 0.985 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH+](C)CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001266455924 1168471136 /nfs/dbraw/zinc/47/11/36/1168471136.db2.gz NUIRIPOCQLPDHU-QLFBSQMISA-N 2 0 367.494 0.082 10 0 FCAERP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000897527210 1192372071 /nfs/dbraw/zinc/37/20/71/1192372071.db2.gz ZHAXMFMUYFLXCV-JKSUJKDBSA-N 2 0 361.490 0.965 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1C ZINC001747017500 1192395100 /nfs/dbraw/zinc/39/51/00/1192395100.db2.gz CMYORWXVBAUPMR-OWCLPIDISA-N 2 0 368.522 0.184 10 0 FCAERP CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC000897529972 1192399493 /nfs/dbraw/zinc/39/94/93/1192399493.db2.gz ZPTXLHOYWBQBOB-MRXNPFEDSA-N 2 0 373.501 0.967 10 0 FCAERP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266787075 1170521996 /nfs/dbraw/zinc/52/19/96/1170521996.db2.gz SSGISTHQPJBKSR-RBSFLKMASA-N 2 0 367.494 0.001 10 0 FCAERP C[C@H]([NH2+]CCN1CCNC1=O)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267185772 1172066577 /nfs/dbraw/zinc/06/65/77/1172066577.db2.gz SAKGFQROOGVJCL-ZMSDIMECSA-N 2 0 365.522 0.569 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000898041511 1192855637 /nfs/dbraw/zinc/85/56/37/1192855637.db2.gz GLBLNSMXAZYOOV-CVEARBPZSA-N 2 0 361.490 0.965 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)cn1 ZINC000126112218 1178863417 /nfs/dbraw/zinc/86/34/17/1178863417.db2.gz XEVVEEPZPZPWEO-UHFFFAOYSA-N 2 0 372.473 0.631 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC001719688911 1179392834 /nfs/dbraw/zinc/39/28/34/1179392834.db2.gz FHBAOLXYAYFZPS-TXPKVOOTSA-N 2 0 350.507 0.729 10 0 FCAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1C ZINC001719726557 1179800827 /nfs/dbraw/zinc/80/08/27/1179800827.db2.gz CYORDGKTHHVGDJ-IXDOHACOSA-N 2 0 352.523 0.881 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000127430597 1179910354 /nfs/dbraw/zinc/91/03/54/1179910354.db2.gz MERHMXCCUCSVEY-UHFFFAOYSA-N 2 0 364.494 0.621 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CCC1 ZINC000659074404 1181987575 /nfs/dbraw/zinc/98/75/75/1181987575.db2.gz REDKXGCVDNWQMM-MRXNPFEDSA-N 2 0 360.458 0.887 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]CCNC(=O)C2CC2)C2CC2)CC[N@@H+]1C ZINC001481932458 1187552244 /nfs/dbraw/zinc/55/22/44/1187552244.db2.gz YOXSRYQDEKOZNX-NRXGSXMXSA-N 2 0 350.507 0.727 10 0 FCAERP C[C@H](C[NH2+]CC(=O)Nc1nncs1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482283881 1188126128 /nfs/dbraw/zinc/12/61/28/1188126128.db2.gz QYDKRQBZNXNLGW-IJLUTSLNSA-N 2 0 354.480 0.253 10 0 FCAERP CCC[NH+]1CCN(c2ccccc2C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC000895313982 1189833530 /nfs/dbraw/zinc/83/35/30/1189833530.db2.gz IAROIMCOKNEAKO-IAGOWNOFSA-N 2 0 373.501 0.237 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896017572 1189914724 /nfs/dbraw/zinc/91/47/24/1189914724.db2.gz MKEYJMKQBUKHAT-LJQANCHMSA-N 3 0 373.501 0.431 10 0 FCAERP CN1CCC(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)([NH+]2CCCCC2)CC1 ZINC000896692485 1190116378 /nfs/dbraw/zinc/11/63/78/1190116378.db2.gz FADRDHDNQVBPOJ-SFHVURJKSA-N 2 0 364.534 0.774 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH2+]C[C@H]3CCCOC3)CC2)CC[N@@H+]1C ZINC001271912746 1190757853 /nfs/dbraw/zinc/75/78/53/1190757853.db2.gz WPWBPDMAWYTGKK-ZHALLVOQSA-N 2 0 366.550 0.923 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CCN1c1cc[nH+]cc1 ZINC000897389868 1191047525 /nfs/dbraw/zinc/04/75/25/1191047525.db2.gz QPCLDSAHAFXZPF-OAHLLOKOSA-N 2 0 371.485 0.862 10 0 FCAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000550784344 1193792175 /nfs/dbraw/zinc/79/21/75/1193792175.db2.gz SECZLVLXBXXVJH-KRWDZBQOSA-N 2 0 368.522 0.309 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000552939663 1193959645 /nfs/dbraw/zinc/95/96/45/1193959645.db2.gz SWOBVNLRVXOBJK-IAGOWNOFSA-N 2 0 368.522 0.308 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000552939665 1193959969 /nfs/dbraw/zinc/95/99/69/1193959969.db2.gz SWOBVNLRVXOBJK-SJORKVTESA-N 2 0 368.522 0.308 10 0 FCAERP CC(=O)N1CCN(c2ccccc2C[NH2+]C2CCN(CC[NH3+])CC2)CC1 ZINC000904361998 1195534891 /nfs/dbraw/zinc/53/48/91/1195534891.db2.gz FJXYAWMYKQDVTP-UHFFFAOYSA-N 2 0 359.518 0.868 10 0 FCAERP [NH3+]C1CCN(Cc2cn(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)nn2)CC1 ZINC000905817189 1195603273 /nfs/dbraw/zinc/60/32/73/1195603273.db2.gz XVEKMRSRNQYFQZ-HXUWFJFHSA-N 2 0 370.501 0.838 10 0 FCAERP O=C(NCc1ccnc(NC(=O)C23CC[NH+](CC2)C3)c1)C12CC[NH+](CC1)C2 ZINC000907313616 1195687512 /nfs/dbraw/zinc/68/75/12/1195687512.db2.gz IMHKRCOXYCOXPQ-UHFFFAOYSA-N 2 0 369.469 0.828 10 0 FCAERP CC(C)(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)C12CC[NH+](CC1)C2 ZINC000907967101 1195718597 /nfs/dbraw/zinc/71/85/97/1195718597.db2.gz IUXCXEYMUQOXCU-HNNXBMFYSA-N 2 0 362.518 0.825 10 0 FCAERP CCOC(=O)[C@H]1CCCN(CC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000912733264 1196364686 /nfs/dbraw/zinc/36/46/86/1196364686.db2.gz OZBYXPKOJMMABD-DLBZAZTESA-N 2 0 369.506 0.831 10 0 FCAERP CCCCCNC(=O)C1CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000592824436 1196583609 /nfs/dbraw/zinc/58/36/09/1196583609.db2.gz KIWBFDFNIYYJMZ-INIZCTEOSA-N 2 0 366.506 0.694 10 0 FCAERP Cn1cc(C2=NC[C@H](C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)O2)cn1 ZINC000929419115 1196883153 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SWFBTSCUNNLUIN-IRXDYDNUSA-N 2 0 370.538 0.926 10 0 FCAERP CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867321126 1208354614 /nfs/dbraw/zinc/35/46/14/1208354614.db2.gz UEIPMUFSPBMEAI-IAGOWNOFSA-N 2 0 361.490 0.238 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(C(=O)CC[NH+](C)C)CC3)CC[N@@H+]1C ZINC001488229396 1208436494 /nfs/dbraw/zinc/43/64/94/1208436494.db2.gz AKWIOHIJCJVZAX-JEWRLFTDSA-N 2 0 350.507 0.918 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC(C)(C)O1 ZINC000867401937 1208461935 /nfs/dbraw/zinc/46/19/35/1208461935.db2.gz SEGBDASOQOTGEH-ARFHVFGLSA-N 2 0 368.522 0.210 10 0 FCAERP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)on1 ZINC001488946209 1208580877 /nfs/dbraw/zinc/58/08/77/1208580877.db2.gz CAWPLTOEQAUOCP-UONOGXRCSA-N 2 0 351.451 0.748 10 0 FCAERP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001488981329 1208597490 /nfs/dbraw/zinc/59/74/90/1208597490.db2.gz XLQIMJHCHMBCSX-HYVNUMGLSA-N 2 0 351.495 0.417 10 0 FCAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCF)C1 ZINC001488981568 1208597562 /nfs/dbraw/zinc/59/75/62/1208597562.db2.gz KRMOFMYFZLLKOM-HRCADAONSA-N 2 0 357.449 0.954 10 0 FCAERP COCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cnn(C)c1 ZINC001488982233 1208599216 /nfs/dbraw/zinc/59/92/16/1208599216.db2.gz NPDQGBUGZVSGBH-ZWKOTPCHSA-N 2 0 363.506 0.827 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001489010557 1208605850 /nfs/dbraw/zinc/60/58/50/1208605850.db2.gz ZJZVSMDOTDTEKK-MUIFIZLQSA-N 2 0 366.506 0.058 10 0 FCAERP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001489205540 1208669222 /nfs/dbraw/zinc/66/92/22/1208669222.db2.gz GHMIJYLVXXZXDK-KSZLIROESA-N 2 0 353.507 0.772 10 0 FCAERP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001489207268 1208671038 /nfs/dbraw/zinc/67/10/38/1208671038.db2.gz 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ULLZKVASBDDMIB-ZACQAIPSSA-N 2 0 368.522 0.281 10 0 FCAERP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)CCc1nccn1C ZINC001490344066 1209308245 /nfs/dbraw/zinc/30/82/45/1209308245.db2.gz AKCHNQGFEYUXNQ-OAGGEKHMSA-N 2 0 361.490 0.658 10 0 FCAERP CC[C@@H](C(=O)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1)[NH+](C)C ZINC001490353512 1209322847 /nfs/dbraw/zinc/32/28/47/1209322847.db2.gz DCJVGHUDYNJILK-OAGGEKHMSA-N 2 0 352.523 0.879 10 0 FCAERP CCC[N@H+](C)CC(=O)NCC[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1C ZINC001490441317 1209340419 /nfs/dbraw/zinc/34/04/19/1209340419.db2.gz HMXGNBVMOQLOHJ-ZACQAIPSSA-N 2 0 352.523 0.881 10 0 FCAERP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000852918105 1209576532 /nfs/dbraw/zinc/57/65/32/1209576532.db2.gz WCJNOOHNWDDANI-IAGOWNOFSA-N 2 0 364.465 0.517 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000853742002 1209604774 /nfs/dbraw/zinc/60/47/74/1209604774.db2.gz WHGFPUGNASYYSI-SFHVURJKSA-N 3 0 369.554 0.813 10 0 FCAERP C[NH+]1CCN(c2ccnc(-c3noc(-c4cn(CC[NH3+])nn4)n3)c2)CC1 ZINC000854148274 1209616750 /nfs/dbraw/zinc/61/67/50/1209616750.db2.gz MOHVSSQOKCTLKB-UHFFFAOYSA-N 2 0 355.406 0.101 10 0 FCAERP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000861491269 1209868076 /nfs/dbraw/zinc/86/80/76/1209868076.db2.gz MBEAUBIEYOCOLY-JKSUJKDBSA-N 2 0 374.441 0.087 10 0 FCAERP C[C@H](CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[N@H+](C)C1CC1 ZINC000861573344 1209871644 /nfs/dbraw/zinc/87/16/44/1209871644.db2.gz GBCCAYDSVWRJAD-WQVCFCJDSA-N 2 0 365.478 0.436 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC[N@@H+]1C ZINC000861592202 1209872025 /nfs/dbraw/zinc/87/20/25/1209872025.db2.gz HRRMRRJDIMQBRE-XOUADPBQSA-N 2 0 365.478 0.436 10 0 FCAERP C[C@@H](NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[C@@H]1CCC[NH2+]C1 ZINC000861638559 1209873088 /nfs/dbraw/zinc/87/30/88/1209873088.db2.gz DGEXEKIOGJSRPI-XOUADPBQSA-N 2 0 365.478 0.341 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CC[C@H](O)C2)[C@@H](c2cnn(C)c2)C1 ZINC000863834164 1209954128 /nfs/dbraw/zinc/95/41/28/1209954128.db2.gz FEUZXFXYJKEXPJ-OKZBNKHCSA-N 2 0 363.506 0.417 10 0 FCAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000865203199 1209975174 /nfs/dbraw/zinc/97/51/74/1209975174.db2.gz SSXIWCQXMFJBML-CABCVRRESA-N 2 0 371.526 0.193 10 0 FCAERP COCCNC(=O)c1ccc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1 ZINC000866012986 1209989336 /nfs/dbraw/zinc/98/93/36/1209989336.db2.gz YVEVCWHELOJYOS-IAGOWNOFSA-N 2 0 363.506 0.633 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CCO1 ZINC000867639848 1210019935 /nfs/dbraw/zinc/01/99/35/1210019935.db2.gz DDPFPORSEMUVHK-GVDBMIGSSA-N 2 0 366.506 0.108 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCC[C@@]32C)C[C@H]1C[NH+](C)C ZINC000867654276 1210020533 /nfs/dbraw/zinc/02/05/33/1210020533.db2.gz IPBQTSQSZPYJKF-WWNBULGVSA-N 2 0 364.534 0.975 10 0 FCAERP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000867741621 1210026966 /nfs/dbraw/zinc/02/69/66/1210026966.db2.gz KCLJYCBEIPDWIQ-UHFFFAOYSA-N 2 0 369.554 0.271 10 0 FCAERP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000868224288 1210044325 /nfs/dbraw/zinc/04/43/25/1210044325.db2.gz FJCIRSCMISDWSA-DLBZAZTESA-N 2 0 360.458 0.668 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N(CCC[NH3+])Cc3ccccc3)CC[C@H]21 ZINC000868387035 1210058986 /nfs/dbraw/zinc/05/89/86/1210058986.db2.gz OBJCTYBHJVJDNM-QZTJIDSGSA-N 2 0 358.486 0.917 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)CC[C@H]21 ZINC000868390853 1210060871 /nfs/dbraw/zinc/06/08/71/1210060871.db2.gz BJLQBJUCPZBCHM-BZZMCLGOSA-N 2 0 374.460 0.631 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000868419801 1210064653 /nfs/dbraw/zinc/06/46/53/1210064653.db2.gz RJTDNRZTEUQWMJ-IKGGRYGDSA-N 2 0 366.506 0.299 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@]2(C)Oc3ccccc3NC2=O)C[C@H]1C[NH+](C)C ZINC000870016328 1210099815 /nfs/dbraw/zinc/09/98/15/1210099815.db2.gz JQWIGHDWLQVOKP-SXGZJXTBSA-N 2 0 374.485 0.974 10 0 FCAERP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2c(=O)[nH]n(C)c2n1 ZINC000870023600 1210100032 /nfs/dbraw/zinc/10/00/32/1210100032.db2.gz DZGHHWDFNQOQBH-ZIAGYGMSSA-N 2 0 374.489 0.794 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCCc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870021402 1210100122 /nfs/dbraw/zinc/10/01/22/1210100122.db2.gz DLQLGXHEKVFONW-RTBURBONSA-N 2 0 374.529 0.933 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C[C@H]1C[NH+](C)C ZINC000870023890 1210100128 /nfs/dbraw/zinc/10/01/28/1210100128.db2.gz NHTKOJPVTDMKNS-KZNAEPCWSA-N 2 0 364.534 0.833 10 0 FCAERP CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870021255 1210100176 /nfs/dbraw/zinc/10/01/76/1210100176.db2.gz CZIKUMNAKWHSJY-XXCOWLKOSA-N 2 0 373.501 0.652 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1C[NH+](C)C ZINC000870022711 1210100343 /nfs/dbraw/zinc/10/03/43/1210100343.db2.gz YJVGIZNLADGMMO-ZIAGYGMSSA-N 2 0 361.446 0.224 10 0 FCAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000870892041 1210121556 /nfs/dbraw/zinc/12/15/56/1210121556.db2.gz ADXXMPGNJQTBNE-SQGPQFPESA-N 2 0 362.518 0.955 10 0 FCAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254505 1210181598 /nfs/dbraw/zinc/18/15/98/1210181598.db2.gz FZDFMRCFVWHPKA-UHOSZYNNSA-N 3 0 374.485 0.994 10 0 FCAERP CN1C(=O)CCc2cc(C[N@@H+]3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)ccc21 ZINC000872257847 1210184159 /nfs/dbraw/zinc/18/41/59/1210184159.db2.gz ZCCBLXZAMMRETA-NXHRZFHOSA-N 2 0 370.453 0.963 10 0 FCAERP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872264254 1210184956 /nfs/dbraw/zinc/18/49/56/1210184956.db2.gz KLAYYMJFEFUHOD-ZACQAIPSSA-N 2 0 358.442 0.340 10 0 FCAERP O=C([C@H]1[NH2+]CCc2ccccc21)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872264609 1210185304 /nfs/dbraw/zinc/18/53/04/1210185304.db2.gz WNAVPBDRADKHDQ-SQNIBIBYSA-N 2 0 370.453 0.657 10 0 FCAERP CCC[C@@H](C)C(=O)NCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875617204 1210385138 /nfs/dbraw/zinc/38/51/38/1210385138.db2.gz DYMGXNRMQNEHPG-BRWVUGGUSA-N 2 0 369.554 0.920 10 0 FCAERP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[C@@H](O)[C@@H](O)C3)CC2)cc1 ZINC000879610326 1210491649 /nfs/dbraw/zinc/49/16/49/1210491649.db2.gz QLYMOBWXJFBVSY-MOPGFXCFSA-N 2 0 361.486 0.457 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC(OCCC[NH2+]CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC001276164599 1211368960 /nfs/dbraw/zinc/36/89/60/1211368960.db2.gz NYAITZHIPQRXMI-NVXWUHKLSA-N 2 0 368.522 0.402 10 0 FCAERP CC(C)O[C@]1(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCOC1 ZINC000925766520 1211508219 /nfs/dbraw/zinc/50/82/19/1211508219.db2.gz SMAZYARCUYYMGN-LMMKCTJWSA-N 2 0 370.538 0.951 10 0 FCAERP C(CC[NH2+]C1CCN(CCN2CCOCC2)CC1)CCN1CC[NH2+]CC1 ZINC000925844968 1211508739 /nfs/dbraw/zinc/50/87/39/1211508739.db2.gz MVTQLQRAQDENSU-UHFFFAOYSA-N 2 0 367.582 0.448 10 0 FCAERP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926392746 1211544625 /nfs/dbraw/zinc/54/46/25/1211544625.db2.gz ADAQWJPXZLPNDR-LJQANCHMSA-N 2 0 366.506 0.166 10 0 FCAERP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926441609 1211548760 /nfs/dbraw/zinc/54/87/60/1211548760.db2.gz CVEMDGPSSNJTES-IBGZPJMESA-N 2 0 367.538 0.073 10 0 FCAERP CCO[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C[NH+](C)C ZINC000926842803 1211557063 /nfs/dbraw/zinc/55/70/63/1211557063.db2.gz SKVLVVTYGKJGBG-ROUUACIJSA-N 3 0 369.554 0.763 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927639509 1211578896 /nfs/dbraw/zinc/57/88/96/1211578896.db2.gz BPHOCXHICVNKNM-ROUUACIJSA-N 2 0 368.522 0.992 10 0 FCAERP Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000927815683 1211583029 /nfs/dbraw/zinc/58/30/29/1211583029.db2.gz JGMFFJDJPWDEOG-CABCVRRESA-N 2 0 362.474 0.846 10 0 FCAERP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C(=O)N1CCNCC[NH2+]CC1 ZINC000927878253 1211588779 /nfs/dbraw/zinc/58/87/79/1211588779.db2.gz IRSGWHYQADJZHU-UHFFFAOYSA-N 2 0 373.501 0.632 10 0 FCAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCNCC[NH2+]CC2)cc1 ZINC000927879639 1211589361 /nfs/dbraw/zinc/58/93/61/1211589361.db2.gz JHGWEBHCQAHKOR-UHFFFAOYSA-N 2 0 361.490 0.488 10 0 FCAERP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000927924951 1211593044 /nfs/dbraw/zinc/59/30/44/1211593044.db2.gz HRFQINPHNKKTMS-SFHVURJKSA-N 2 0 354.414 0.950 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2cncc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)c2)CC[NH+]1C ZINC000928433607 1211601746 /nfs/dbraw/zinc/60/17/46/1211601746.db2.gz MVOUNWFXEWJWCJ-BQGCOEIASA-N 2 0 359.474 0.726 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CCCC1 ZINC000929161621 1211619447 /nfs/dbraw/zinc/61/94/47/1211619447.db2.gz CGGBKBPUWQEHMS-HOTGVXAUSA-N 2 0 366.506 0.035 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000929169751 1211620921 /nfs/dbraw/zinc/62/09/21/1211620921.db2.gz ZEQZEABRRXRZDX-DLBZAZTESA-N 2 0 366.506 0.033 10 0 FCAERP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000929244753 1211625462 /nfs/dbraw/zinc/62/54/62/1211625462.db2.gz MOSRVRJOCCNQBW-IAGOWNOFSA-N 2 0 366.506 0.036 10 0 FCAERP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000929398926 1211635560 /nfs/dbraw/zinc/63/55/60/1211635560.db2.gz BZQHRZOLSBQKBG-DOTOQJQBSA-N 2 0 366.506 0.204 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccnc1 ZINC000929570087 1211647837 /nfs/dbraw/zinc/64/78/37/1211647837.db2.gz VQJAAQRZKINGPJ-BZSNNMDCSA-N 2 0 373.501 0.934 10 0 FCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000929954185 1211675460 /nfs/dbraw/zinc/67/54/60/1211675460.db2.gz FVZPEUVBVFKDGI-DLBZAZTESA-N 2 0 366.506 0.347 10 0 FCAERP C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccnc1 ZINC000929992301 1211678815 /nfs/dbraw/zinc/67/88/15/1211678815.db2.gz PQLUSUPWOBVDGI-QZTJIDSGSA-N 2 0 373.501 0.791 10 0 FCAERP CC(C)[C@]1(C(=O)NC[C@H]2CC[NH+](C)C2)C[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000930361994 1211705176 /nfs/dbraw/zinc/70/51/76/1211705176.db2.gz BDOMFWSAPHTSKN-PFRQMTDMSA-N 2 0 364.534 0.785 10 0 FCAERP C[C@H](CNC(=O)CN1CC[C@@H](n2cccn2)C1)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000930532612 1211713066 /nfs/dbraw/zinc/71/30/66/1211713066.db2.gz UDWNPIGWFKTBNZ-KZNAEPCWSA-N 2 0 371.489 0.778 10 0 FCAERP COC[C@@]1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C[NH2+]CCO1 ZINC000720810410 1214595796 /nfs/dbraw/zinc/59/57/96/1214595796.db2.gz UEKBQXRHQMPYKJ-CEWLAPEOSA-N 2 0 373.497 0.972 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+]1CCCCC1 ZINC000827322168 1216586851 /nfs/dbraw/zinc/58/68/51/1216586851.db2.gz UJXNXKQMPPZWFD-WBVHZDCISA-N 2 0 366.506 0.035 10 0 FCAERP O=C(NC[C@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC000900839880 1218045283 /nfs/dbraw/zinc/04/52/83/1218045283.db2.gz INWKUEOHBHPEMH-CVEARBPZSA-N 2 0 360.502 0.579 10 0 FCAERP C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000900902799 1218051532 /nfs/dbraw/zinc/05/15/32/1218051532.db2.gz ZUOOBWPBOAQSQY-VQTJNVASSA-N 2 0 361.486 0.586 10 0 FCAERP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000900903394 1218052126 /nfs/dbraw/zinc/05/21/26/1218052126.db2.gz HHGHJBTWMMBYGW-ICSRJNTNSA-N 2 0 361.486 0.715 10 0 FCAERP O=C(NC[C@H](NC(=O)C12CC[NH+](CC1)C2)C(F)(F)F)C12CC[NH+](CC1)C2 ZINC000901088043 1218078445 /nfs/dbraw/zinc/07/84/45/1218078445.db2.gz ZMVOFKGJAPGXKI-LBPRGKRZSA-N 2 0 374.407 0.341 10 0 FCAERP Cn1cnc2c1c(=O)n(CCC[NH2+][C@@H]1CC[NH2+]C13CCCC3)c(=O)n2C ZINC000903484176 1218423828 /nfs/dbraw/zinc/42/38/28/1218423828.db2.gz OYWFUTGSWNBRNL-CYBMUJFWSA-N 2 0 360.462 0.088 10 0 FCAERP O=C(CC[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2)N1CC[NH2+]CC1 ZINC000903564028 1218451788 /nfs/dbraw/zinc/45/17/88/1218451788.db2.gz NZWXMUYVLMJAOY-UHFFFAOYSA-N 2 0 372.469 0.465 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903750875 1218515789 /nfs/dbraw/zinc/51/57/89/1218515789.db2.gz WAUCPQAMQKORRL-OWCLPIDISA-N 2 0 366.506 0.141 10 0 FCAERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000903772626 1218521921 /nfs/dbraw/zinc/52/19/21/1218521921.db2.gz SHYYWFFTBKJPKR-QZTJIDSGSA-N 2 0 372.513 0.958 10 0 FCAERP Cc1cc(N2CC[C@H]([NH2+]C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2=O)n(C)n1 ZINC000903923271 1218566293 /nfs/dbraw/zinc/56/62/93/1218566293.db2.gz POFOBDORNLEJLA-ZBFHGGJFSA-N 2 0 359.478 0.283 10 0 FCAERP C[N@@H+]1C[C@H](C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)[C@@H](c2ccccc2)C1 ZINC001277178475 1225862468 /nfs/dbraw/zinc/86/24/68/1225862468.db2.gz XZPXOEROWNLHKK-IXDOHACOSA-N 2 0 356.470 0.459 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000783043359 1221206491 /nfs/dbraw/zinc/20/64/91/1221206491.db2.gz SUTHSOAADBZJKW-UHFFFAOYSA-N 2 0 361.490 0.787 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCCN2Cc2cccnc2)CC1=O ZINC001118270260 1221748391 /nfs/dbraw/zinc/74/83/91/1221748391.db2.gz XATJMYGIKONIAE-SFHVURJKSA-N 2 0 373.501 0.669 10 0 FCAERP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001119659506 1221946522 /nfs/dbraw/zinc/94/65/22/1221946522.db2.gz QTMKUWCZYGTWRY-TVPLGVNVSA-N 2 0 365.518 0.935 10 0 FCAERP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001119659505 1221946651 /nfs/dbraw/zinc/94/66/51/1221946651.db2.gz QTMKUWCZYGTWRY-FAFZWHIHSA-N 2 0 365.518 0.935 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000839286070 1222718551 /nfs/dbraw/zinc/71/85/51/1222718551.db2.gz JSXMKLGEJJXGPW-MRXNPFEDSA-N 2 0 361.490 0.349 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000818994666 1245316513 /nfs/dbraw/zinc/31/65/13/1245316513.db2.gz IRZHYCYNTJREHA-QGZVFWFLSA-N 2 0 370.538 0.831 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000818995463 1245316646 /nfs/dbraw/zinc/31/66/46/1245316646.db2.gz URVLGNCFSNREND-SJORKVTESA-N 2 0 370.538 0.831 10 0 FCAERP C[C@H]1CN(C(=[NH2+])NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000849096106 1245392466 /nfs/dbraw/zinc/39/24/66/1245392466.db2.gz ZVCFINFVROOYNC-INIZCTEOSA-N 2 0 361.494 0.624 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)cn1 ZINC000849512292 1245397159 /nfs/dbraw/zinc/39/71/59/1245397159.db2.gz BTYHYEBILPSAOF-ZJPYXAASSA-N 2 0 361.490 0.435 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)cn1 ZINC000849515354 1245398977 /nfs/dbraw/zinc/39/89/77/1245398977.db2.gz DBQOQWSPDNMLQE-IAGOWNOFSA-N 2 0 359.478 0.852 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849606693 1245407577 /nfs/dbraw/zinc/40/75/77/1245407577.db2.gz CFUDCELUIFIBIB-ROUUACIJSA-N 2 0 364.538 0.455 10 0 FCAERP O=C(CN1C(=O)CCC1=O)N1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923369608 1245712713 /nfs/dbraw/zinc/71/27/13/1245712713.db2.gz LIVBBVGVMDHUNM-MQVJKMGUSA-N 2 0 362.474 0.200 10 0 FCAERP Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416279 1245717846 /nfs/dbraw/zinc/71/78/46/1245717846.db2.gz VANGQDWGJKIOLX-KONPQCLYSA-N 2 0 361.442 0.602 10 0 FCAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC(=O)NCCN1CCc3ccccc31)CC2 ZINC000923450394 1245720087 /nfs/dbraw/zinc/72/00/87/1245720087.db2.gz HBXMASZBKWSXOD-GOSISDBHSA-N 2 0 372.513 0.995 10 0 FCAERP Cc1ccc(CNC(=O)c2nnc(CN3CC[NH2+]CC[NH2+]CC3)s2)cc1 ZINC000923461074 1245720500 /nfs/dbraw/zinc/72/05/00/1245720500.db2.gz LCILXCCTZVBZOY-UHFFFAOYSA-N 2 0 374.514 0.771 10 0 FCAERP Cc1cccc(Cn2[nH]ccc2=NC(=O)CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923463363 1245722274 /nfs/dbraw/zinc/72/22/74/1245722274.db2.gz QWNQUFMFOWEZNX-UHFFFAOYSA-N 2 0 356.474 0.095 10 0 FCAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001515168527 1265451883 /nfs/dbraw/zinc/45/18/83/1265451883.db2.gz SMWOZCFCWCCVMN-YESZJQIVSA-N 2 0 350.507 0.825 10 0 FCAERP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC001329163073 1265704125 /nfs/dbraw/zinc/70/41/25/1265704125.db2.gz OGBPMEFKAWEOBF-IRXDYDNUSA-N 2 0 366.506 0.156 10 0 FCAERP C[NH+](C)CC1(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001519290901 1265712651 /nfs/dbraw/zinc/71/26/51/1265712651.db2.gz KPXJMIRQGGEPGR-QFBILLFUSA-N 2 0 368.522 0.633 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)c1cccc2c1C[NH2+]CC2 ZINC001329504431 1265770545 /nfs/dbraw/zinc/77/05/45/1265770545.db2.gz IZBDUSZCUKCSPJ-ZDUSSCGKSA-N 2 0 372.469 0.798 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cnn(-c3ccccn3)c2N)C[C@H]1C[NH+](C)C ZINC001329606195 1265790206 /nfs/dbraw/zinc/79/02/06/1265790206.db2.gz BOHYMJRUFMEWTN-HUUCEWRRSA-N 2 0 371.489 0.661 10 0 FCAERP C[C@H](CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC001520193138 1265872005 /nfs/dbraw/zinc/87/20/05/1265872005.db2.gz YKXXFHFAFFULBJ-IAGOWNOFSA-N 2 0 355.527 0.375 10 0 FCAERP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001520926945 1266041910 /nfs/dbraw/zinc/04/19/10/1266041910.db2.gz DSLFLCHPTFREOQ-IMFGXOCKSA-N 2 0 365.518 0.983 10 0 FCAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nnnn1C1CC1 ZINC001331199926 1266170069 /nfs/dbraw/zinc/17/00/69/1266170069.db2.gz OACZUSFMRCQQDP-FVQBIDKESA-N 2 0 363.510 0.969 10 0 FCAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001335770564 1259831243 /nfs/dbraw/zinc/83/12/43/1259831243.db2.gz GYHAJDSPEODHAC-KLHDSHLOSA-N 2 0 361.490 0.876 10 0 FCAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001522013319 1266298918 /nfs/dbraw/zinc/29/89/18/1266298918.db2.gz XYNNAHNJUUFECA-BRWVUGGUSA-N 2 0 352.523 0.881 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cccc2c1C[NH2+]CC2 ZINC001261869487 1260204273 /nfs/dbraw/zinc/20/42/73/1260204273.db2.gz QXPAUFMLAOIJIF-HNNXBMFYSA-N 2 0 372.469 0.622 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)Cn2c3ccccc3oc2=O)C[C@H]1C[NH+](C)C ZINC001261880736 1260207718 /nfs/dbraw/zinc/20/77/18/1260207718.db2.gz MTKKMLNCBMHKHJ-HUUCEWRRSA-N 2 0 360.458 0.792 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCC(F)(F)CC2)C[C@H]1C[NH+](C)C ZINC001332057330 1266326444 /nfs/dbraw/zinc/32/64/44/1266326444.db2.gz SKFXDRNPYQOFHI-HUUCEWRRSA-N 2 0 374.476 0.832 10 0 FCAERP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265431036 1260413212 /nfs/dbraw/zinc/41/32/12/1260413212.db2.gz RHWJLXSBRXISJS-QLFBSQMISA-N 2 0 362.478 0.496 10 0 FCAERP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)N1CCC1 ZINC001265827574 1260419460 /nfs/dbraw/zinc/41/94/60/1260419460.db2.gz RVTBSNWGTILACB-JQHSSLGASA-N 2 0 358.486 0.658 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)NCCC3=CC[NH2+]CC3)cn2)CC1 ZINC001332119016 1266340042 /nfs/dbraw/zinc/34/00/42/1266340042.db2.gz IGKWYFDSRMIGKY-UHFFFAOYSA-N 2 0 360.462 0.514 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CN(C)CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001278854321 1260743020 /nfs/dbraw/zinc/74/30/20/1260743020.db2.gz AODXMPLBFYXTSM-HRCADAONSA-N 2 0 370.538 0.383 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)C[NH+](C)C(C)C)CC[N@@H+]1C ZINC001281279691 1261105011 /nfs/dbraw/zinc/10/50/11/1261105011.db2.gz FFZNDIVMSDHUKZ-YESZJQIVSA-N 2 0 370.538 0.335 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001281665019 1261139428 /nfs/dbraw/zinc/13/94/28/1261139428.db2.gz FSKYIVIRJFZDIH-BRWVUGGUSA-N 2 0 368.522 0.279 10 0 FCAERP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001281669641 1261141779 /nfs/dbraw/zinc/14/17/79/1261141779.db2.gz XRVKTENOJNIULY-IAGOWNOFSA-N 2 0 366.506 0.036 10 0 FCAERP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1OC)[NH+](C)C ZINC001281841282 1261225326 /nfs/dbraw/zinc/22/53/26/1261225326.db2.gz RNBXETBAKLNFMI-BZUAXINKSA-N 2 0 366.506 0.297 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001281891849 1261261888 /nfs/dbraw/zinc/26/18/88/1261261888.db2.gz FSBMXYSMVAGGHX-CVEARBPZSA-N 2 0 368.522 0.279 10 0 FCAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001281904402 1261273498 /nfs/dbraw/zinc/27/34/98/1261273498.db2.gz GSEGPXPZWSMBFB-SJORKVTESA-N 2 0 366.506 0.036 10 0 FCAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)C1 ZINC001281923317 1261288746 /nfs/dbraw/zinc/28/87/46/1261288746.db2.gz JJSUADAVIYATLM-ZACQAIPSSA-N 2 0 368.522 0.138 10 0 FCAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 ZINC001281951482 1261305782 /nfs/dbraw/zinc/30/57/82/1261305782.db2.gz GOIUHBCSWDUZAM-BRWVUGGUSA-N 2 0 366.506 0.108 10 0 FCAERP CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001282382798 1261439020 /nfs/dbraw/zinc/43/90/20/1261439020.db2.gz ZPZZPZZVRVTRLP-WBVHZDCISA-N 2 0 368.522 0.545 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001282446961 1261458952 /nfs/dbraw/zinc/45/89/52/1261458952.db2.gz BYRFRTOCNJLEIZ-AXVVYFOYSA-N 2 0 364.534 0.975 10 0 FCAERP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001289530398 1262240170 /nfs/dbraw/zinc/24/01/70/1262240170.db2.gz WOMLANOUXGAGNK-MWDXBVQZSA-N 2 0 368.522 0.401 10 0 FCAERP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001290523307 1262462351 /nfs/dbraw/zinc/46/23/51/1262462351.db2.gz QCXWMIOCMVSEDC-MSOLQXFVSA-N 2 0 364.534 0.977 10 0 FCAERP C[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001290526126 1262463549 /nfs/dbraw/zinc/46/35/49/1262463549.db2.gz OPYPKWKCEQVXCI-SJORKVTESA-N 2 0 362.518 0.873 10 0 FCAERP C[NH+](C)CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001290826053 1262515513 /nfs/dbraw/zinc/51/55/13/1262515513.db2.gz UOYFWKZWFIVIOL-QKLQHJQFSA-N 2 0 364.534 0.977 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001290837383 1262517752 /nfs/dbraw/zinc/51/77/52/1262517752.db2.gz VAPILTWQNGMWFB-FUHIMQAGSA-N 2 0 364.534 0.977 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001295251629 1262760711 /nfs/dbraw/zinc/76/07/11/1262760711.db2.gz BLIXZJNUQUSGGU-BRWVUGGUSA-N 2 0 368.522 0.260 10 0 FCAERP O=C(NCC[NH+]1CCC(O)CC1)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001298012703 1262906173 /nfs/dbraw/zinc/90/61/73/1262906173.db2.gz ANTATLBDOWXAPV-HXUWFJFHSA-N 2 0 361.486 0.586 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C[NH2+][C@@H](C)c1nncn1C ZINC001479547294 1263249151 /nfs/dbraw/zinc/24/91/51/1263249151.db2.gz QFOKGHBLVRLTSZ-ARFHVFGLSA-N 2 0 366.510 0.669 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001479546629 1263249360 /nfs/dbraw/zinc/24/93/60/1263249360.db2.gz FZCKFDOIIFKANJ-NVXWUHKLSA-N 2 0 351.495 0.713 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)C[C@H]2CCCS(=O)(=O)C2)CC[N@@H+]1C ZINC001479771764 1263409910 /nfs/dbraw/zinc/40/99/10/1263409910.db2.gz RKSDYNZCWPYOKF-BZUAXINKSA-N 2 0 359.536 0.590 10 0 FCAERP CC[C@@H](C[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1)OC ZINC001479931561 1263418211 /nfs/dbraw/zinc/41/82/11/1263418211.db2.gz ZKARTTRMIMPLIC-OKZBNKHCSA-N 2 0 354.539 0.876 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001480765563 1263435356 /nfs/dbraw/zinc/43/53/56/1263435356.db2.gz NTTUTCXBAWLQOW-SOUVJXGZSA-N 2 0 362.478 0.630 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC001316737741 1263445897 /nfs/dbraw/zinc/44/58/97/1263445897.db2.gz XUSCWFUESBUONB-UONOGXRCSA-N 2 0 367.494 0.238 10 0 FCAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(C)C)CC[C@@H]2C1 ZINC001316754010 1263457514 /nfs/dbraw/zinc/45/75/14/1263457514.db2.gz QBHQVUYEHUSDSG-IKGGRYGDSA-N 2 0 370.513 0.971 10 0 FCAERP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001316756702 1263461365 /nfs/dbraw/zinc/46/13/65/1263461365.db2.gz IFQXYOMHDUWOSE-ZACQAIPSSA-N 2 0 368.522 0.260 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001316786779 1263476533 /nfs/dbraw/zinc/47/65/33/1263476533.db2.gz PELDFRUDYCKHNB-WBVHZDCISA-N 2 0 362.518 0.968 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)[C@@H](C)C(=O)NC(=O)NC)CC[N@@H+]1C ZINC001316893168 1263494126 /nfs/dbraw/zinc/49/41/26/1263494126.db2.gz MLPRSFPLIXHFST-SOUVJXGZSA-N 2 0 369.510 0.389 10 0 FCAERP Cc1cc(NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001485877176 1263518615 /nfs/dbraw/zinc/51/86/15/1263518615.db2.gz LNHNYGMNUCTUHA-IACUBPJLSA-N 2 0 351.451 0.698 10 0 FCAERP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(C(N)=O)CC1 ZINC001319858729 1263737178 /nfs/dbraw/zinc/73/71/78/1263737178.db2.gz KWPZWOBQDNWSDF-KRWDZBQOSA-N 2 0 361.490 0.408 10 0 FCAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nnc2n1CCOC2 ZINC001319918490 1263743867 /nfs/dbraw/zinc/74/38/67/1263743867.db2.gz XALJXODMNZQEAB-RBSFLKMASA-N 2 0 364.494 0.379 10 0 FCAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1nc(=O)n(C)[nH]1 ZINC001493858270 1263744028 /nfs/dbraw/zinc/74/40/28/1263744028.db2.gz BNBPODDFHQOTJZ-ZIAGYGMSSA-N 2 0 352.483 0.165 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CC[NH+](CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001494021292 1263749371 /nfs/dbraw/zinc/74/93/71/1263749371.db2.gz PBEVKEHEBCRWMX-SOUVJXGZSA-N 2 0 367.494 0.001 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C(C)C)CC[N@@H+]1C ZINC001496560822 1263880168 /nfs/dbraw/zinc/88/01/68/1263880168.db2.gz GQUWSXONGJSJSK-BFHYXJOUSA-N 2 0 352.483 0.069 10 0 FCAERP COCCCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001500347307 1264065231 /nfs/dbraw/zinc/06/52/31/1264065231.db2.gz CZGKDMOXDSRMBP-MDZRGWNJSA-N 2 0 368.522 0.308 10 0 FCAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001500837885 1264089684 /nfs/dbraw/zinc/08/96/84/1264089684.db2.gz HZMDOGNNLURUBK-BZUAXINKSA-N 2 0 350.507 0.679 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001321957458 1264110283 /nfs/dbraw/zinc/11/02/83/1264110283.db2.gz DIGASOYDEXDGSJ-OALUTQOASA-N 2 0 372.513 0.972 10 0 FCAERP COc1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001501459118 1264123425 /nfs/dbraw/zinc/12/34/25/1264123425.db2.gz CERFLARKFJTPDE-GDBMZVCRSA-N 2 0 350.463 0.341 10 0 FCAERP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1 ZINC001502053900 1264159409 /nfs/dbraw/zinc/15/94/09/1264159409.db2.gz QOBUPJXBSSIZNI-IXDOHACOSA-N 2 0 368.522 0.450 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NCC(C)(C)C)C[C@H]32)CC[N@@H+]1C ZINC001506784634 1264340169 /nfs/dbraw/zinc/34/01/69/1264340169.db2.gz IPMDKXRJJUETGY-HHARLNAUSA-N 2 0 364.534 0.783 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001506882980 1264346270 /nfs/dbraw/zinc/34/62/70/1264346270.db2.gz HUXMFZXTISQLFU-KLHDSHLOSA-N 2 0 371.547 0.636 10 0 FCAERP Cn1cncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001507242406 1264361585 /nfs/dbraw/zinc/36/15/85/1264361585.db2.gz XFOLDHZZVYYABR-UHOSZYNNSA-N 2 0 371.485 0.332 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC(C)(C)C)CC[N@@H+]1C ZINC001507479221 1264363127 /nfs/dbraw/zinc/36/31/27/1264363127.db2.gz RLTUNXHXFFXNND-OWCLPIDISA-N 2 0 370.538 0.288 10 0 FCAERP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)Nc1ncccn1 ZINC001323441164 1264430104 /nfs/dbraw/zinc/43/01/04/1264430104.db2.gz GUYIUWBTKTYEEX-BFHYXJOUSA-N 2 0 360.462 0.382 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCOCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001510197202 1264486457 /nfs/dbraw/zinc/48/64/57/1264486457.db2.gz UNZROBQIZOFZHZ-BRWVUGGUSA-N 2 0 368.522 0.260 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1C ZINC001511602637 1264565680 /nfs/dbraw/zinc/56/56/80/1264565680.db2.gz UQQCUYVJCWPVQB-BZUAXINKSA-N 2 0 368.522 0.137 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001512813967 1264667546 /nfs/dbraw/zinc/66/75/46/1264667546.db2.gz AOYUVMQZPUPYJC-OKZBNKHCSA-N 2 0 362.518 0.729 10 0 FCAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001512991011 1264804798 /nfs/dbraw/zinc/80/47/98/1264804798.db2.gz VBICKTWAIJRFIP-BRWVUGGUSA-N 2 0 368.522 0.281 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001512999915 1264821580 /nfs/dbraw/zinc/82/15/80/1264821580.db2.gz NPGKJMUNPXXVCD-IAGOWNOFSA-N 2 0 362.474 0.001 10 0 FCAERP C[NH+]1CCN(c2ccccc2CNC(=O)N2CCOC3(C[NH2+]C3)C2)CC1 ZINC001325311701 1264842686 /nfs/dbraw/zinc/84/26/86/1264842686.db2.gz SIWFWKOAPRCYAD-UHFFFAOYSA-N 2 0 359.474 0.322 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001513386729 1265083609 /nfs/dbraw/zinc/08/36/09/1265083609.db2.gz SSYWNVGTPPTAAZ-HUUCEWRRSA-N 2 0 354.495 0.155 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001522308238 1266483592 /nfs/dbraw/zinc/48/35/92/1266483592.db2.gz NSHGITOGSQDLPF-VQHPVUNQSA-N 2 0 350.507 0.917 10 0 FCAERP C[C@@H](CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)N1CC[NH+](C)CC1 ZINC001528435030 1266970415 /nfs/dbraw/zinc/97/04/15/1266970415.db2.gz YJTBXJOVCFBIGJ-INIZCTEOSA-N 2 0 353.511 0.129 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1)c1cccc2c1C[NH2+]CC2 ZINC001334404802 1266983599 /nfs/dbraw/zinc/98/35/99/1266983599.db2.gz AQMFBUIPKZYOOQ-BBRMVZONSA-N 2 0 372.469 0.655 10 0 FCAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001334551082 1267071616 /nfs/dbraw/zinc/07/16/16/1267071616.db2.gz ULBNXXDZONCBEE-KRWDZBQOSA-N 2 0 364.490 0.099 10 0 FCAERP CCC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001536461961 1267327272 /nfs/dbraw/zinc/32/72/72/1267327272.db2.gz NKJYJNDZPWZRTO-HZPDHXFCSA-N 2 0 361.490 0.925 10 0 FCAERP O[C@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C1(O)CCOCC1 ZINC001340783163 1268654015 /nfs/dbraw/zinc/65/40/15/1268654015.db2.gz MGTFRRKNTPJSNI-GOSISDBHSA-N 2 0 356.507 0.713 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001341056210 1268765062 /nfs/dbraw/zinc/76/50/62/1268765062.db2.gz LVRYEEIETSYAJR-RCCFBDPRSA-N 2 0 362.518 0.728 10 0 FCAERP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001565927383 1269522977 /nfs/dbraw/zinc/52/29/77/1269522977.db2.gz YIRPXOYIROFWAL-HYVNUMGLSA-N 2 0 351.495 0.417 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001565956791 1269531060 /nfs/dbraw/zinc/53/10/60/1269531060.db2.gz KZPMMPLUPYMVFT-GDBMZVCRSA-N 2 0 352.483 0.108 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C[NH2+][C@H](C)c1nnnn1C ZINC001565956843 1269531766 /nfs/dbraw/zinc/53/17/66/1269531766.db2.gz NFUMLLQPUHHLAJ-RBSFLKMASA-N 2 0 367.498 0.064 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCN1CCNC1=O ZINC001566115693 1269616645 /nfs/dbraw/zinc/61/66/45/1269616645.db2.gz OEVCJHFVDAHQMA-CVEARBPZSA-N 2 0 351.495 0.467 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCCN2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001566639687 1269652741 /nfs/dbraw/zinc/65/27/41/1269652741.db2.gz BTJGOYZLJJQZHD-GBESFXJTSA-N 2 0 366.550 0.877 10 0 FCAERP Cc1nnc(NC(=O)C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001566766037 1269664143 /nfs/dbraw/zinc/66/41/43/1269664143.db2.gz QKROIPLUXNUWSV-KGYLQXTDSA-N 2 0 366.491 0.316 10 0 FCAERP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001566972120 1269670875 /nfs/dbraw/zinc/67/08/75/1269670875.db2.gz XFADYZRPLBSZGB-KPLDXPABSA-N 2 0 350.507 0.628 10 0 FCAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCNC(=O)NC(C)(C)C ZINC001567958379 1269716247 /nfs/dbraw/zinc/71/62/47/1269716247.db2.gz NBLBXXPTAOOGPR-QLFBSQMISA-N 2 0 355.527 0.909 10 0 FCAERP Cc1cc(NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)on1 ZINC001568632191 1269742837 /nfs/dbraw/zinc/74/28/37/1269742837.db2.gz JVAVRQRHMCCMKK-IACUBPJLSA-N 2 0 351.451 0.746 10 0 FCAERP CCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568743800 1269747211 /nfs/dbraw/zinc/74/72/11/1269747211.db2.gz QLBXIMYBCNTYPG-UONOGXRCSA-N 2 0 355.483 0.001 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CCN2CCNC2=O)C2CC2)CC[N@@H+]1C ZINC001569304268 1269774422 /nfs/dbraw/zinc/77/44/22/1269774422.db2.gz IKZCPDUUUBAPTB-HRCADAONSA-N 2 0 351.495 0.226 10 0 FCAERP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001343108772 1269775476 /nfs/dbraw/zinc/77/54/76/1269775476.db2.gz IAAMXMLAAFEGID-ARFHVFGLSA-N 2 0 368.522 0.401 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]C[C@H](O)c2ccccc2F)CC[N@@H+]1C ZINC001569933897 1269821356 /nfs/dbraw/zinc/82/13/56/1269821356.db2.gz KEIPQVCXYWNGBB-RKVPGOIHSA-N 2 0 367.465 0.610 10 0 FCAERP COC[C@@H](O)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001570519448 1269897477 /nfs/dbraw/zinc/89/74/77/1269897477.db2.gz NSVXBBNJZNJQLN-MWMOWRLXSA-N 2 0 361.486 0.706 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1O ZINC001343453068 1269913130 /nfs/dbraw/zinc/91/31/30/1269913130.db2.gz NKJQGYACASUGTM-ZACQAIPSSA-N 2 0 368.522 0.281 10 0 FCAERP CCC(CC)NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001570925124 1269921875 /nfs/dbraw/zinc/92/18/75/1269921875.db2.gz ZFMBCXSDDOVDNO-FGTAOJJYSA-N 2 0 364.534 0.925 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C2CCCCC2)CC[N@@H+]1C ZINC001571429591 1269932783 /nfs/dbraw/zinc/93/27/83/1269932783.db2.gz GYJUOGVFRVCQBF-BFYDXBDKSA-N 2 0 368.522 0.184 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CCc2scnc2C)CC[N@@H+]1C ZINC001571429379 1269933667 /nfs/dbraw/zinc/93/36/67/1269933667.db2.gz BXURMOMTTXNFJP-QLFBSQMISA-N 2 0 354.520 0.791 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)CC2([NH+](C)C)CCCC2)CC[N@@H+]1C ZINC001572331057 1270035472 /nfs/dbraw/zinc/03/54/72/1270035472.db2.gz WTAHZPJURBDFER-OWCLPIDISA-N 2 0 368.522 0.184 10 0 FCAERP CCO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001344426613 1270177018 /nfs/dbraw/zinc/17/70/18/1270177018.db2.gz BGZFYFDQHTVEGK-BRWVUGGUSA-N 2 0 368.522 0.402 10 0 FCAERP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001572842117 1270239242 /nfs/dbraw/zinc/23/92/42/1270239242.db2.gz IZJXGYLXHHAXJS-HUUCEWRRSA-N 2 0 368.522 0.279 10 0 FCAERP 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CC[C@@H]1[C@@H](C(=O)NCCCN(C)C(=O)[C@H]2CN(CC)CCO2)CC[N@@H+]1C ZINC001577090190 1274149329 /nfs/dbraw/zinc/14/93/29/1274149329.db2.gz SLBPKIVPDYJOOM-GVDBMIGSSA-N 2 0 368.522 0.402 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001713593617 1287287239 /nfs/dbraw/zinc/28/72/39/1287287239.db2.gz RIGMYBJEYZMGJN-RWMBFGLXSA-N 2 0 366.428 0.832 10 0 FCAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001714071783 1287311573 /nfs/dbraw/zinc/31/15/73/1287311573.db2.gz DOEVAAYSDJVCTO-HZSPNIEDSA-N 2 0 367.494 0.141 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCN3C(=O)CCC3=O)CCCC2)CC[N@@H+]1C ZINC001715095075 1287344814 /nfs/dbraw/zinc/34/48/14/1287344814.db2.gz OFRFOFGDMFKUAM-HUUCEWRRSA-N 2 0 364.490 0.494 10 0 FCAERP C[C@@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715325968 1287350465 /nfs/dbraw/zinc/35/04/65/1287350465.db2.gz DHMHVWPLJKMHIF-BFHYXJOUSA-N 2 0 369.510 0.387 10 0 FCAERP C[C@@H](CC[NH2+]CC(=O)NC1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715643385 1287359509 /nfs/dbraw/zinc/35/95/09/1287359509.db2.gz BZVYWKVOZMTWIA-SQWLQELKSA-N 2 0 354.495 0.106 10 0 FCAERP C[C@@H](C[NH2+]CCc1nnn(C(C)(C)C)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715976281 1287366473 /nfs/dbraw/zinc/36/64/73/1287366473.db2.gz JYTUQAXUAHMYIE-BFHYXJOUSA-N 2 0 351.499 0.405 10 0 FCAERP C[C@@H](C[NH2+]CC(=O)NCc1ccccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715978605 1287367850 /nfs/dbraw/zinc/36/78/50/1287367850.db2.gz YQOGKKIXLARTCA-SQWLQELKSA-N 2 0 364.465 0.876 10 0 FCAERP COc1c(F)cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1F ZINC001716087753 1287370233 /nfs/dbraw/zinc/37/02/33/1287370233.db2.gz MJSBDQKQRXYEIE-MRVWCRGKSA-N 2 0 371.428 0.880 10 0 FCAERP CCN(CC[NH2+]CC(=O)Nc1cc(C)no1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716217935 1287374321 /nfs/dbraw/zinc/37/43/21/1287374321.db2.gz MTEYDPBDEDJVCN-ZIAGYGMSSA-N 2 0 351.451 0.700 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)Nc2cc(C)on2)CC[N@@H+]1C ZINC001716295425 1287375091 /nfs/dbraw/zinc/37/50/91/1287375091.db2.gz PIHGUSGSXDZRTR-RWCKICOTSA-N 2 0 363.462 0.914 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NC2CCCC2)C2CC2)CC[N@@H+]1C ZINC001716612151 1287384422 /nfs/dbraw/zinc/38/44/22/1287384422.db2.gz ZHRZHGXPBXOZGO-KBRIMQKVSA-N 2 0 350.507 0.870 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+][C@@H](C)C(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001717050655 1287404635 /nfs/dbraw/zinc/40/46/35/1287404635.db2.gz CVWTUFRLHSCFST-HRCADAONSA-N 2 0 370.538 0.430 10 0 FCAERP CCOCCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001717188217 1287411959 /nfs/dbraw/zinc/41/19/59/1287411959.db2.gz AILLLUAPZYQRLW-CEXWTWQISA-N 2 0 366.550 0.972 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001717640627 1287431227 /nfs/dbraw/zinc/43/12/27/1287431227.db2.gz FQJCFYJHPPOOBV-MUIFIZLQSA-N 2 0 350.507 0.870 10 0 FCAERP COc1cccc(C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n1 ZINC001717938401 1287447393 /nfs/dbraw/zinc/44/73/93/1287447393.db2.gz LCMYMVVQBQXYMS-HYVNUMGLSA-N 2 0 364.490 0.682 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)CC[NH+](C)C)C3)C2)CC[N@@H+]1C ZINC001718934925 1287595496 /nfs/dbraw/zinc/59/54/96/1287595496.db2.gz AUQUJJQNWFZKDM-JKSUJKDBSA-N 2 0 350.507 0.729 10 0 FCAERP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001639547280 1282793447 /nfs/dbraw/zinc/79/34/47/1282793447.db2.gz CZDLDGQVUZCUJF-SJORKVTESA-N 2 0 368.522 0.356 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001719072783 1287656909 /nfs/dbraw/zinc/65/69/09/1287656909.db2.gz QYQOBXIHQVJJTK-IXDOHACOSA-N 2 0 350.507 0.728 10 0 FCAERP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001683085923 1283860266 /nfs/dbraw/zinc/86/02/66/1283860266.db2.gz CYXDGFDVUPGHNL-NVXWUHKLSA-N 2 0 368.522 0.402 10 0 FCAERP 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CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001668065358 1291954316 /nfs/dbraw/zinc/95/43/16/1291954316.db2.gz KWJSUISTHCGWON-QLFBSQMISA-N 2 0 352.479 0.350 10 0 FCAERP CCc1onc(C)c1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001671998707 1292054944 /nfs/dbraw/zinc/05/49/44/1292054944.db2.gz NMPFXJCMOXDTBX-CLCXKQKWSA-N 2 0 364.490 0.939 10 0 FCAERP CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)C12CC[NH+](CC1)C2 ZINC001687719952 1293005935 /nfs/dbraw/zinc/00/59/35/1293005935.db2.gz PAGSHEQWAQXHBO-HZPDHXFCSA-N 2 0 350.507 0.777 10 0 FCAERP CN1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000694894515 836098185 /nfs/dbraw/zinc/09/81/85/836098185.db2.gz QEGFRFURLGYFBH-QZTJIDSGSA-N 2 0 366.531 0.474 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000747558276 836248913 /nfs/dbraw/zinc/24/89/13/836248913.db2.gz UIVUNISRLZAJTB-HZPDHXFCSA-N 2 0 350.467 0.508 10 0 FCAERP 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ZINC000173788818 488845498 /nfs/dbraw/zinc/84/54/98/488845498.db2.gz NPMGKAXELWZMTM-DLBZAZTESA-N 2 0 354.495 0.459 10 0 FCAERP CN1CCO[C@H](CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000174748438 488850948 /nfs/dbraw/zinc/85/09/48/488850948.db2.gz RAJIPNOVXHZVIH-QGZVFWFLSA-N 2 0 354.495 0.603 10 0 FCAERP C[NH+]1CCC[C@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+]2C)ccn1 ZINC000174832566 488851550 /nfs/dbraw/zinc/85/15/50/488851550.db2.gz JYWZSRXHSLXAPN-CVEARBPZSA-N 2 0 359.474 0.730 10 0 FCAERP C[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000175781608 488855639 /nfs/dbraw/zinc/85/56/39/488855639.db2.gz XRVKRBVVVYRZJW-SJORKVTESA-N 2 0 355.527 0.016 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181738965 488863717 /nfs/dbraw/zinc/86/37/17/488863717.db2.gz NOEAYXOIHVMIJM-AEFFLSMTSA-N 2 0 370.538 0.831 10 0 FCAERP Cn1ncc(Cl)c1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000331160404 489179621 /nfs/dbraw/zinc/17/96/21/489179621.db2.gz DYUOADPOWYTYAP-UHFFFAOYSA-N 2 0 363.915 0.720 10 0 FCAERP CCOC(=O)N1CCC(NC(=O)CN2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366484542 489188029 /nfs/dbraw/zinc/18/80/29/489188029.db2.gz TZKMYDZAVBKBSG-GOSISDBHSA-N 2 0 352.479 0.751 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000563451266 491248347 /nfs/dbraw/zinc/24/83/47/491248347.db2.gz KXHHJMJUKNFDEE-IBGZPJMESA-N 2 0 365.522 0.762 10 0 FCAERP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000286050256 489350273 /nfs/dbraw/zinc/35/02/73/489350273.db2.gz RZMGLUAFQLKGRL-DLBZAZTESA-N 2 0 362.474 0.242 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000555570132 491256079 /nfs/dbraw/zinc/25/60/79/491256079.db2.gz JUZJFSJKLSQYSQ-SJORKVTESA-N 2 0 350.507 0.920 10 0 FCAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000423084564 489492162 /nfs/dbraw/zinc/49/21/62/489492162.db2.gz IJEJGBYTNGGABL-DOTOQJQBSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C[C@@]1(C)C[NH3+] ZINC000423225355 489505013 /nfs/dbraw/zinc/50/50/13/489505013.db2.gz MLHUDWGNWTXFRL-JTDSTZFVSA-N 2 0 350.507 0.907 10 0 FCAERP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000423224690 489505156 /nfs/dbraw/zinc/50/51/56/489505156.db2.gz JWTPUAIWYFMWFU-IRXDYDNUSA-N 2 0 350.507 0.921 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423259247 489508741 /nfs/dbraw/zinc/50/87/41/489508741.db2.gz DJVFFZVFIRHAIR-HZPDHXFCSA-N 2 0 354.495 0.014 10 0 FCAERP CC[C@@H]1C[N@H+](CC)CCN1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000451726009 489519842 /nfs/dbraw/zinc/51/98/42/489519842.db2.gz QBMNZUSXOTWPKH-QZTJIDSGSA-N 2 0 354.539 0.876 10 0 FCAERP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000563639401 491260660 /nfs/dbraw/zinc/26/06/60/491260660.db2.gz DOUPPLLVETVWDO-JKSUJKDBSA-N 2 0 355.527 0.109 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415603030 489535723 /nfs/dbraw/zinc/53/57/23/489535723.db2.gz AAJISLZKXMVGOA-QAPCUYQASA-N 2 0 373.501 0.487 10 0 FCAERP Cc1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000415627914 489538455 /nfs/dbraw/zinc/53/84/55/489538455.db2.gz SXMHJCWEYARYDK-GDBMZVCRSA-N 2 0 362.474 0.988 10 0 FCAERP Cc1ccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000415627916 489538522 /nfs/dbraw/zinc/53/85/22/489538522.db2.gz SXMHJCWEYARYDK-HOCLYGCPSA-N 2 0 362.474 0.988 10 0 FCAERP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(OC[C@H]3CCCCO3)CC2)C1=O ZINC000426088711 489554894 /nfs/dbraw/zinc/55/48/94/489554894.db2.gz ZRTQTHIMHKQDHO-IAGOWNOFSA-N 2 0 367.490 0.726 10 0 FCAERP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415865500 489561694 /nfs/dbraw/zinc/56/16/94/489561694.db2.gz BCQFIEWHAARQRA-UHFFFAOYSA-N 2 0 372.469 0.464 10 0 FCAERP C[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@@H](C)C[N@@H+]1CCO ZINC000416297993 489579750 /nfs/dbraw/zinc/57/97/50/489579750.db2.gz QEHLJEBQZXSWCW-SJORKVTESA-N 2 0 353.507 0.935 10 0 FCAERP C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CN3CCOCC3)cc2)CC1 ZINC000570794527 491265041 /nfs/dbraw/zinc/26/50/41/491265041.db2.gz WPKXWVCAQRTTJS-HXUWFJFHSA-N 2 0 362.518 0.217 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417202352 489644466 /nfs/dbraw/zinc/64/44/66/489644466.db2.gz XJCSYTHCVBMHMN-RTBURBONSA-N 2 0 359.518 0.848 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417430199 489652923 /nfs/dbraw/zinc/65/29/23/489652923.db2.gz ORWMMQPNDUYANZ-HOTGVXAUSA-N 2 0 351.495 0.465 10 0 FCAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCNS(=O)(=O)NC(C)C ZINC000428565172 489653849 /nfs/dbraw/zinc/65/38/49/489653849.db2.gz ZFYITMMSYXFXEH-UHFFFAOYSA-N 2 0 352.464 0.498 10 0 FCAERP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000417826195 489667592 /nfs/dbraw/zinc/66/75/92/489667592.db2.gz DBLAUFYJRKDAJL-PVAVHDDUSA-N 2 0 362.449 0.503 10 0 FCAERP COc1cccc([C@@H]2[C@H](NC(=O)N(CC[NH3+])CCO)CC[N@@H+]2C2CC2)c1 ZINC000417985751 489674386 /nfs/dbraw/zinc/67/43/86/489674386.db2.gz HMZNVIWJJDKSRI-QZTJIDSGSA-N 2 0 362.474 0.936 10 0 FCAERP C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C[NH+]1CCN(C)CC1 ZINC000458434414 489683377 /nfs/dbraw/zinc/68/33/77/489683377.db2.gz JMCPGHVJFCTAHV-IAGOWNOFSA-N 2 0 355.527 0.016 10 0 FCAERP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000458446384 489684495 /nfs/dbraw/zinc/68/44/95/489684495.db2.gz WOZPPNWOHZYWIH-OAHLLOKOSA-N 2 0 358.446 0.721 10 0 FCAERP C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000418849644 489755699 /nfs/dbraw/zinc/75/56/99/489755699.db2.gz DCJSDULRPIIHHW-SFHVURJKSA-N 2 0 360.502 0.734 10 0 FCAERP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474383840 489759439 /nfs/dbraw/zinc/75/94/39/489759439.db2.gz LEOCYZNOUGSBHW-KLAILNCOSA-N 2 0 365.522 0.890 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000418875295 489769988 /nfs/dbraw/zinc/76/99/88/489769988.db2.gz KGUDIDGGPNMTEI-VJANTYMQSA-N 2 0 372.513 0.861 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418877908 489770838 /nfs/dbraw/zinc/77/08/38/489770838.db2.gz PXYJTVDEKRHSDA-MSOLQXFVSA-N 2 0 360.502 0.909 10 0 FCAERP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)CCCO1 ZINC000418884510 489774917 /nfs/dbraw/zinc/77/49/17/489774917.db2.gz WUOLPJLBSQASMB-INIZCTEOSA-N 2 0 368.522 0.771 10 0 FCAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000418971499 489808050 /nfs/dbraw/zinc/80/80/50/489808050.db2.gz XUVRRMWBIJYIMM-TZMCWYRMSA-N 2 0 350.438 0.699 10 0 FCAERP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418985357 489810091 /nfs/dbraw/zinc/81/00/91/489810091.db2.gz WMFHPSWBKVXAJM-KRWDZBQOSA-N 2 0 355.442 0.941 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433322401 489876484 /nfs/dbraw/zinc/87/64/84/489876484.db2.gz QKYHVKWNVIJKTD-DLBZAZTESA-N 2 0 356.511 0.897 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)[C@@H](C)C1 ZINC000420042817 489890998 /nfs/dbraw/zinc/89/09/98/489890998.db2.gz RBNDDSNUALIQGC-XGUBFFRZSA-N 2 0 354.495 0.404 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420090535 489908549 /nfs/dbraw/zinc/90/85/49/489908549.db2.gz AYQTUOOWSQKSKT-AWEZNQCLSA-N 2 0 350.463 0.359 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000420108809 489914743 /nfs/dbraw/zinc/91/47/43/489914743.db2.gz AFOLUPSSCXLSIN-KCXAZCMYSA-N 2 0 350.438 0.659 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420114425 489917370 /nfs/dbraw/zinc/91/73/70/489917370.db2.gz JMZRSDMHOZXXQN-OQIJWPOYSA-N 2 0 370.497 0.691 10 0 FCAERP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)CC1 ZINC000420127820 489921438 /nfs/dbraw/zinc/92/14/38/489921438.db2.gz PIFKQSODKJRPEF-XGHPGWEVSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000420130145 489922736 /nfs/dbraw/zinc/92/27/36/489922736.db2.gz XROXRCYREJBGPH-UKRRQHHQSA-N 2 0 352.504 0.753 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420133636 489924390 /nfs/dbraw/zinc/92/43/90/489924390.db2.gz CQOLMZYBPBTOHZ-PBHICJAKSA-N 2 0 364.465 0.830 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)o1 ZINC000420137479 489926770 /nfs/dbraw/zinc/92/67/70/489926770.db2.gz WWYXALQOJBULRM-XJKSGUPXSA-N 2 0 350.463 0.592 10 0 FCAERP COc1ccc(OC)c(CCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000571158631 491289311 /nfs/dbraw/zinc/28/93/11/491289311.db2.gz PRHRQFPZHNETQL-QGZVFWFLSA-N 2 0 351.491 0.834 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000496263114 490109402 /nfs/dbraw/zinc/10/94/02/490109402.db2.gz HYQXCBASAAFUJA-HZPDHXFCSA-N 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COCC[C@]1([NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC000447404087 490231962 /nfs/dbraw/zinc/23/19/62/490231962.db2.gz IFUPQDLAWFLXGF-WMZOPIPTSA-N 2 0 357.495 0.245 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422293182 490238205 /nfs/dbraw/zinc/23/82/05/490238205.db2.gz KMIGIHWIVWLLDO-HZPDHXFCSA-N 2 0 354.495 0.062 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1 ZINC000422300442 490242371 /nfs/dbraw/zinc/24/23/71/490242371.db2.gz UBDWJQOERRMBRN-HZPDHXFCSA-N 2 0 354.495 0.155 10 0 FCAERP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000521450268 490264489 /nfs/dbraw/zinc/26/44/89/490264489.db2.gz QIGJUDNPMJVASW-GPANFISMSA-N 2 0 354.495 0.060 10 0 FCAERP COC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)c1 ZINC000521478771 490268451 /nfs/dbraw/zinc/26/84/51/490268451.db2.gz DRYVFEYVKNSOQU-UHFFFAOYSA-N 2 0 371.503 0.896 10 0 FCAERP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2ccc3c[nH+]cn3c2)C[C@H](C)O1 ZINC000422476107 490345149 /nfs/dbraw/zinc/34/51/49/490345149.db2.gz UKACGUNIBURSBR-GASCZTMLSA-N 2 0 373.457 0.566 10 0 FCAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CN3CCOCC3)cn2)CC1 ZINC000564722829 491322165 /nfs/dbraw/zinc/32/21/65/491322165.db2.gz TUUBAHCYEHXEJB-SFHVURJKSA-N 2 0 363.506 0.006 10 0 FCAERP C[NH+]1CCN(c2cccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)n2)CC1 ZINC000450235706 490453790 /nfs/dbraw/zinc/45/37/90/490453790.db2.gz YRDSVJUZBPQLLB-MRXNPFEDSA-N 2 0 361.490 0.410 10 0 FCAERP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000509982419 490482458 /nfs/dbraw/zinc/48/24/58/490482458.db2.gz MFLVTOCWDBVZBB-KRWDZBQOSA-N 2 0 368.522 0.500 10 0 FCAERP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000422879549 490491631 /nfs/dbraw/zinc/49/16/31/490491631.db2.gz MLDXBMQGROLLJP-WMZOPIPTSA-N 2 0 361.490 0.607 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCN(c3cccc(F)c3)C2)CC1 ZINC000564853407 491331468 /nfs/dbraw/zinc/33/14/68/491331468.db2.gz BXMXLEGWTAVFJT-PKOBYXMFSA-N 2 0 350.482 0.992 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)c1cccs1 ZINC000422955061 490505086 /nfs/dbraw/zinc/50/50/86/490505086.db2.gz KRBWPWZQZVGQIV-CYBMUJFWSA-N 2 0 350.488 0.822 10 0 FCAERP CC[NH+]1CC[C@H](CNC(=O)CSCC(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC000536016059 490546000 /nfs/dbraw/zinc/54/60/00/490546000.db2.gz AGMIHXWGPVAHJN-HZPDHXFCSA-N 2 0 370.563 0.636 10 0 FCAERP C[C@@H]1C[N@@H+](CCCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000571926597 491338186 /nfs/dbraw/zinc/33/81/86/491338186.db2.gz WWUPFVNZULYSPF-OWCLPIDISA-N 2 0 364.494 0.822 10 0 FCAERP CCOc1c(OC)cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1OC ZINC000571994733 491341453 /nfs/dbraw/zinc/34/14/53/491341453.db2.gz YAROZOPJFJAJRG-INIZCTEOSA-N 2 0 367.490 0.800 10 0 FCAERP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000502054019 490673334 /nfs/dbraw/zinc/67/33/34/490673334.db2.gz KLUVETOXSSOLQP-MSOLQXFVSA-N 2 0 352.523 0.583 10 0 FCAERP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000526977743 490689731 /nfs/dbraw/zinc/68/97/31/490689731.db2.gz ZFCCQEHGMMOPAE-HNNXBMFYSA-N 2 0 363.462 0.643 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000527374354 490720565 /nfs/dbraw/zinc/72/05/65/490720565.db2.gz KZZDZTMGIHROEW-UHFFFAOYSA-N 2 0 362.474 0.902 10 0 FCAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000529341159 490854772 /nfs/dbraw/zinc/85/47/72/490854772.db2.gz SXVYAMUKEHAZLA-WKILWMFISA-N 2 0 366.510 0.104 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000516659256 490873349 /nfs/dbraw/zinc/87/33/49/490873349.db2.gz AUCKANGGTWFHTK-IAGOWNOFSA-N 2 0 369.554 0.221 10 0 FCAERP CN(C(=O)C(=O)NCc1ccnc(N2CCCC2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000516959077 490887391 /nfs/dbraw/zinc/88/73/91/490887391.db2.gz OFBDHQFCQUMJNS-QGZVFWFLSA-N 2 0 371.485 0.993 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccncc2OCC(F)(F)F)CC1 ZINC000517130378 490895870 /nfs/dbraw/zinc/89/58/70/490895870.db2.gz WLQYWLCKVJVFOZ-CQSZACIVSA-N 2 0 362.396 0.721 10 0 FCAERP CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000517370530 490905975 /nfs/dbraw/zinc/90/59/75/490905975.db2.gz HXYQRCWNXGXWNZ-CABCVRRESA-N 2 0 352.479 0.304 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)C1 ZINC000518214530 490933333 /nfs/dbraw/zinc/93/33/33/490933333.db2.gz UHHKJONKSBEHIH-MRXNPFEDSA-N 2 0 350.507 0.731 10 0 FCAERP C[C@H](NC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)C1=CC[N@H+](C)CC1 ZINC000543967265 490953267 /nfs/dbraw/zinc/95/32/67/490953267.db2.gz OTLFQCCNBOAKLB-GOEBONIOSA-N 2 0 374.489 0.861 10 0 FCAERP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000557303458 491366569 /nfs/dbraw/zinc/36/65/69/491366569.db2.gz UMQFLFKQYQKUQM-UHFFFAOYSA-N 2 0 354.495 0.015 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)CC1 ZINC000569597299 491172508 /nfs/dbraw/zinc/17/25/08/491172508.db2.gz OXTJWYVDWMAARO-QZTJIDSGSA-N 2 0 355.523 0.142 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000569684456 491181232 /nfs/dbraw/zinc/18/12/32/491181232.db2.gz BOFRSHOIWMYKOJ-HNNXBMFYSA-N 2 0 370.563 0.588 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000557495510 491378359 /nfs/dbraw/zinc/37/83/59/491378359.db2.gz XRRBVJXKKGARIP-BZUAXINKSA-N 2 0 354.495 0.202 10 0 FCAERP COc1cccc(N2CCC[C@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2)c1 ZINC000566116649 491418227 /nfs/dbraw/zinc/41/82/27/491418227.db2.gz KAMKYBNXSAJDJD-PKOBYXMFSA-N 2 0 362.518 0.862 10 0 FCAERP CN1CCC(CNC(=O)COC2CC[NH2+]CC2)([NH+]2CCCCC2)CC1 ZINC000573203426 491418745 /nfs/dbraw/zinc/41/87/45/491418745.db2.gz FWFJVIIOOCVXPT-UHFFFAOYSA-N 2 0 352.523 0.822 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000566296346 491433273 /nfs/dbraw/zinc/43/32/73/491433273.db2.gz HPMNUTHICOVPNX-IRXDYDNUSA-N 2 0 362.474 0.372 10 0 FCAERP C[NH+]1CCN(c2cc(CNC(=O)N[C@H]3C[NH2+]CCC3(F)F)ccn2)CC1 ZINC000566609845 491455790 /nfs/dbraw/zinc/45/57/90/491455790.db2.gz YBFQVNXDSBNRNC-AWEZNQCLSA-N 2 0 368.432 0.630 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000566792295 491467241 /nfs/dbraw/zinc/46/72/41/491467241.db2.gz QAOHUCWDVCTEMD-WOJBJXKFSA-N 2 0 374.529 0.418 10 0 FCAERP CN(C(=O)C(=O)NCC1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574025430 491469402 /nfs/dbraw/zinc/46/94/02/491469402.db2.gz PLTIEUOUZHALDK-GOSISDBHSA-N 2 0 358.486 0.835 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](O)CC23CCC3)C1 ZINC000574509905 491501592 /nfs/dbraw/zinc/50/15/92/491501592.db2.gz PWEYDONHPWTDRF-SJORKVTESA-N 2 0 353.507 0.839 10 0 FCAERP COC(=O)CCN1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C[C@@H]1C ZINC000567589954 491515899 /nfs/dbraw/zinc/51/58/99/491515899.db2.gz KRLNBCPFSSVTMK-XWESNNAXSA-N 2 0 367.490 0.615 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000567708567 491524400 /nfs/dbraw/zinc/52/44/00/491524400.db2.gz RQBHYXTZZKBWQP-MSOLQXFVSA-N 2 0 361.490 0.491 10 0 FCAERP O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000567785689 491529645 /nfs/dbraw/zinc/52/96/45/491529645.db2.gz DYFUYCYBKAAQEZ-QGZVFWFLSA-N 2 0 369.473 0.992 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000560316558 491531020 /nfs/dbraw/zinc/53/10/20/491531020.db2.gz IYHJCQOAVPFGBF-KRWDZBQOSA-N 2 0 350.507 0.921 10 0 FCAERP Cc1nn(C)c(C)c1[C@@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000575233590 491546887 /nfs/dbraw/zinc/54/68/87/491546887.db2.gz OWSSNOUAWCKHKG-WCQYABFASA-N 2 0 362.400 0.925 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000660349157 493345908 /nfs/dbraw/zinc/34/59/08/493345908.db2.gz UTCFIZLPDDUELI-NVXWUHKLSA-N 2 0 359.474 0.671 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000560949206 491566556 /nfs/dbraw/zinc/56/65/56/491566556.db2.gz RCNONNZWLFPLAG-OAHLLOKOSA-N 2 0 360.458 0.498 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000568288097 491566982 /nfs/dbraw/zinc/56/69/82/491566982.db2.gz UUHBOUJDSCQVPA-IYBDPMFKSA-N 2 0 351.495 0.513 10 0 FCAERP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000561122804 491576236 /nfs/dbraw/zinc/57/62/36/491576236.db2.gz WUJUFJCMZQJHCZ-JKSUJKDBSA-N 2 0 354.495 0.062 10 0 FCAERP CC[NH+](CC)CCS(=O)(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000584379765 491584803 /nfs/dbraw/zinc/58/48/03/491584803.db2.gz SHWSVDGMTXYJDT-UHFFFAOYSA-N 2 0 362.540 0.144 10 0 FCAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000577396409 491618794 /nfs/dbraw/zinc/61/87/94/491618794.db2.gz RWXZZQQZNPSXPJ-KZNAEPCWSA-N 2 0 356.470 0.814 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000577510104 491628192 /nfs/dbraw/zinc/62/81/92/491628192.db2.gz WEVDHOQWXJOBTD-NZSAHSFTSA-N 2 0 372.513 0.876 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)CC1 ZINC000577621833 491636876 /nfs/dbraw/zinc/63/68/76/491636876.db2.gz HFJPWOLGHUFPAA-KRWDZBQOSA-N 2 0 363.502 0.933 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000561880951 491637947 /nfs/dbraw/zinc/63/79/47/491637947.db2.gz DCGZBWDOKCHHMW-GDBMZVCRSA-N 2 0 350.507 0.966 10 0 FCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000576763830 491642713 /nfs/dbraw/zinc/64/27/13/491642713.db2.gz YCPAAIXLUPNNCP-INIZCTEOSA-N 2 0 354.495 0.206 10 0 FCAERP COc1ccc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c(OC)c1OC ZINC000576863146 491651960 /nfs/dbraw/zinc/65/19/60/491651960.db2.gz HGHPIFHQGKAULG-INIZCTEOSA-N 2 0 367.490 0.453 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000578008733 491667933 /nfs/dbraw/zinc/66/79/33/491667933.db2.gz WSIFUZQCAXTWKX-UHFFFAOYSA-N 2 0 373.457 0.831 10 0 FCAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000578878088 491686262 /nfs/dbraw/zinc/68/62/62/491686262.db2.gz FVZMIHAFPZBFIV-OAGGEKHMSA-N 2 0 350.507 0.824 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000579239642 491693896 /nfs/dbraw/zinc/69/38/96/491693896.db2.gz HDGGGQTUYUXHLX-QYZOEREBSA-N 2 0 351.466 0.490 10 0 FCAERP CCOC(=O)c1sc([C@H](C)NC(=O)N2CCN(C)C[C@H]2C[NH3+])nc1C ZINC000579932258 491709613 /nfs/dbraw/zinc/70/96/13/491709613.db2.gz CCDUDXAJZDXPAL-NWDGAFQWSA-N 2 0 369.491 0.974 10 0 FCAERP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)CCOC3C[NH2+]C3)c2)C1 ZINC000580070381 491715957 /nfs/dbraw/zinc/71/59/57/491715957.db2.gz DVLFJXIUBFXIIM-QGZVFWFLSA-N 2 0 374.485 0.379 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000580294096 491724563 /nfs/dbraw/zinc/72/45/63/491724563.db2.gz UUHDVBWZLYFGRO-VSZNYVQBSA-N 2 0 356.470 0.901 10 0 FCAERP O=C(N[C@@H](CO)CN1CCOCC1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000580306600 491725194 /nfs/dbraw/zinc/72/51/94/491725194.db2.gz KMJMBMKLPYMFBC-ZWKOTPCHSA-N 2 0 362.474 0.103 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000580559912 491736221 /nfs/dbraw/zinc/73/62/21/491736221.db2.gz GGPVYKQOSMVQFV-UHFFFAOYSA-N 2 0 367.538 0.613 10 0 FCAERP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000580904030 491751209 /nfs/dbraw/zinc/75/12/09/491751209.db2.gz ZWYVKGPWERVBDM-AZUAARDMSA-N 2 0 363.502 0.832 10 0 FCAERP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581181284 491762516 /nfs/dbraw/zinc/76/25/16/491762516.db2.gz KCOBSYFUFCJPSO-RXVVDRJESA-N 2 0 370.497 0.979 10 0 FCAERP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581181282 491762646 /nfs/dbraw/zinc/76/26/46/491762646.db2.gz KCOBSYFUFCJPSO-NQIIRXRSSA-N 2 0 370.497 0.979 10 0 FCAERP CC(=O)Nc1cccc(OCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000581543755 491776977 /nfs/dbraw/zinc/77/69/77/491776977.db2.gz UFVRKKFMMMAHPZ-KRWDZBQOSA-N 2 0 350.463 0.222 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000581835477 491787028 /nfs/dbraw/zinc/78/70/28/491787028.db2.gz AZADKCGDIYYGNV-UHFFFAOYSA-N 2 0 367.538 0.960 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000581989063 491793022 /nfs/dbraw/zinc/79/30/22/491793022.db2.gz JSSRBCYCDABHSE-UHFFFAOYSA-N 2 0 364.494 0.068 10 0 FCAERP CSC1(CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)CC[NH+](C)CC1 ZINC000592000090 491827267 /nfs/dbraw/zinc/82/72/67/491827267.db2.gz QPMDZTDAZUMPSA-CQSZACIVSA-N 2 0 371.551 0.575 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000611637660 491864205 /nfs/dbraw/zinc/86/42/05/491864205.db2.gz LUIXVAJADWFJTF-HLLBOEOZSA-N 2 0 366.506 0.297 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1=CC[N@H+](C)CC1 ZINC000611758884 491873128 /nfs/dbraw/zinc/87/31/28/491873128.db2.gz MTNSVDNIYGRIKL-DOTOQJQBSA-N 2 0 366.506 0.322 10 0 FCAERP 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CC1(OCC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C[NH2+]C1 ZINC000649320971 492531887 /nfs/dbraw/zinc/53/18/87/492531887.db2.gz HEPMMJXXEUXJLF-KRWDZBQOSA-N 2 0 374.485 0.379 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656083931 492544429 /nfs/dbraw/zinc/54/44/29/492544429.db2.gz PKYSCQXKBHCHGE-WCXIOVBPSA-N 2 0 368.522 0.589 10 0 FCAERP C[NH+](C)CCN1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1=O ZINC000649685002 492571164 /nfs/dbraw/zinc/57/11/64/492571164.db2.gz KLSLBJIVCFWBGR-HXUWFJFHSA-N 2 0 374.529 0.983 10 0 FCAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656296281 492575489 /nfs/dbraw/zinc/57/54/89/492575489.db2.gz RNCLFMAHLNBJSC-LUKYLMHMSA-N 2 0 352.523 0.927 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@@H]2C2(O)CC2)C1 ZINC000656692043 492641972 /nfs/dbraw/zinc/64/19/72/492641972.db2.gz YNZHVOLTTKXSBX-DLBZAZTESA-N 2 0 353.507 0.839 10 0 FCAERP C[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+]1CCCC[C@H]1C ZINC000650642117 492657813 /nfs/dbraw/zinc/65/78/13/492657813.db2.gz UBBYWIQQFQLJMU-CVEARBPZSA-N 2 0 353.511 0.665 10 0 FCAERP C[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000650642504 492657979 /nfs/dbraw/zinc/65/79/79/492657979.db2.gz FDGFUOYRXRLGEF-CVEARBPZSA-N 2 0 353.511 0.522 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1=O ZINC000624544880 492658212 /nfs/dbraw/zinc/65/82/12/492658212.db2.gz HNJHNBQSFPQYHW-QGZVFWFLSA-N 2 0 365.522 0.809 10 0 FCAERP CC1CC[NH+](CCCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650656418 492658798 /nfs/dbraw/zinc/65/87/98/492658798.db2.gz IXNSDKIIXUUKCN-UHFFFAOYSA-N 2 0 367.538 0.914 10 0 FCAERP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629798710 492677654 /nfs/dbraw/zinc/67/76/54/492677654.db2.gz BSBGYXUTFSQILZ-KDURUIRLSA-N 2 0 350.507 0.779 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000629818062 492687844 /nfs/dbraw/zinc/68/78/44/492687844.db2.gz HTCGUSULZDXQCO-BEFAXECRSA-N 2 0 364.490 0.040 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000657071523 492709147 /nfs/dbraw/zinc/70/91/47/492709147.db2.gz ORDSOFZWZRCHGP-ZDUSSCGKSA-N 2 0 357.476 0.966 10 0 FCAERP O=C1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CN1CCN1CCOCC1 ZINC000657366064 492750273 /nfs/dbraw/zinc/75/02/73/492750273.db2.gz BTEBPSJXNGJDAL-INIZCTEOSA-N 2 0 370.457 0.290 10 0 FCAERP C[NH+](C)CCNC(=O)Cn1cc(NCc2ccnn2-c2cc[nH+]cc2)cn1 ZINC000657425080 492751467 /nfs/dbraw/zinc/75/14/67/492751467.db2.gz BZVIXWGPIQMXQJ-UHFFFAOYSA-N 2 0 368.445 0.754 10 0 FCAERP CCc1cc(N2CCC([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)CC2)ncn1 ZINC000644583546 492788788 /nfs/dbraw/zinc/78/87/88/492788788.db2.gz PXKIFMHBGVSGCZ-SFHVURJKSA-N 2 0 362.522 0.206 10 0 FCAERP C[NH+](C)CCn1cc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000631141757 492799766 /nfs/dbraw/zinc/79/97/66/492799766.db2.gz WUVWOQQBXUPPEG-SFHVURJKSA-N 2 0 362.522 0.687 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cncc2c1CCCC2 ZINC000657839263 492801116 /nfs/dbraw/zinc/80/11/16/492801116.db2.gz QGGXARLLDFAKNI-UHFFFAOYSA-N 2 0 361.490 0.851 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000658126552 492841574 /nfs/dbraw/zinc/84/15/74/492841574.db2.gz NBAXEDXKZBGJPA-ZDUSSCGKSA-N 2 0 350.467 0.372 10 0 FCAERP CCN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000658361737 492865532 /nfs/dbraw/zinc/86/55/32/492865532.db2.gz OPPISTBGMQTYOE-OAHLLOKOSA-N 2 0 362.478 0.641 10 0 FCAERP C[NH+](C)CCOc1cccc(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000631913721 492878845 /nfs/dbraw/zinc/87/88/45/492878845.db2.gz OBUFCMKYELJODU-INIZCTEOSA-N 2 0 357.476 0.035 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000631912381 492879010 /nfs/dbraw/zinc/87/90/10/492879010.db2.gz JLMOBHKVSQLMDO-SFHVURJKSA-N 2 0 367.515 0.601 10 0 FCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631914729 492880117 /nfs/dbraw/zinc/88/01/17/492880117.db2.gz WENOQXHXTVAOME-PVAVHDDUSA-N 2 0 353.488 0.730 10 0 FCAERP C[NH+](C)CCOc1ccccc1CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631917557 492882824 /nfs/dbraw/zinc/88/28/24/492882824.db2.gz RQLINEHDTMXGGS-OAHLLOKOSA-N 2 0 357.476 0.035 10 0 FCAERP CCO[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1C[NH3+] ZINC000652152206 492888103 /nfs/dbraw/zinc/88/81/03/492888103.db2.gz GYCCYERRSBZPAE-HLLBOEOZSA-N 2 0 353.511 0.160 10 0 FCAERP C[C@@H](CNS(=O)(=O)C[C@@H]1CN(C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000631939927 492893061 /nfs/dbraw/zinc/89/30/61/492893061.db2.gz LKGKHTSAUDDCBF-RDJZCZTQSA-N 2 0 355.504 0.757 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000631946686 492894633 /nfs/dbraw/zinc/89/46/33/492894633.db2.gz HJUJPQVKXNWJFI-SFHVURJKSA-N 2 0 366.531 0.512 10 0 FCAERP C[N@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631950869 492896958 /nfs/dbraw/zinc/89/69/58/492896958.db2.gz SMZMPKOSTRJIKJ-ROUUACIJSA-N 2 0 367.515 0.553 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658488086 492911401 /nfs/dbraw/zinc/91/14/01/492911401.db2.gz YWVKKYIZVXFJBE-DLBZAZTESA-N 2 0 368.522 0.356 10 0 FCAERP COCCCS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363075 492916293 /nfs/dbraw/zinc/91/62/93/492916293.db2.gz XHWRGAILEWEIMJ-BZUAXINKSA-N 2 0 363.524 0.303 10 0 FCAERP CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632104586 492930421 /nfs/dbraw/zinc/93/04/21/492930421.db2.gz JUFGBTRKJYOBNO-ZWKOTPCHSA-N 2 0 367.515 0.853 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C[NH3+] ZINC000652636729 492975792 /nfs/dbraw/zinc/97/57/92/492975792.db2.gz WWGCBGWTCOERII-IUODEOHRSA-N 2 0 358.402 0.028 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000652666908 492982341 /nfs/dbraw/zinc/98/23/41/492982341.db2.gz WZKFLNBSBOPVMS-KZNAEPCWSA-N 2 0 374.485 0.199 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652671086 492984180 /nfs/dbraw/zinc/98/41/80/492984180.db2.gz PUHRUXMUFBCEGY-IAGOWNOFSA-N 2 0 362.474 0.057 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC000658624382 492985128 /nfs/dbraw/zinc/98/51/28/492985128.db2.gz NBIRMVLUNBHUGG-ZACQAIPSSA-N 2 0 368.522 0.497 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C[C@H]1C[NH3+] ZINC000652694231 492992661 /nfs/dbraw/zinc/99/26/61/492992661.db2.gz RSFTYVNAIFWQQO-HUUCEWRRSA-N 2 0 354.495 0.189 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000652710935 492997678 /nfs/dbraw/zinc/99/76/78/492997678.db2.gz GKRZCXXZNXGDCX-UHFFFAOYSA-N 2 0 350.507 0.956 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C[C@H]1C[NH3+] ZINC000652728455 493006779 /nfs/dbraw/zinc/00/67/79/493006779.db2.gz LRAPSTHNLYRXIR-HUUCEWRRSA-N 2 0 354.495 0.141 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH3+] ZINC000652730071 493008260 /nfs/dbraw/zinc/00/82/60/493008260.db2.gz HLJZCJXFIAVMAQ-BZUAXINKSA-N 2 0 354.495 0.141 10 0 FCAERP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000646119999 493017242 /nfs/dbraw/zinc/01/72/42/493017242.db2.gz TWNINICORBQZBB-FQEVSTJZSA-N 2 0 371.529 0.948 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC000626883818 493050385 /nfs/dbraw/zinc/05/03/85/493050385.db2.gz JRRGBJNDOOGQLF-UHFFFAOYSA-N 2 0 364.446 0.190 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C[NH2+]1 ZINC000626894073 493054099 /nfs/dbraw/zinc/05/40/99/493054099.db2.gz VPBOUZQBVYEHAC-TZMCWYRMSA-N 2 0 366.437 0.961 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)Nc1ccn(-c3cc[nH+]cc3)n1)C2 ZINC000626901142 493057212 /nfs/dbraw/zinc/05/72/12/493057212.db2.gz NVVZYPHFRKZKAZ-HDICACEKSA-N 2 0 354.414 0.664 10 0 FCAERP CCN(C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658805369 493062980 /nfs/dbraw/zinc/06/29/80/493062980.db2.gz WXSAPIZGXCWSAZ-DLBZAZTESA-N 2 0 366.506 0.110 10 0 FCAERP CCN(C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658808167 493064431 /nfs/dbraw/zinc/06/44/31/493064431.db2.gz UULPDFRVRMEKFE-KRWDZBQOSA-N 2 0 350.507 0.873 10 0 FCAERP CC(C)[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+]1CCN(C)CC1 ZINC000626930140 493065825 /nfs/dbraw/zinc/06/58/25/493065825.db2.gz XMDSGCRCQXURIO-QRQLOZEOSA-N 2 0 351.539 0.899 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000626931973 493066478 /nfs/dbraw/zinc/06/64/78/493066478.db2.gz OTZRWPDCDYNCBH-UHFFFAOYSA-N 2 0 364.494 0.211 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000658826701 493073556 /nfs/dbraw/zinc/07/35/56/493073556.db2.gz RKODSVDHKVWIOB-SJORKVTESA-N 2 0 350.507 0.873 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC000626980945 493073536 /nfs/dbraw/zinc/07/35/36/493073536.db2.gz WUZZHKINBLIPIL-QRQLOZEOSA-N 2 0 365.522 0.034 10 0 FCAERP CN(CCOCC[NH3+])C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000626989565 493075985 /nfs/dbraw/zinc/07/59/85/493075985.db2.gz ZYCHVSBBYHUVOY-UHFFFAOYSA-N 2 0 355.527 0.553 10 0 FCAERP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653125060 493076252 /nfs/dbraw/zinc/07/62/52/493076252.db2.gz RMYODXDYXYVPQM-RXVVDRJESA-N 2 0 372.513 0.941 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000627002178 493078626 /nfs/dbraw/zinc/07/86/26/493078626.db2.gz OBANOYMLUAMAOU-DLBZAZTESA-N 2 0 356.511 0.632 10 0 FCAERP [NH3+]CCCOCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000627019859 493082003 /nfs/dbraw/zinc/08/20/03/493082003.db2.gz SPSBPRRWLXYMBQ-GOSISDBHSA-N 2 0 364.490 0.942 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[NH2+]1 ZINC000627035024 493083297 /nfs/dbraw/zinc/08/32/97/493083297.db2.gz SUADAJGRZUKVGM-FVPDABNVSA-N 2 0 351.495 0.510 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCCOCCC[NH3+])cc1 ZINC000627114849 493090084 /nfs/dbraw/zinc/09/00/84/493090084.db2.gz LLXCHLJJMIIYGP-IRXDYDNUSA-N 2 0 350.463 0.805 10 0 FCAERP O=C(CNC(=O)N[C@H]1CC[NH2+]C12CCC2)NCC[NH+]1CCCCCC1 ZINC000627127859 493092449 /nfs/dbraw/zinc/09/24/49/493092449.db2.gz XBWNULDQEVYDMP-HNNXBMFYSA-N 2 0 351.495 0.562 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627153195 493097402 /nfs/dbraw/zinc/09/74/02/493097402.db2.gz RPBMFBPNDDYLDX-MRXNPFEDSA-N 2 0 353.511 0.306 10 0 FCAERP Cc1cn2ccc(NC(=O)C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)cc2n1 ZINC000658902566 493107119 /nfs/dbraw/zinc/10/71/19/493107119.db2.gz BVDRBXPGTMFGNY-INIZCTEOSA-N 2 0 371.441 0.639 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627206703 493107374 /nfs/dbraw/zinc/10/73/74/493107374.db2.gz IAGPRDBEHCRISW-HZPDHXFCSA-N 2 0 356.511 0.896 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000633077884 493116929 /nfs/dbraw/zinc/11/69/29/493116929.db2.gz FTTVMIQCADUXHA-KBAYOESNSA-N 2 0 358.486 0.773 10 0 FCAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000633096747 493123481 /nfs/dbraw/zinc/12/34/81/493123481.db2.gz AMMAIUXWFZGXKQ-IRXDYDNUSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000633097850 493124183 /nfs/dbraw/zinc/12/41/83/493124183.db2.gz UVJAJTXEOYFCFA-KBAYOESNSA-N 2 0 358.486 0.773 10 0 FCAERP CC(CC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000646918152 493126660 /nfs/dbraw/zinc/12/66/60/493126660.db2.gz OEWLUHMIHQQTDF-BDXSIMOUSA-N 2 0 362.518 0.728 10 0 FCAERP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCCO1 ZINC000627296689 493139135 /nfs/dbraw/zinc/13/91/35/493139135.db2.gz PACXENOOVAYXDH-CABCVRRESA-N 2 0 352.479 0.004 10 0 FCAERP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659073219 493139600 /nfs/dbraw/zinc/13/96/00/493139600.db2.gz LZBBSSBVKZFKQV-MRXNPFEDSA-N 2 0 364.446 0.028 10 0 FCAERP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659072274 493139896 /nfs/dbraw/zinc/13/98/96/493139896.db2.gz DPEWELAPRXVGBQ-KRWDZBQOSA-N 2 0 360.458 0.840 10 0 FCAERP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)c1ccco1 ZINC000627302956 493142364 /nfs/dbraw/zinc/14/23/64/493142364.db2.gz BXWFEWGVYTWTNE-AWEZNQCLSA-N 2 0 366.462 0.403 10 0 FCAERP O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659081672 493144451 /nfs/dbraw/zinc/14/44/51/493144451.db2.gz XTTWBCHTYREOIO-QGZVFWFLSA-N 2 0 369.425 0.331 10 0 FCAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311575 493145898 /nfs/dbraw/zinc/14/58/98/493145898.db2.gz CALOIFNAUDXOPH-STEAMIEHSA-N 2 0 350.507 0.681 10 0 FCAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627311500 493145999 /nfs/dbraw/zinc/14/59/99/493145999.db2.gz ABOWCUPMFNWAPX-RBSFLKMASA-N 2 0 354.495 0.093 10 0 FCAERP CCCN(C(=O)C(=O)NC[C@@H]1CCC[NH+]1CCOC)[C@@H]1CC[N@H+](C)C1 ZINC000647025807 493148084 /nfs/dbraw/zinc/14/80/84/493148084.db2.gz SBCRLFMHRURQIE-JKSUJKDBSA-N 2 0 354.495 0.156 10 0 FCAERP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)c2)CC1 ZINC000659105510 493155145 /nfs/dbraw/zinc/15/51/45/493155145.db2.gz NVJCHESEOSIZPT-UHFFFAOYSA-N 2 0 371.485 0.241 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[NH2+]1 ZINC000627332485 493158030 /nfs/dbraw/zinc/15/80/30/493158030.db2.gz AZDGETKTEUVBMM-NZSAHSFTSA-N 2 0 372.513 0.924 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[NH2+]1 ZINC000627338842 493161391 /nfs/dbraw/zinc/16/13/91/493161391.db2.gz RWDOBZXJVSYSHJ-GOEBONIOSA-N 2 0 362.474 0.500 10 0 FCAERP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000627338921 493161642 /nfs/dbraw/zinc/16/16/42/493161642.db2.gz UJACHJAEGLGTAE-KRWDZBQOSA-N 2 0 374.485 0.644 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)Cc2ccccc2C1 ZINC000627354035 493171943 /nfs/dbraw/zinc/17/19/43/493171943.db2.gz QIFCWHMOMSSACP-QGZVFWFLSA-N 2 0 370.497 0.603 10 0 FCAERP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647170698 493174248 /nfs/dbraw/zinc/17/42/48/493174248.db2.gz KKSFNLHYJGCKFH-UHFFFAOYSA-N 2 0 358.483 0.589 10 0 FCAERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647179760 493174442 /nfs/dbraw/zinc/17/44/42/493174442.db2.gz NOYQHIHXTOKKJJ-UHFFFAOYSA-N 2 0 372.510 0.836 10 0 FCAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627357541 493174607 /nfs/dbraw/zinc/17/46/07/493174607.db2.gz IUOOBKXCRSBKEX-HUUCEWRRSA-N 2 0 354.495 0.095 10 0 FCAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627357655 493174706 /nfs/dbraw/zinc/17/47/06/493174706.db2.gz MFMUGSHWELXUBD-CPLUKWAASA-N 2 0 364.534 0.929 10 0 FCAERP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3F)C2)CC1 ZINC000647182822 493174879 /nfs/dbraw/zinc/17/48/79/493174879.db2.gz VQTCZEXXKRASHT-AWEZNQCLSA-N 2 0 370.494 0.731 10 0 FCAERP [NH3+]CCn1cc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nn1 ZINC000659279544 493181447 /nfs/dbraw/zinc/18/14/47/493181447.db2.gz BHVSKZUTZOTWHF-UHFFFAOYSA-N 2 0 371.445 0.315 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000659450914 493182398 /nfs/dbraw/zinc/18/23/98/493182398.db2.gz IAUDKCZENUGCHV-AWEZNQCLSA-N 2 0 353.511 0.759 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000659457506 493183544 /nfs/dbraw/zinc/18/35/44/493183544.db2.gz FXVUMTZNIFVHDJ-QGZVFWFLSA-N 2 0 365.522 0.761 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000627388100 493195901 /nfs/dbraw/zinc/19/59/01/493195901.db2.gz KUMPHUZLGVVMEF-WBVHZDCISA-N 2 0 362.474 0.247 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000627409728 493206416 /nfs/dbraw/zinc/20/64/16/493206416.db2.gz LTBJFNVVJHHDOF-MRXNPFEDSA-N 2 0 368.522 0.579 10 0 FCAERP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000627417605 493208808 /nfs/dbraw/zinc/20/88/08/493208808.db2.gz CBMJBJUTCFZGEN-INIZCTEOSA-N 2 0 368.522 0.724 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000627420277 493209896 /nfs/dbraw/zinc/20/98/96/493209896.db2.gz DAMDDNKEHXIQNP-CVEARBPZSA-N 2 0 366.506 0.333 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000627421737 493211103 /nfs/dbraw/zinc/21/11/03/493211103.db2.gz RMSXUXJERHXCRF-GJZGRUSLSA-N 2 0 354.495 0.332 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000627423873 493213028 /nfs/dbraw/zinc/21/30/28/493213028.db2.gz YMUUDOQNMZJQRH-UHFFFAOYSA-N 2 0 366.506 0.335 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000659626521 493222629 /nfs/dbraw/zinc/22/26/29/493222629.db2.gz KPSGOGUIBKFZRC-HNNXBMFYSA-N 2 0 353.511 0.747 10 0 FCAERP CCc1ccc([C@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[NH+](C)C)cc1 ZINC000659674062 493244725 /nfs/dbraw/zinc/24/47/25/493244725.db2.gz KJWUHSXLWYJSKE-CMVHYPBASA-N 2 0 358.486 0.836 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000659676891 493246063 /nfs/dbraw/zinc/24/60/63/493246063.db2.gz KTCULMKMFVYRFT-WMHQRMGPSA-N 2 0 354.470 0.653 10 0 FCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659682003 493248822 /nfs/dbraw/zinc/24/88/22/493248822.db2.gz DNIUVLKAPGPJJE-MVBZYYNJSA-N 2 0 356.470 0.806 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000659684875 493251598 /nfs/dbraw/zinc/25/15/98/493251598.db2.gz JCSIESLEAWBDGI-RBSFLKMASA-N 2 0 370.856 0.957 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000659689965 493255126 /nfs/dbraw/zinc/25/51/26/493255126.db2.gz LCCXRECDVXEKBC-UHFFFAOYSA-N 2 0 374.460 0.775 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000659691527 493256076 /nfs/dbraw/zinc/25/60/76/493256076.db2.gz YJYMFIHUPYYLHY-OHTSDLOESA-N 2 0 356.470 0.635 10 0 FCAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659698820 493260273 /nfs/dbraw/zinc/26/02/73/493260273.db2.gz NBDSHKCOINLMME-JYMZVQIXSA-N 2 0 350.507 0.729 10 0 FCAERP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)C1CC1 ZINC000659699924 493260289 /nfs/dbraw/zinc/26/02/89/493260289.db2.gz XPFISGUDIJLSKX-INIZCTEOSA-N 2 0 350.507 0.825 10 0 FCAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659698821 493260362 /nfs/dbraw/zinc/26/03/62/493260362.db2.gz NBDSHKCOINLMME-RXDZZFBJSA-N 2 0 350.507 0.729 10 0 FCAERP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659704319 493263058 /nfs/dbraw/zinc/26/30/58/493263058.db2.gz KBVURFWRVZHEPX-UHFFFAOYSA-N 2 0 357.458 0.282 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000659706021 493264119 /nfs/dbraw/zinc/26/41/19/493264119.db2.gz CSDQFSUORKWJHH-MWQQHZPXSA-N 2 0 362.449 0.663 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CCO1 ZINC000659709552 493266136 /nfs/dbraw/zinc/26/61/36/493266136.db2.gz KQOLRUYMGVAFHF-OAHLLOKOSA-N 2 0 354.495 0.333 10 0 FCAERP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659713567 493267713 /nfs/dbraw/zinc/26/77/13/493267713.db2.gz FYTHPEHZRGSHPD-MSOLQXFVSA-N 2 0 370.497 0.883 10 0 FCAERP O=C(NCC1CC[NH+](C2CCOCC2)CC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000659715778 493268582 /nfs/dbraw/zinc/26/85/82/493268582.db2.gz ZUINDSSWUQAOLY-MRXNPFEDSA-N 2 0 366.506 0.252 10 0 FCAERP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000641651544 493271059 /nfs/dbraw/zinc/27/10/59/493271059.db2.gz DDANUMMHXHNCHR-UONOGXRCSA-N 2 0 361.412 0.478 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659721470 493272086 /nfs/dbraw/zinc/27/20/86/493272086.db2.gz GPLBYOUGMFMWEE-MAUKXSAKSA-N 2 0 373.501 0.524 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659728161 493275181 /nfs/dbraw/zinc/27/51/81/493275181.db2.gz VMBFLVZVNBQWMU-BHYGNILZSA-N 2 0 350.507 0.681 10 0 FCAERP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659727709 493275391 /nfs/dbraw/zinc/27/53/91/493275391.db2.gz KPADOVDGMCQSLM-UONOGXRCSA-N 2 0 354.495 0.236 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000659742514 493282133 /nfs/dbraw/zinc/28/21/33/493282133.db2.gz SVFFHLWKLMXYLR-TZKKQGAMSA-N 2 0 368.481 0.445 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000659742678 493282180 /nfs/dbraw/zinc/28/21/80/493282180.db2.gz CUVAGXOARISTRL-ZRZPHAQCSA-N 2 0 362.518 0.969 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000659744796 493283173 /nfs/dbraw/zinc/28/31/73/493283173.db2.gz LIIKDHZSVGMIIS-SRWJYRBRSA-N 2 0 370.497 0.978 10 0 FCAERP CC1[C@H](C(=O)NCC2CC[NH+](C)CC2)[C@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000667831150 493303823 /nfs/dbraw/zinc/30/38/23/493303823.db2.gz NRSMXZWBITVKPN-ROUUACIJSA-N 2 0 364.534 0.785 10 0 FCAERP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668510993 493367788 /nfs/dbraw/zinc/36/77/88/493367788.db2.gz DINARJFLUJUAIQ-MRXNPFEDSA-N 2 0 367.538 0.119 10 0 FCAERP CN1CC[NH+](CCCCNC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000673867813 493369515 /nfs/dbraw/zinc/36/95/15/493369515.db2.gz RTHYAKISLCYNHL-UHFFFAOYSA-N 2 0 351.499 0.594 10 0 FCAERP CCN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@H+](CC)C1 ZINC000668526655 493370972 /nfs/dbraw/zinc/37/09/72/493370972.db2.gz LRVPOSKUMACLDX-RHSMWYFYSA-N 2 0 356.536 0.483 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCO1 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PFAIGRWHBCBWEN-INIZCTEOSA-N 2 0 368.522 0.593 10 0 FCAERP C(=C\C[N@@H+]1CC[C@H](Cn2ccnn2)C1)\C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143370 493411831 /nfs/dbraw/zinc/41/18/31/493411831.db2.gz UBGRGVBBHJIHJJ-QHNPVBQMSA-N 2 0 356.478 0.770 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668795281 493412306 /nfs/dbraw/zinc/41/23/06/493412306.db2.gz YDXMIVZUMQBFTE-SJORKVTESA-N 2 0 366.506 0.035 10 0 FCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668795054 493412562 /nfs/dbraw/zinc/41/25/62/493412562.db2.gz VEBGRMJZKLPDLY-IRXDYDNUSA-N 2 0 368.522 0.546 10 0 FCAERP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000661222424 493419548 /nfs/dbraw/zinc/41/95/48/493419548.db2.gz VTQWHKJFQQLCGG-ZTFGCOKTSA-N 2 0 353.507 0.885 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC000668892706 493430123 /nfs/dbraw/zinc/43/01/23/493430123.db2.gz JILMXKIYBAFRLP-OWCLPIDISA-N 2 0 354.495 0.155 10 0 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c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](CCCN2CCOCC2)C1 ZINC000662338456 493507711 /nfs/dbraw/zinc/50/77/11/493507711.db2.gz RSGKONGBGLOJKL-KRWDZBQOSA-N 2 0 362.522 0.721 10 0 FCAERP CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000669569650 493511623 /nfs/dbraw/zinc/51/16/23/493511623.db2.gz DPJGQIRBDQPQNO-JKSUJKDBSA-N 2 0 363.437 0.211 10 0 FCAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000676089699 493522731 /nfs/dbraw/zinc/52/27/31/493522731.db2.gz MQCJDWZCBXABEC-XJKSGUPXSA-N 2 0 354.414 0.949 10 0 FCAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000676093104 493523355 /nfs/dbraw/zinc/52/33/55/493523355.db2.gz FDGKYLOSPJSWSW-INIZCTEOSA-N 2 0 354.414 0.903 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676093329 493523689 /nfs/dbraw/zinc/52/36/89/493523689.db2.gz UZZMKMWCGCWYTM-CQSZACIVSA-N 2 0 350.467 0.230 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(c3c[nH]cn3)CC2)cn1 ZINC000676099513 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DMIYPWGUWBJXJX-HZMVEIRTSA-N 2 0 350.507 0.918 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000664129892 493638324 /nfs/dbraw/zinc/63/83/24/493638324.db2.gz KKBNUSDPLYVQGW-KRWDZBQOSA-N 2 0 368.570 0.338 10 0 FCAERP C[C@H](CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000664223102 493646035 /nfs/dbraw/zinc/64/60/35/493646035.db2.gz XYZPMKPPTOVMOW-QZTJIDSGSA-N 2 0 369.554 0.622 10 0 FCAERP C[NH+](C)[C@@]1(CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCSC1 ZINC000664310508 493651811 /nfs/dbraw/zinc/65/18/11/493651811.db2.gz HXCJJYDXQXLQIL-DOTOQJQBSA-N 2 0 356.536 0.664 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCSC1 ZINC000664310510 493651942 /nfs/dbraw/zinc/65/19/42/493651942.db2.gz HXCJJYDXQXLQIL-RDJZCZTQSA-N 2 0 356.536 0.664 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000671376797 493662221 /nfs/dbraw/zinc/66/22/21/493662221.db2.gz DTEYMNPIGHIUPC-UHFFFAOYSA-N 2 0 373.501 0.968 10 0 FCAERP 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/nfs/dbraw/zinc/33/63/62/674336362.db2.gz FZTNOYUJNQIGDG-BDXSIMOUSA-N 2 0 351.491 0.951 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C(C)(C)CN2CCOCC2)C1 ZINC000412003507 528011995 /nfs/dbraw/zinc/01/19/95/528011995.db2.gz PWLXQPZBVJHCQX-KRWDZBQOSA-N 2 0 370.538 0.160 10 0 FCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000423360386 535865948 /nfs/dbraw/zinc/86/59/48/535865948.db2.gz FJTVTOATCLIBHN-IBGZPJMESA-N 2 0 362.474 0.772 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419904683 536355505 /nfs/dbraw/zinc/35/55/05/536355505.db2.gz XWDODXYIYYQQNC-IXDOHACOSA-N 2 0 365.522 0.001 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000419752990 536746817 /nfs/dbraw/zinc/74/68/17/536746817.db2.gz NAMOYLHAHUUSEA-UKRRQHHQSA-N 2 0 354.495 0.106 10 0 FCAERP COC(=O)CCN1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)[C@H](C)C1 ZINC000592953521 546679820 /nfs/dbraw/zinc/67/98/20/546679820.db2.gz 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C[NH+](C)CCCOc1cnccc1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908234839 666196342 /nfs/dbraw/zinc/19/63/42/666196342.db2.gz BQJOOYOFYFWTTC-CRAIPNDOSA-N 2 0 350.463 0.483 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)C[NH+](C)C ZINC000929780865 666680352 /nfs/dbraw/zinc/68/03/52/666680352.db2.gz HRFCYWYLZWUVMK-CVEARBPZSA-N 2 0 356.511 0.306 10 0 FCAERP CCO[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C[NH+](C)C ZINC000918906413 667140234 /nfs/dbraw/zinc/14/02/34/667140234.db2.gz OBZKDYWOCYSDPW-WBVHZDCISA-N 2 0 355.527 0.421 10 0 FCAERP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000921668731 667216035 /nfs/dbraw/zinc/21/60/35/667216035.db2.gz WLWGIVZCCAAQJD-SJORKVTESA-N 2 0 369.579 0.891 10 0 FCAERP C[NH2+]CC1CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000923285203 667822180 /nfs/dbraw/zinc/82/21/80/667822180.db2.gz AMWUIOOJFYIYIM-OAHLLOKOSA-N 2 0 361.552 0.919 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](O)COc1ccccc1F)C2 ZINC000923428543 667833587 /nfs/dbraw/zinc/83/35/87/667833587.db2.gz IWNPDEXJCNPEGL-AHXJXLJNSA-N 2 0 352.406 0.778 10 0 FCAERP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)S(C)(=O)=O ZINC000923498899 667841669 /nfs/dbraw/zinc/84/16/69/667841669.db2.gz QRKKSHGTQBBOIA-CABCVRRESA-N 2 0 362.540 0.079 10 0 FCAERP C[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC[C@@H]1C[NH3+] ZINC000923501633 667842247 /nfs/dbraw/zinc/84/22/47/667842247.db2.gz UTWHUUAJTUFMLY-VXGBXAGGSA-N 2 0 354.401 0.936 10 0 FCAERP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H]1C[NH3+] ZINC000923507856 667842269 /nfs/dbraw/zinc/84/22/69/667842269.db2.gz KVTFJXKGMIRLJQ-ZIAGYGMSSA-N 2 0 368.503 0.792 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000819071808 668976445 /nfs/dbraw/zinc/97/64/45/668976445.db2.gz ALPARJIKRUTVNI-CVEARBPZSA-N 2 0 356.511 0.584 10 0 FCAERP Cc1cc(NC[C@H](O)C[NH+]2CCN(C)CC2)ccc1OCC[NH+](C)C ZINC000819491594 669006601 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ZINC000856597127 1209716780 /nfs/dbraw/zinc/71/67/80/1209716780.db2.gz DUGGCWZOZZKCTG-INIZCTEOSA-N 2 0 363.462 0.831 10 0 FCAERP O=C1OC[C@@H]2C[N@H+](Cc3cncc(C[NH+]4C[C@@H]5COC(=O)[C@@H]5C4)c3)C[C@H]12 ZINC000860168367 1209842017 /nfs/dbraw/zinc/84/20/17/1209842017.db2.gz UUMTZSWZEVUXHA-WNKDZCFJSA-N 2 0 357.410 0.291 10 0 FCAERP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000861509647 1209868949 /nfs/dbraw/zinc/86/89/49/1209868949.db2.gz GTOKORSHUJIBQY-QGZVFWFLSA-N 2 0 371.485 0.778 10 0 FCAERP C[C@@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[NH+]1CCCCC1 ZINC000861564120 1209871280 /nfs/dbraw/zinc/87/12/80/1209871280.db2.gz HNQRHJPKXZUYKQ-INIZCTEOSA-N 2 0 366.510 0.213 10 0 FCAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861581497 1209872096 /nfs/dbraw/zinc/87/20/96/1209872096.db2.gz OPBSXHJRARKHJW-WQVCFCJDSA-N 2 0 363.462 0.190 10 0 FCAERP O=C(NCCC[C@H]1CCC[NH2+]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861647018 1209873096 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QPXSVECVAMGNSR-ZWKOTPCHSA-N 2 0 371.489 0.554 10 0 FCAERP CC(=O)N(C(=O)C(=O)N(C)CC[N@H+](C)C1CC1)c1cccc2c1C[NH2+]CC2 ZINC001332074825 1266329894 /nfs/dbraw/zinc/32/98/94/1266329894.db2.gz LVILZPKGSDNPCL-UHFFFAOYSA-N 2 0 372.469 0.764 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N(C(C)=O)c2cccc3c2C[NH2+]CC3)CC1 ZINC001332137953 1266342924 /nfs/dbraw/zinc/34/29/24/1266342924.db2.gz QUMAOHRSCZDRKV-UHFFFAOYSA-N 2 0 358.442 0.422 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1cccc2c1C[NH2+]CC2 ZINC001332138664 1266343409 /nfs/dbraw/zinc/34/34/09/1266343409.db2.gz VIFLMQJKNMUUSK-UHFFFAOYSA-N 2 0 358.442 0.422 10 0 FCAERP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC(c3c[nH]cn3)CC2)C[C@H]1C(F)(F)F ZINC001332232051 1266362791 /nfs/dbraw/zinc/36/27/91/1266362791.db2.gz NMEXPUKKELLFHN-NWDGAFQWSA-N 2 0 373.379 0.711 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](CO)CNC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1C ZINC001281117009 1261093770 /nfs/dbraw/zinc/09/37/70/1261093770.db2.gz WETBPXJNUVFCBJ-OWCLPIDISA-N 2 0 370.538 0.288 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001281896507 1261266204 /nfs/dbraw/zinc/26/62/04/1261266204.db2.gz SRYXEDOTSZNGCU-SJORKVTESA-N 2 0 362.474 0.001 10 0 FCAERP C[NH+](C)CCCC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001282300555 1261408222 /nfs/dbraw/zinc/40/82/22/1261408222.db2.gz VARGJVPSIKILSA-SJORKVTESA-N 2 0 362.518 0.731 10 0 FCAERP CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCn3cncc3C2)[C@@H]1C ZINC001282389276 1261441838 /nfs/dbraw/zinc/44/18/38/1261441838.db2.gz KPZHMHAYPOPMCP-VYDXJSESSA-N 2 0 361.490 0.893 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)c1cccc2c1C[NH2+]CC2 ZINC001332462688 1266410231 /nfs/dbraw/zinc/41/02/31/1266410231.db2.gz RHILGGZQSSKONH-INIZCTEOSA-N 2 0 358.442 0.408 10 0 FCAERP CCN1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[N@H+](C)CC)C3)C1 ZINC001282685763 1261582709 /nfs/dbraw/zinc/58/27/09/1261582709.db2.gz FROZFEYKOSLWTE-QZWWFDLISA-N 2 0 366.506 0.297 10 0 FCAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001345368897 1261687320 /nfs/dbraw/zinc/68/73/20/1261687320.db2.gz UWCAEALAKXVEHV-BBWFWOEESA-N 2 0 366.506 0.156 10 0 FCAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)[C@@H]1C ZINC001345407855 1261697521 /nfs/dbraw/zinc/69/75/21/1261697521.db2.gz CBEYAQQDHAKSEK-IKGGRYGDSA-N 2 0 368.522 0.545 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001289097034 1262103874 /nfs/dbraw/zinc/10/38/74/1262103874.db2.gz AQKUPOVOVBBZKI-NUJGCVRESA-N 2 0 368.522 0.137 10 0 FCAERP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2O)CCC1 ZINC001289099849 1262106194 /nfs/dbraw/zinc/10/61/94/1262106194.db2.gz WJMUBPNBTBXFEC-ARFHVFGLSA-N 2 0 366.506 0.033 10 0 FCAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCN3CCCC3=O)C2)C1 ZINC001479493602 1263221645 /nfs/dbraw/zinc/22/16/45/1263221645.db2.gz KQTOHBUNXGWNFR-YESZJQIVSA-N 2 0 350.507 0.825 10 0 FCAERP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001479495858 1263223304 /nfs/dbraw/zinc/22/33/04/1263223304.db2.gz RLXLDOQNRSFDIZ-IXDOHACOSA-N 2 0 363.506 0.763 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001479531166 1263239162 /nfs/dbraw/zinc/23/91/62/1263239162.db2.gz VCXYVBYIUYIYOM-BRWVUGGUSA-N 2 0 366.506 0.060 10 0 FCAERP C[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C[NH2+]CCCO)C1 ZINC001479578558 1263261756 /nfs/dbraw/zinc/26/17/56/1263261756.db2.gz DPUDKFUXXMIXPK-WBVHZDCISA-N 2 0 351.495 0.657 10 0 FCAERP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001479580129 1263263518 /nfs/dbraw/zinc/26/35/18/1263263518.db2.gz OANNZQJXUXSBLT-OAGGEKHMSA-N 2 0 368.522 0.448 10 0 FCAERP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O)[NH+](C)C ZINC001479581347 1263265696 /nfs/dbraw/zinc/26/56/96/1263265696.db2.gz TZERVJMDNXPSQT-PMPSAXMXSA-N 2 0 366.506 0.692 10 0 FCAERP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1)C(=O)NC1CC1 ZINC001479589410 1263266452 /nfs/dbraw/zinc/26/64/52/1263266452.db2.gz ACAMXCSEMVLMBA-INMHGKMJSA-N 2 0 350.507 0.966 10 0 FCAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001316651010 1263398144 /nfs/dbraw/zinc/39/81/44/1263398144.db2.gz CKOGUYVAXRZANC-UAGQMJEPSA-N 2 0 366.506 0.250 10 0 FCAERP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1)C(=O)Nc1ncccn1 ZINC001316659186 1263403582 /nfs/dbraw/zinc/40/35/82/1263403582.db2.gz DXXGDGXFFYVHPO-SOUVJXGZSA-N 2 0 362.478 0.630 10 0 FCAERP CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001316660807 1263404007 /nfs/dbraw/zinc/40/40/07/1263404007.db2.gz RGYOPUAWPTYTGY-LZLYRXPVSA-N 2 0 368.522 0.306 10 0 FCAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)C1 ZINC001316666762 1263408377 /nfs/dbraw/zinc/40/83/77/1263408377.db2.gz LVPITWJDIMVYLY-ZMSDIMECSA-N 2 0 366.506 0.108 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001480078376 1263422571 /nfs/dbraw/zinc/42/25/71/1263422571.db2.gz SWZVJVMMWQNZFB-IXDOHACOSA-N 2 0 365.522 0.522 10 0 FCAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NCc1cccs1 ZINC001480463134 1263429269 /nfs/dbraw/zinc/42/92/69/1263429269.db2.gz QWURZADJJKXUPN-UMVBOHGHSA-N 2 0 352.504 0.799 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC001483466440 1263444248 /nfs/dbraw/zinc/44/42/48/1263444248.db2.gz KRJIKLYVHSFPNO-ARFHVFGLSA-N 2 0 354.495 0.012 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C2CCCC2)CC[N@@H+]1C ZINC001484000150 1263451456 /nfs/dbraw/zinc/45/14/56/1263451456.db2.gz CCJQNKXBYHKYFY-RRFJBIMHSA-N 2 0 367.494 0.176 10 0 FCAERP CCc1onc(C)c1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001484483406 1263476748 /nfs/dbraw/zinc/47/67/48/1263476748.db2.gz MPFBWJLVLPPRFN-HUUCEWRRSA-N 2 0 352.479 0.796 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]CC(=O)N(C)C)CCOCC2)CC[N@@H+]1C ZINC001484864082 1263490317 /nfs/dbraw/zinc/49/03/17/1263490317.db2.gz NIFJIUDUXDMMRH-LSDHHAIUSA-N 2 0 354.495 0.060 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CC(=O)NC(=O)NC)CC2)CC[N@@H+]1C ZINC001317218075 1263504347 /nfs/dbraw/zinc/50/43/47/1263504347.db2.gz OEECUIVVUFNOQC-PFSRBDOWSA-N 2 0 367.494 0.189 10 0 FCAERP Cc1cc(NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001485877186 1263518582 /nfs/dbraw/zinc/51/85/82/1263518582.db2.gz LNHNYGMNUCTUHA-MRVWCRGKSA-N 2 0 351.451 0.698 10 0 FCAERP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1cnnn1C ZINC001491585838 1263612872 /nfs/dbraw/zinc/61/28/72/1263612872.db2.gz TWSSUDYWFMNGMD-QGTPRVQTSA-N 2 0 356.474 0.755 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CCCCC3)C2)CC[N@@H+]1C ZINC001491726268 1263616926 /nfs/dbraw/zinc/61/69/26/1263616926.db2.gz PVSWTLBLUSSTMA-HYVNUMGLSA-N 2 0 350.507 0.966 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001492256358 1263645904 /nfs/dbraw/zinc/64/59/04/1263645904.db2.gz AYHFRRFVGIVSFE-OWCLPIDISA-N 2 0 359.536 0.590 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001492809604 1263673051 /nfs/dbraw/zinc/67/30/51/1263673051.db2.gz LEYFPLMUZAINHE-NVXWUHKLSA-N 2 0 368.522 0.402 10 0 FCAERP C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001492850366 1263676980 /nfs/dbraw/zinc/67/69/80/1263676980.db2.gz SYRZPHWHMAQMND-ARFHVFGLSA-N 2 0 361.490 0.973 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)CC[N@@H+]1C ZINC001493552026 1263727037 /nfs/dbraw/zinc/72/70/37/1263727037.db2.gz WNFLAZBLZXKNDO-DJIMGWMZSA-N 2 0 366.506 0.012 10 0 FCAERP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001494773196 1263784964 /nfs/dbraw/zinc/78/49/64/1263784964.db2.gz GVKWDDAZJSRKNF-MKXGPGLRSA-N 2 0 361.486 0.530 10 0 FCAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC(=O)NCC(F)(F)F ZINC001494983980 1263793859 /nfs/dbraw/zinc/79/38/59/1263793859.db2.gz ZSKCMYYINGWWTC-FRRDWIJNSA-N 2 0 366.428 0.880 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]CCCS(C)(=O)=O)C2CC2)CC[N@@H+]1C ZINC001495249939 1263807186 /nfs/dbraw/zinc/80/71/86/1263807186.db2.gz RBNRDKZESNDTIP-UNEWFSDZSA-N 2 0 359.536 0.636 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+]CCS(C)(=O)=O)cc2)CC[N@@H+]1C ZINC001495489971 1263823629 /nfs/dbraw/zinc/82/36/29/1263823629.db2.gz UXNVTWOMHXNOSK-RHSMWYFYSA-N 2 0 367.515 0.777 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001497196347 1263919796 /nfs/dbraw/zinc/91/97/96/1263919796.db2.gz WCIXPTSXJRDHBJ-SOUVJXGZSA-N 2 0 362.478 0.630 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]C[C@H]2CCCS(=O)(=O)C2)CC[N@@H+]1C ZINC001497585937 1263941468 /nfs/dbraw/zinc/94/14/68/1263941468.db2.gz OLMGTBDUZJIURJ-ZZFUDSBHSA-N 2 0 357.520 0.413 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)CC[C@@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC001498599262 1263979294 /nfs/dbraw/zinc/97/92/94/1263979294.db2.gz UTBJYASDSNXCIS-HYVNUMGLSA-N 2 0 350.507 0.776 10 0 FCAERP CCN(C(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1)C1CC1 ZINC001498757350 1263986693 /nfs/dbraw/zinc/98/66/93/1263986693.db2.gz AGFZOVKRWVHTLJ-XYPHTWIQSA-N 2 0 350.507 0.822 10 0 FCAERP Cc1cc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)on1 ZINC001501257918 1264114727 /nfs/dbraw/zinc/11/47/27/1264114727.db2.gz JUHQZMIWXLCJJO-CRAIPNDOSA-N 2 0 363.506 0.993 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001322051704 1264138149 /nfs/dbraw/zinc/13/81/49/1264138149.db2.gz CCHJSWYCCZBLEH-WBVHZDCISA-N 2 0 367.538 0.070 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001322414139 1264191790 /nfs/dbraw/zinc/19/17/90/1264191790.db2.gz BCGGOUZJRHZEAV-RDJZCZTQSA-N 2 0 368.522 0.545 10 0 FCAERP 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C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCN2CCNC2=O)CC[N@@H+]1C ZINC001663067327 1291744080 /nfs/dbraw/zinc/74/40/80/1291744080.db2.gz SJSHAYNZODCESR-BRWVUGGUSA-N 2 0 365.522 0.713 10 0 FCAERP C[C@@H](CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668066802 1291954630 /nfs/dbraw/zinc/95/46/30/1291954630.db2.gz YVKYQJZETWDIFO-BFHYXJOUSA-N 2 0 367.494 0.141 10 0 FCAERP Cc1nocc1C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001673670426 1292118861 /nfs/dbraw/zinc/11/88/61/1292118861.db2.gz ATSPOCYGFCDGCB-QGPMSJSTSA-N 2 0 350.463 0.766 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CC(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001677357167 1292232892 /nfs/dbraw/zinc/23/28/92/1292232892.db2.gz DVCRSVFHHUHQKQ-AEGPPILISA-N 2 0 367.494 0.128 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCC3(C2)OCCO3)C[C@H]1C[NH+](C)C ZINC001679547927 1292306593 /nfs/dbraw/zinc/30/65/93/1292306593.db2.gz RRSXPNFENGFZGP-OAGGEKHMSA-N 2 0 354.495 0.663 10 0 FCAERP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1C[N@H+](C)CCN1C ZINC001684804460 1292338310 /nfs/dbraw/zinc/33/83/10/1292338310.db2.gz AGDMBGYJOITJQX-QZTJIDSGSA-N 3 0 370.586 0.536 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001685278421 1292479874 /nfs/dbraw/zinc/47/98/74/1292479874.db2.gz HLZHTKOXMQMALK-OLMNPRSZSA-N 2 0 362.518 0.918 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)COCC[NH+](C)C ZINC001685317958 1292497233 /nfs/dbraw/zinc/49/72/33/1292497233.db2.gz PLWKZUZNEXIXLP-CVEARBPZSA-N 2 0 366.506 0.299 10 0 FCAERP C[NH+](C)CC1(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@]3(C)C2)CC1 ZINC001685536114 1292550110 /nfs/dbraw/zinc/55/01/10/1292550110.db2.gz OBVCSSYXXTYRCA-JTDSTZFVSA-N 2 0 362.518 0.587 10 0 FCAERP C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)C1 ZINC001686083809 1292760795 /nfs/dbraw/zinc/76/07/95/1292760795.db2.gz NYOCWADMHAHQEC-YVSFHVDLSA-N 2 0 362.518 0.918 10 0 FCAERP 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C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C2CC2)C[C@H]1C[NH+](C)C ZINC001118940394 847643603 /nfs/dbraw/zinc/64/36/03/847643603.db2.gz MWDZDMPTSQTCMB-BRWVUGGUSA-N 2 0 350.507 0.585 10 0 FCAERP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001123601371 848611345 /nfs/dbraw/zinc/61/13/45/848611345.db2.gz WALFKJCXDUFGKD-LISAXSMJSA-N 2 0 354.495 0.384 10 0 FCAERP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001123601372 848611384 /nfs/dbraw/zinc/61/13/84/848611384.db2.gz WALFKJCXDUFGKD-NBOOPKSLSA-N 2 0 354.495 0.384 10 0 FCAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001123650765 848619781 /nfs/dbraw/zinc/61/97/81/848619781.db2.gz DIHUYXQQHATSNW-SOLBZPMBSA-N 2 0 356.511 0.632 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCOCCO)CC3)CC[N@@H+]1C ZINC001278453813 862332254 /nfs/dbraw/zinc/33/22/54/862332254.db2.gz YRYDLNBKHHDISX-DODZYUBVSA-N 2 0 353.507 0.839 10 0 FCAERP [NH3+]CCCCn1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)nn1 ZINC001261527834 858580724 /nfs/dbraw/zinc/58/07/24/858580724.db2.gz FBQJLWQVBYBPTN-BMFZPTHFSA-N 2 0 350.467 0.518 10 0 FCAERP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC001261645208 858619085 /nfs/dbraw/zinc/61/90/85/858619085.db2.gz YOYXBNQXYCTVOU-DOTOQJQBSA-N 2 0 350.507 0.635 10 0 FCAERP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCC(F)CC1 ZINC001261728792 858649455 /nfs/dbraw/zinc/64/94/55/858649455.db2.gz DTUONNRNCFRMDC-QQFBHYJXSA-N 2 0 358.502 0.971 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)C[C@H]1C[NH+](C)C ZINC001263782258 859211937 /nfs/dbraw/zinc/21/19/37/859211937.db2.gz BSFFWRCCWDHZKG-YYWYGQEZSA-N 3 0 351.539 0.707 10 0 FCAERP CCO[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001263973707 859263389 /nfs/dbraw/zinc/26/33/89/859263389.db2.gz DCSOKKSDRFCANO-OWCLPIDISA-N 2 0 354.495 0.060 10 0 FCAERP 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C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000429016210 489670178 /nfs/dbraw/zinc/67/01/78/489670178.db2.gz BECAEBSFUOYQAW-KRWDZBQOSA-N 2 0 366.487 0.690 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2Cc3cccc(O)c3C2)C1 ZINC000429316419 489681670 /nfs/dbraw/zinc/68/16/70/489681670.db2.gz LNQPNGYEXWKEMA-DLBZAZTESA-N 2 0 361.486 0.922 10 0 FCAERP C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458589330 489689856 /nfs/dbraw/zinc/68/98/56/489689856.db2.gz KNTPUEQZBROLIB-KRWDZBQOSA-N 3 0 355.527 0.158 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000418555761 489706895 /nfs/dbraw/zinc/70/68/95/489706895.db2.gz DUFYRIQJCDTQQI-RDJZCZTQSA-N 2 0 356.511 0.753 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418672671 489717336 /nfs/dbraw/zinc/71/73/36/489717336.db2.gz MYGSWZDXQGAHRS-UHFFFAOYSA-N 2 0 355.527 0.422 10 0 FCAERP C[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418876537 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0 FCAERP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000420165394 489937555 /nfs/dbraw/zinc/93/75/55/489937555.db2.gz GYPLBRCKEJLISI-MRXNPFEDSA-N 2 0 367.538 0.167 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000477730646 489987896 /nfs/dbraw/zinc/98/78/96/489987896.db2.gz XRSLNDQIIJLERQ-HNNXBMFYSA-N 2 0 350.507 0.991 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](CCO)CC2)C1 ZINC000421043992 490045396 /nfs/dbraw/zinc/04/53/96/490045396.db2.gz RXIAMMSGRSCQFB-ROUUACIJSA-N 2 0 355.523 0.944 10 0 FCAERP [NH3+]C[C@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000479065641 490065223 /nfs/dbraw/zinc/06/52/23/490065223.db2.gz RRSZHAXRMYKOQC-RDJZCZTQSA-N 2 0 362.449 0.538 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CCSC1 ZINC000421726728 490102448 /nfs/dbraw/zinc/10/24/48/490102448.db2.gz RMJRVCVBGBRQRE-KRWDZBQOSA-N 2 0 361.471 0.504 10 0 FCAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000382779072 490128541 /nfs/dbraw/zinc/12/85/41/490128541.db2.gz QUMQYNDWMQYMRS-QZTJIDSGSA-N 2 0 367.515 0.759 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390779901 490137671 /nfs/dbraw/zinc/13/76/71/490137671.db2.gz QEZCSIZWWUBXGO-IAGOWNOFSA-N 2 0 353.488 0.559 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000564358031 491303290 /nfs/dbraw/zinc/30/32/90/491303290.db2.gz OVWMKGAQHGJXMD-INIZCTEOSA-N 2 0 350.507 0.920 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1 ZINC000422300443 490240881 /nfs/dbraw/zinc/24/08/81/490240881.db2.gz UBDWJQOERRMBRN-JKSUJKDBSA-N 2 0 354.495 0.155 10 0 FCAERP CC[NH+](CC)CCOCCNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000507848413 490270803 /nfs/dbraw/zinc/27/08/03/490270803.db2.gz AEUPOBDCTXUCRZ-ALOPSCKCSA-N 2 0 368.522 0.593 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000571571729 491316365 /nfs/dbraw/zinc/31/63/65/491316365.db2.gz DMQWFZGHKCKCJO-SFHVURJKSA-N 2 0 369.554 0.668 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000448524094 490360792 /nfs/dbraw/zinc/36/07/92/490360792.db2.gz DTMHIDIODVZYCB-BBWFWOEESA-N 2 0 367.538 0.946 10 0 FCAERP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000564716290 491321775 /nfs/dbraw/zinc/32/17/75/491321775.db2.gz DRLQWMIALYUACF-AQFXKWCLSA-N 2 0 353.511 0.223 10 0 FCAERP COc1cc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nn1C ZINC000548167130 490432175 /nfs/dbraw/zinc/43/21/75/490432175.db2.gz WPGNDQROPYCARW-YIONKMFJSA-N 2 0 362.478 1.203 10 0 FCAERP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000411400252 490449464 /nfs/dbraw/zinc/44/94/64/490449464.db2.gz TUJYRQQBQPXHGY-QGZVFWFLSA-N 2 0 350.507 0.969 10 0 FCAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000422832277 490482984 /nfs/dbraw/zinc/48/29/84/490482984.db2.gz FMMKIAKPYRBJAD-IEBWSBKVSA-N 2 0 366.550 0.970 10 0 FCAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000422832276 490483423 /nfs/dbraw/zinc/48/34/23/490483423.db2.gz FMMKIAKPYRBJAD-HKUYNNGSSA-N 2 0 366.550 0.970 10 0 FCAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422912619 490495732 /nfs/dbraw/zinc/49/57/32/490495732.db2.gz NPGFNLYXYGAVSU-MOPGFXCFSA-N 2 0 360.502 0.835 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)Cc1ccccc1 ZINC000422953095 490504752 /nfs/dbraw/zinc/50/47/52/490504752.db2.gz DBFMUTMRERQEHT-QGZVFWFLSA-N 2 0 358.486 0.630 10 0 FCAERP C[NH+]1CCC(CNC(=O)N2CC[NH+]3CCC2CC3)(N2CCOCC2)CC1 ZINC000571861616 491333468 /nfs/dbraw/zinc/33/34/68/491333468.db2.gz BFFBRTCOFBAHNU-UHFFFAOYSA-N 2 0 365.522 0.273 10 0 FCAERP CC[NH+]1CC[C@@H](CNC(=O)CSCC(=O)NC[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000536016039 490546237 /nfs/dbraw/zinc/54/62/37/490546237.db2.gz AGMIHXWGPVAHJN-HOTGVXAUSA-N 2 0 370.563 0.636 10 0 FCAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H]2CCC[C@@H]21 ZINC000556886877 491342721 /nfs/dbraw/zinc/34/27/21/491342721.db2.gz PRWDRKQSZGPECB-BDXSIMOUSA-N 2 0 350.507 0.382 10 0 FCAERP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564987079 491343699 /nfs/dbraw/zinc/34/36/99/491343699.db2.gz NPCSIOZONPZFEX-ZACQAIPSSA-N 2 0 374.485 0.884 10 0 FCAERP COCC[N@H+](C)CCN1C[C@@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)CC1=O ZINC000556928393 491343880 /nfs/dbraw/zinc/34/38/80/491343880.db2.gz AMHNKCCLXUSKLY-IRXDYDNUSA-N 2 0 368.522 0.546 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000550464822 490671282 /nfs/dbraw/zinc/67/12/82/490671282.db2.gz OEMKERVRYBNOKU-QGZVFWFLSA-N 2 0 368.522 0.452 10 0 FCAERP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccnc(N4CCN(C)CC4)c3)[C@H]2C1 ZINC000502524540 490707630 /nfs/dbraw/zinc/70/76/30/490707630.db2.gz YNWMBHMSDAWUJZ-ZWKOTPCHSA-N 2 0 373.501 0.769 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000502893132 490728231 /nfs/dbraw/zinc/72/82/31/490728231.db2.gz FROCUKDYZQNYRE-UHFFFAOYSA-N 2 0 368.522 0.853 10 0 FCAERP C[NH+]1CCC(CCNC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000557085426 491352496 /nfs/dbraw/zinc/35/24/96/491352496.db2.gz YOWBTUHBAQONCJ-UHFFFAOYSA-N 2 0 350.507 0.968 10 0 FCAERP C[NH+](C)CCn1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000565183147 491357905 /nfs/dbraw/zinc/35/79/05/491357905.db2.gz VNRUBYXXBZYLFN-QGZVFWFLSA-N 2 0 362.522 0.687 10 0 FCAERP CC1CC[NH+](CCNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000529290924 490847940 /nfs/dbraw/zinc/84/79/40/490847940.db2.gz GPOQBSYGTOSLSO-UHFFFAOYSA-N 2 0 366.510 0.071 10 0 FCAERP [NH3+][C@@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000529334533 490854205 /nfs/dbraw/zinc/85/42/05/490854205.db2.gz VPCHBMPJERTNSI-INIZCTEOSA-N 2 0 360.462 0.039 10 0 FCAERP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000557246412 491361749 /nfs/dbraw/zinc/36/17/49/491361749.db2.gz FZJXTSKHOJMABU-CVEARBPZSA-N 2 0 368.428 0.942 10 0 FCAERP 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490926476 /nfs/dbraw/zinc/92/64/76/490926476.db2.gz FZUGYTKBWKCILD-SFHVURJKSA-N 2 0 362.474 0.497 10 0 FCAERP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)CC1 ZINC000544486653 490969857 /nfs/dbraw/zinc/96/98/57/490969857.db2.gz HEPGKMRDZXAXBG-MOPGFXCFSA-N 2 0 369.550 0.892 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000565962511 491409658 /nfs/dbraw/zinc/40/96/58/491409658.db2.gz RXBSJGSSPLGYBZ-NZSAHSFTSA-N 2 0 372.513 0.876 10 0 FCAERP COc1cc(OC)cc(OCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000566116365 491418497 /nfs/dbraw/zinc/41/84/97/491418497.db2.gz OXXSZRNUMCVLPZ-OAHLLOKOSA-N 2 0 353.463 0.281 10 0 FCAERP CCN(C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000668369243 493341895 /nfs/dbraw/zinc/34/18/95/493341895.db2.gz ROJMGADTIPRBQQ-MSOLQXFVSA-N 2 0 360.502 0.828 10 0 FCAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)[C@H]1Oc1ccccc1 ZINC000566132409 491419132 /nfs/dbraw/zinc/41/91/32/491419132.db2.gz 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0.251 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000652666907 492982451 /nfs/dbraw/zinc/98/24/51/492982451.db2.gz WZKFLNBSBOPVMS-FGTMMUONSA-N 2 0 374.485 0.199 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC000658624381 492985486 /nfs/dbraw/zinc/98/54/86/492985486.db2.gz NBIRMVLUNBHUGG-IXDOHACOSA-N 2 0 368.522 0.497 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652683017 492988963 /nfs/dbraw/zinc/98/89/63/492988963.db2.gz AYIXIQWYTIYDMT-BRWVUGGUSA-N 2 0 368.522 0.437 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000652719805 493001789 /nfs/dbraw/zinc/00/17/89/493001789.db2.gz NCUYWBPSZIQJOR-QZTJIDSGSA-N 2 0 358.486 0.965 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000652728010 493006470 /nfs/dbraw/zinc/00/64/70/493006470.db2.gz PLDVWXWGAPPHCT-IXDOHACOSA-N 2 0 366.506 0.286 10 0 FCAERP Cc1scc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000632487900 493007851 /nfs/dbraw/zinc/00/78/51/493007851.db2.gz YLJGKIZIUAJZBF-UHFFFAOYSA-N 2 0 354.520 0.933 10 0 FCAERP C[NH+]1CCC2(CC1)CN(CC(=O)NC1CC[NH+](C3CC3)CC1)CCO2 ZINC000646103600 493012701 /nfs/dbraw/zinc/01/27/01/493012701.db2.gz KQEGHJAYVOIMOG-UHFFFAOYSA-N 2 0 350.507 0.526 10 0 FCAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000658751983 493041520 /nfs/dbraw/zinc/04/15/20/493041520.db2.gz SVHYGBDEXGVYLE-SJORKVTESA-N 2 0 368.522 0.497 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000626867170 493041825 /nfs/dbraw/zinc/04/18/25/493041825.db2.gz PNMJAPOHISKGHA-OAHLLOKOSA-N 2 0 364.446 0.363 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)c2)CC1 ZINC000626910974 493060202 /nfs/dbraw/zinc/06/02/02/493060202.db2.gz ORDDRDUXEBYYLC-WMLDXEAASA-N 2 0 359.474 0.634 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658802448 493060589 /nfs/dbraw/zinc/06/05/89/493060589.db2.gz NPPQHEMOVMZOEQ-IAGOWNOFSA-N 2 0 368.522 0.498 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1=O ZINC000653037451 493062973 /nfs/dbraw/zinc/06/29/73/493062973.db2.gz CLFCECXKJJXJGU-INIZCTEOSA-N 2 0 368.547 0.436 10 0 FCAERP CCN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000658820407 493068548 /nfs/dbraw/zinc/06/85/48/493068548.db2.gz DGOUVZHWZKUVAV-IRXDYDNUSA-N 2 0 368.522 0.498 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000658826695 493074059 /nfs/dbraw/zinc/07/40/59/493074059.db2.gz RKODSVDHKVWIOB-IAGOWNOFSA-N 2 0 350.507 0.873 10 0 FCAERP [NH3+]C1(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCOCC1 ZINC000627002312 493078761 /nfs/dbraw/zinc/07/87/61/493078761.db2.gz PSLPHKZYCXILOS-HZPDHXFCSA-N 2 0 354.495 0.561 10 0 FCAERP [NH3+]CC1(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCOCC1 ZINC000627011501 493079931 /nfs/dbraw/zinc/07/99/31/493079931.db2.gz BWULBQXKTQCJQL-KRWDZBQOSA-N 2 0 362.474 0.560 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CCO1 ZINC000658927617 493112129 /nfs/dbraw/zinc/11/21/29/493112129.db2.gz URSQURQBSSNTPC-QGZVFWFLSA-N 2 0 368.522 0.356 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000627238083 493115365 /nfs/dbraw/zinc/11/53/65/493115365.db2.gz ACYDBCRLYDAKKJ-GOEBONIOSA-N 2 0 367.538 0.862 10 0 FCAERP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000633087661 493119268 /nfs/dbraw/zinc/11/92/68/493119268.db2.gz GVVPITRVNZOUJG-HNNXBMFYSA-N 2 0 354.495 0.286 10 0 FCAERP [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000633101902 493126324 /nfs/dbraw/zinc/12/63/24/493126324.db2.gz DTOHPDZFGLQUHY-IRXDYDNUSA-N 2 0 366.506 0.287 10 0 FCAERP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000633103144 493126682 /nfs/dbraw/zinc/12/66/82/493126682.db2.gz NTUABBSDZPAASD-CABCVRRESA-N 2 0 352.479 0.038 10 0 FCAERP C[C@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)[C@H](C)C(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000646917887 493127085 /nfs/dbraw/zinc/12/70/85/493127085.db2.gz JKSYSRWTCNUDMI-WJWMFLMHSA-N 2 0 362.518 0.584 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000633110318 493130783 /nfs/dbraw/zinc/13/07/83/493130783.db2.gz HLRAKDVEOVWNQK-QRQLOZEOSA-N 2 0 372.513 0.815 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633112269 493131608 /nfs/dbraw/zinc/13/16/08/493131608.db2.gz DCVNJKGGAAAFCW-HZPDHXFCSA-N 2 0 350.507 0.907 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000627291792 493135586 /nfs/dbraw/zinc/13/55/86/493135586.db2.gz FMJBSEDQCCAIGJ-BBWFWOEESA-N 2 0 362.474 0.671 10 0 FCAERP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627292488 493136350 /nfs/dbraw/zinc/13/63/50/493136350.db2.gz VZKAGOUEFZZNBP-DLBZAZTESA-N 2 0 356.470 0.778 10 0 FCAERP CC[N@H+](CCNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CC1 ZINC000659078136 493141770 /nfs/dbraw/zinc/14/17/70/493141770.db2.gz GXVWOPBBZIPSOR-QGZVFWFLSA-N 2 0 360.458 0.887 10 0 FCAERP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659077492 493142030 /nfs/dbraw/zinc/14/20/30/493142030.db2.gz DRNRNLZZHLXYKT-YOEHRIQHSA-N 2 0 360.458 0.696 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1C ZINC000659077942 493142043 /nfs/dbraw/zinc/14/20/43/493142043.db2.gz GBFXDOLQWDPWRJ-KBRIMQKVSA-N 2 0 360.458 0.885 10 0 FCAERP C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659080983 493143925 /nfs/dbraw/zinc/14/39/25/493143925.db2.gz UCCGOUBQVZWDQI-KRWDZBQOSA-N 2 0 360.458 0.744 10 0 FCAERP C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)C[C@H]2C1 ZINC000659082464 493144731 /nfs/dbraw/zinc/14/47/31/493144731.db2.gz GXGOCNNTACZFCE-UXLLHSPISA-N 2 0 358.442 0.306 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000627311849 493145694 /nfs/dbraw/zinc/14/56/94/493145694.db2.gz JEEAVEDSMURKBO-HNNXBMFYSA-N 2 0 356.511 0.308 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)c2)CC1 ZINC000659100308 493152870 /nfs/dbraw/zinc/15/28/70/493152870.db2.gz MGVDQFYDXGTLBX-UHFFFAOYSA-N 2 0 371.485 0.717 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000627329491 493156194 /nfs/dbraw/zinc/15/61/94/493156194.db2.gz LUAYNNHEGIETPY-CGTJXYLNSA-N 2 0 374.485 0.260 10 0 FCAERP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659110284 493157115 /nfs/dbraw/zinc/15/71/15/493157115.db2.gz ABQGJRRRFPWIIK-CHWSQXEVSA-N 2 0 352.410 0.593 10 0 FCAERP C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cccc21 ZINC000659109139 493157553 /nfs/dbraw/zinc/15/75/53/493157553.db2.gz ZFGFSAADOYGPAI-NFAWXSAZSA-N 2 0 364.421 0.908 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000659112909 493160258 /nfs/dbraw/zinc/16/02/58/493160258.db2.gz ATTTXFNGBVCYRK-KRWDZBQOSA-N 2 0 360.458 0.798 10 0 FCAERP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000627338788 493161483 /nfs/dbraw/zinc/16/14/83/493161483.db2.gz QKFVYCYQORKXCI-QGZVFWFLSA-N 2 0 374.485 0.644 10 0 FCAERP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)Cc1ccccc1 ZINC000627350806 493168826 /nfs/dbraw/zinc/16/88/26/493168826.db2.gz BYEQATRCJHOLBX-CGTJXYLNSA-N 2 0 360.502 0.922 10 0 FCAERP CC(C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[NH+]1CCC(C)CC1 ZINC000627351162 493169670 /nfs/dbraw/zinc/16/96/70/493169670.db2.gz KSNXRRJCSUPYFT-INIZCTEOSA-N 2 0 368.522 0.483 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[NH2+]1 ZINC000627354090 493171475 /nfs/dbraw/zinc/17/14/75/493171475.db2.gz SIAQIPFXQYZTOS-RHSMWYFYSA-N 2 0 358.486 0.459 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000627358135 493174640 /nfs/dbraw/zinc/17/46/40/493174640.db2.gz BOLPHVWXNPZNPQ-FUHWJXTLSA-N 2 0 373.501 0.182 10 0 FCAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647216103 493178236 /nfs/dbraw/zinc/17/82/36/493178236.db2.gz URKYBZAGXMAVEE-UHFFFAOYSA-N 2 0 372.510 0.979 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000672454340 493178869 /nfs/dbraw/zinc/17/88/69/493178869.db2.gz FBOJUSUOMWPPLY-INIZCTEOSA-N 2 0 356.511 0.849 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627366377 493181015 /nfs/dbraw/zinc/18/10/15/493181015.db2.gz QHCCINLCPXEUBQ-NXHRZFHOSA-N 2 0 358.486 0.881 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000627379365 493189613 /nfs/dbraw/zinc/18/96/13/493189613.db2.gz KAYXDAMNPVYKAL-WMLDXEAASA-N 2 0 362.474 0.152 10 0 FCAERP [NH3+]CCCOCCNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000627382845 493192570 /nfs/dbraw/zinc/19/25/70/493192570.db2.gz LYLDRUGOJGGVHM-UHFFFAOYSA-N 2 0 368.522 0.631 10 0 FCAERP CN(C(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659364710 493198290 /nfs/dbraw/zinc/19/82/90/493198290.db2.gz OLNUQHHBKXVLHJ-SJORKVTESA-N 2 0 364.490 0.005 10 0 FCAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000659370271 493198626 /nfs/dbraw/zinc/19/86/26/493198626.db2.gz VSJSHUDDWUZXRR-RDJZCZTQSA-N 2 0 356.430 0.943 10 0 FCAERP CC1(OCC(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)C[NH2+]C1 ZINC000659374601 493199976 /nfs/dbraw/zinc/19/99/76/493199976.db2.gz PLPHFZRSXAEVLV-UHFFFAOYSA-N 2 0 358.486 0.836 10 0 FCAERP O=C(NCCCN1CC[NH2+]CC1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659505994 493202761 /nfs/dbraw/zinc/20/27/61/493202761.db2.gz JBFZAFMFSCLUJU-UHFFFAOYSA-N 2 0 367.538 0.472 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000627404790 493204666 /nfs/dbraw/zinc/20/46/66/493204666.db2.gz OAOASAJAKLQKMV-GJZGRUSLSA-N 2 0 352.479 0.086 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000627416825 493208857 /nfs/dbraw/zinc/20/88/57/493208857.db2.gz IQUGLRULMREPHK-HZPDHXFCSA-N 2 0 366.506 0.347 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000627417614 493209280 /nfs/dbraw/zinc/20/92/80/493209280.db2.gz CKGFOJILXFJOAB-HOTGVXAUSA-N 2 0 366.506 0.204 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C[NH2+]1 ZINC000627425829 493214098 /nfs/dbraw/zinc/21/40/98/493214098.db2.gz AOURFLPFGAQXDD-CRAIPNDOSA-N 2 0 373.501 0.667 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000659626470 493221716 /nfs/dbraw/zinc/22/17/16/493221716.db2.gz IVZJJMIPHBUADQ-HOCLYGCPSA-N 2 0 353.511 0.888 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000666980487 493245366 /nfs/dbraw/zinc/24/53/66/493245366.db2.gz ZFRZQWBBTZYRPM-ZWKOTPCHSA-N 2 0 368.522 0.992 10 0 FCAERP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659675882 493245839 /nfs/dbraw/zinc/24/58/39/493245839.db2.gz ZIHMAOIPKDEQDE-TXKKKEFDSA-N 2 0 362.499 0.869 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000659680929 493248980 /nfs/dbraw/zinc/24/89/80/493248980.db2.gz MVDIEBHJOUCOND-UHFFFAOYSA-N 2 0 356.470 0.848 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000659684873 493252164 /nfs/dbraw/zinc/25/21/64/493252164.db2.gz JCSIESLEAWBDGI-KFWWJZLASA-N 2 0 370.856 0.957 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000659689414 493254429 /nfs/dbraw/zinc/25/44/29/493254429.db2.gz CMZHEJWMALEJBX-OHTSDLOESA-N 2 0 356.470 0.717 10 0 FCAERP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659688402 493254464 /nfs/dbraw/zinc/25/44/64/493254464.db2.gz YUZVGXVUSMQKDA-HZPDHXFCSA-N 2 0 356.486 0.758 10 0 FCAERP C[C@H](CCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000659691196 493256197 /nfs/dbraw/zinc/25/61/97/493256197.db2.gz UPAPZUWTCGYBBD-DJIMGWMZSA-N 2 0 364.465 0.911 10 0 FCAERP CC(C)[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[NH+]1CCC(C)CC1 ZINC000659694980 493258082 /nfs/dbraw/zinc/25/80/82/493258082.db2.gz PQCCGSKRFATZLP-KOHRHEQBSA-N 2 0 350.507 0.809 10 0 FCAERP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659698735 493260173 /nfs/dbraw/zinc/26/01/73/493260173.db2.gz JGKKQXOMPZXHNB-ZRZPHAQCSA-N 2 0 356.470 0.493 10 0 FCAERP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000659703778 493263285 /nfs/dbraw/zinc/26/32/85/493263285.db2.gz HCMLLONKLMNXJU-UHFFFAOYSA-N 2 0 374.485 0.502 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000659706160 493264482 /nfs/dbraw/zinc/26/44/82/493264482.db2.gz FDZNGSHNVSUWPS-IKNQFMJRSA-N 2 0 356.470 0.634 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000659717374 493269338 /nfs/dbraw/zinc/26/93/38/493269338.db2.gz GOXQSABGUJIZED-IRXDYDNUSA-N 2 0 368.522 0.579 10 0 FCAERP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659723070 493272681 /nfs/dbraw/zinc/27/26/81/493272681.db2.gz OPAQAIUIAMSARC-MRXNPFEDSA-N 2 0 368.522 0.627 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659725088 493273919 /nfs/dbraw/zinc/27/39/19/493273919.db2.gz ZOLNOXUUALWZQF-QAPCUYQASA-N 2 0 373.501 0.524 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000659727220 493274301 /nfs/dbraw/zinc/27/43/01/493274301.db2.gz IZEHCIBGCDVORV-YLFCFFPRSA-N 2 0 366.506 0.060 10 0 FCAERP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000659739770 493280419 /nfs/dbraw/zinc/28/04/19/493280419.db2.gz ZXRJHZWRTICPNJ-DLBZAZTESA-N 2 0 350.507 0.825 10 0 FCAERP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000659740067 493280442 /nfs/dbraw/zinc/28/04/42/493280442.db2.gz KBNZYALZKPRUDB-ROUUACIJSA-N 2 0 370.497 0.965 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000682290382 493288175 /nfs/dbraw/zinc/28/81/75/493288175.db2.gz GAQJJYWGTSQHSU-GOEBONIOSA-N 2 0 364.494 0.572 10 0 FCAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000673123691 493293067 /nfs/dbraw/zinc/29/30/67/493293067.db2.gz KGNUWDHNABGNNZ-MKXAEBJUSA-N 2 0 350.507 0.917 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000673869651 493369567 /nfs/dbraw/zinc/36/95/67/493369567.db2.gz BMEVQDLMTYJULC-INIZCTEOSA-N 2 0 352.483 0.923 10 0 FCAERP C[NH+](C/C=C/C[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000660648766 493369677 /nfs/dbraw/zinc/36/96/77/493369677.db2.gz WZVGTUKSTTXHHO-IIWUUDQXSA-N 2 0 364.534 0.352 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000668544854 493373307 /nfs/dbraw/zinc/37/33/07/493373307.db2.gz LKADDSZOFQUSBW-GVDBMIGSSA-N 2 0 366.506 0.299 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C[NH+]1CCCC1 ZINC000668581977 493378699 /nfs/dbraw/zinc/37/86/99/493378699.db2.gz OYZRHGPFWDPFTD-IAGOWNOFSA-N 2 0 368.522 0.404 10 0 FCAERP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C/C=C\CN1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000660826116 493382562 /nfs/dbraw/zinc/38/25/62/493382562.db2.gz ZFUCPCILDCMBAC-DTGBZTBESA-N 2 0 368.566 0.316 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000660865727 493389117 /nfs/dbraw/zinc/38/91/17/493389117.db2.gz UFGDQXNPERDNJS-IAGOWNOFSA-N 2 0 367.538 0.565 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000668742015 493404091 /nfs/dbraw/zinc/40/40/91/493404091.db2.gz DZLXKXGQCNLFCK-ADHGMGHFSA-N 2 0 364.534 0.689 10 0 FCAERP C[C@H](CC[N@@H+]1CC[C@H](Cn2ccnn2)C1)[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661146162 493411447 /nfs/dbraw/zinc/41/14/47/493411447.db2.gz RXFGWNBBVQGNCU-SQNIBIBYSA-N 2 0 358.494 0.992 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)cn1 ZINC000684646280 493425180 /nfs/dbraw/zinc/42/51/80/493425180.db2.gz NFMLMMULBPMXNU-UHFFFAOYSA-N 2 0 362.478 0.516 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3NC(=O)CC[C@H]3C2)C1 ZINC000661605944 493450837 /nfs/dbraw/zinc/45/08/37/493450837.db2.gz SRWXVXRCBVYXFX-BBWFWOEESA-N 2 0 366.506 0.060 10 0 FCAERP CCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000669250347 493482732 /nfs/dbraw/zinc/48/27/32/493482732.db2.gz JEYSIIMHKVKHOG-JKSUJKDBSA-N 2 0 354.495 0.156 10 0 FCAERP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290836 493503799 /nfs/dbraw/zinc/50/37/99/493503799.db2.gz LTJSDRYIAILTDP-HOCLYGCPSA-N 2 0 350.507 0.824 10 0 FCAERP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)NCCCN1CCCC1=O ZINC000662296103 493504656 /nfs/dbraw/zinc/50/46/56/493504656.db2.gz VYAWGTAPNCLQCU-KRWDZBQOSA-N 2 0 350.507 0.827 10 0 FCAERP CN(CCCNC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)S(C)(=O)=O ZINC000662298397 493504896 /nfs/dbraw/zinc/50/48/96/493504896.db2.gz VXQVXMDUXWXHQR-MRXNPFEDSA-N 2 0 374.551 0.096 10 0 FCAERP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662437611 493515333 /nfs/dbraw/zinc/51/53/33/493515333.db2.gz GEQBJYRLZZOHBG-AWEZNQCLSA-N 2 0 363.462 0.459 10 0 FCAERP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676089415 493522377 /nfs/dbraw/zinc/52/23/77/493522377.db2.gz FUYJSZAVBOCSCG-AWEZNQCLSA-N 2 0 350.467 0.231 10 0 FCAERP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676089430 493522662 /nfs/dbraw/zinc/52/26/62/493522662.db2.gz FUYJSZAVBOCSCG-CQSZACIVSA-N 2 0 350.467 0.231 10 0 FCAERP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000676089269 493522925 /nfs/dbraw/zinc/52/29/25/493522925.db2.gz DOIFOLOMOYQJIK-LSDHHAIUSA-N 2 0 364.494 0.762 10 0 FCAERP CN1Cc2ccc(NC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)cc2C1 ZINC000676099907 493525219 /nfs/dbraw/zinc/52/52/19/493525219.db2.gz JWDAANUUQHHGRR-UHFFFAOYSA-N 2 0 356.430 0.967 10 0 FCAERP [NH3+]C1(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC2(CCC2)C1 ZINC000662815083 493544262 /nfs/dbraw/zinc/54/42/62/493544262.db2.gz HFOJWGLLDBAICW-GJZGRUSLSA-N 2 0 361.490 0.395 10 0 FCAERP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000662857418 493547241 /nfs/dbraw/zinc/54/72/41/493547241.db2.gz ARHVJKNVMCFGMS-XVLXNVKGSA-N 2 0 371.481 0.684 10 0 FCAERP CN(C(=O)COC1CCC([NH3+])CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900190 493550116 /nfs/dbraw/zinc/55/01/16/493550116.db2.gz KFNHKXHQUHDSHO-NXYGQSRBSA-N 2 0 352.523 0.900 10 0 FCAERP CN(C(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662924358 493554325 /nfs/dbraw/zinc/55/43/25/493554325.db2.gz XZIWEONDFOATGD-GNZRSQJKSA-N 2 0 356.470 0.669 10 0 FCAERP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000662948151 493559574 /nfs/dbraw/zinc/55/95/74/493559574.db2.gz GINVIWHCHVPARQ-GDBMZVCRSA-N 2 0 354.495 0.141 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCO1 ZINC000662969030 493561913 /nfs/dbraw/zinc/56/19/13/493561913.db2.gz KFKOZDQSYJGQRA-HZMVEIRTSA-N 2 0 366.506 0.141 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CCO1 ZINC000662972049 493562472 /nfs/dbraw/zinc/56/24/72/493562472.db2.gz HLAGTCYNUBZLCX-JKSUJKDBSA-N 2 0 364.494 0.776 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CCO1 ZINC000662972045 493562597 /nfs/dbraw/zinc/56/25/97/493562597.db2.gz HLAGTCYNUBZLCX-HOTGVXAUSA-N 2 0 364.494 0.776 10 0 FCAERP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663016211 493566640 /nfs/dbraw/zinc/56/66/40/493566640.db2.gz BOYYLMZPUFAHDN-VYDXJSESSA-N 2 0 360.506 0.913 10 0 FCAERP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670484172 493573333 /nfs/dbraw/zinc/57/33/33/493573333.db2.gz OKXXXKFCLBVBMT-GOSISDBHSA-N 2 0 358.486 0.978 10 0 FCAERP COc1ccccc1[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000670515435 493576504 /nfs/dbraw/zinc/57/65/04/493576504.db2.gz ZVKKQDHOIBIICP-OAHLLOKOSA-N 2 0 364.490 0.824 10 0 FCAERP COCC[NH+]1CCC(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000663826844 493620163 /nfs/dbraw/zinc/62/01/63/493620163.db2.gz UTCFQMRJHUMARB-QGZVFWFLSA-N 2 0 356.511 0.849 10 0 FCAERP CCN(C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000663914906 493625286 /nfs/dbraw/zinc/62/52/86/493625286.db2.gz BONIKSLPBDIUIU-HZPDHXFCSA-N 2 0 353.511 0.665 10 0 FCAERP CCN(C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664176773 493641680 /nfs/dbraw/zinc/64/16/80/493641680.db2.gz WZRKRCLKQXTWNA-HOTGVXAUSA-N 2 0 353.511 0.700 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000664312709 493652535 /nfs/dbraw/zinc/65/25/35/493652535.db2.gz ZONLHTRQXBLUJF-RDJZCZTQSA-N 2 0 359.584 0.995 10 0 FCAERP CN(CCC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1cc[nH+]cc1 ZINC000679408018 493678608 /nfs/dbraw/zinc/67/86/08/493678608.db2.gz VNBHYZGEWPDHGL-KRWDZBQOSA-N 2 0 359.474 0.849 10 0 FCAERP CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)[C@H]2C1 ZINC000664915792 493689806 /nfs/dbraw/zinc/68/98/06/493689806.db2.gz LVDHLNORFIKOOT-OKZBNKHCSA-N 2 0 367.538 0.816 10 0 FCAERP CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)[C@@H]2C1 ZINC000664915793 493689921 /nfs/dbraw/zinc/68/99/21/493689921.db2.gz LVDHLNORFIKOOT-RCCFBDPRSA-N 2 0 367.538 0.816 10 0 FCAERP COC[C@H](CCC[NH3+])[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236395 493706196 /nfs/dbraw/zinc/70/61/96/493706196.db2.gz LWFOYHCQIHSBSZ-LBPRGKRZSA-N 2 0 359.268 0.917 10 0 FCAERP COC[C@@H](CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)OC ZINC000665516661 493720254 /nfs/dbraw/zinc/72/02/54/493720254.db2.gz RDTMSFPEOPAWEQ-IAGOWNOFSA-N 2 0 356.511 0.848 10 0 FCAERP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000665759357 493733366 /nfs/dbraw/zinc/73/33/66/493733366.db2.gz DHASJDIMXMAROQ-KRWDZBQOSA-N 2 0 371.570 0.793 10 0 FCAERP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000672118175 493737165 /nfs/dbraw/zinc/73/71/65/493737165.db2.gz QNQITMVNCIDMQI-ZWKOTPCHSA-N 2 0 358.486 0.835 10 0 FCAERP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000423181516 535571584 /nfs/dbraw/zinc/57/15/84/535571584.db2.gz LCAJMGWROOERJY-ZWKOTPCHSA-N 2 0 361.486 0.897 10 0 FCAERP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000453823732 536034821 /nfs/dbraw/zinc/03/48/21/536034821.db2.gz SEMLTMTWXXVJIM-KRWDZBQOSA-N 2 0 362.474 0.650 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C(N)=O)CC[C@@H]2C)C1 ZINC000363475470 546528349 /nfs/dbraw/zinc/52/83/49/546528349.db2.gz AQCKIQUXPOUFTP-HRCADAONSA-N 2 0 354.495 0.045 10 0 FCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000127032470 546557404 /nfs/dbraw/zinc/55/74/04/546557404.db2.gz ZEXOLLXMKRBUAD-HNNXBMFYSA-N 2 0 350.467 0.374 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000127600763 546561925 /nfs/dbraw/zinc/56/19/25/546561925.db2.gz XVLFSCUDFKMEDC-CQSZACIVSA-N 2 0 350.467 0.183 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000592274347 546623515 /nfs/dbraw/zinc/62/35/15/546623515.db2.gz RJPCHPKTZXIRKQ-MRXNPFEDSA-N 2 0 355.479 0.618 10 0 FCAERP CC[C@@H](CO)[NH+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000371306327 546894653 /nfs/dbraw/zinc/89/46/53/546894653.db2.gz UIKHOHPFAMGYDV-KRWDZBQOSA-N 2 0 353.507 0.937 10 0 FCAERP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCCC[NH+]2CCO)CCCO1 ZINC000458713403 546928437 /nfs/dbraw/zinc/92/84/37/546928437.db2.gz HMJPSFIFOWMKOX-SJORKVTESA-N 2 0 356.511 0.633 10 0 FCAERP O=C(CSCC(=O)N1CC([NH+]2CCCC2)C1)N1CC([NH+]2CCCC2)C1 ZINC000898606565 665889614 /nfs/dbraw/zinc/88/96/14/665889614.db2.gz XMNYIPMEIIEXIZ-UHFFFAOYSA-N 2 0 366.531 0.333 10 0 FCAERP Cn1nc(Br)nc1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000895417768 665043615 /nfs/dbraw/zinc/04/36/15/665043615.db2.gz GZULSAWQCZUKKE-VXGBXAGGSA-N 2 0 359.316 0.749 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896043432 665068451 /nfs/dbraw/zinc/06/84/51/665068451.db2.gz OZHFSQRXWNQPCL-ROUUACIJSA-N 3 0 352.523 0.582 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000906488031 666054395 /nfs/dbraw/zinc/05/43/95/666054395.db2.gz KEAHWTLLWCYCMR-GOSISDBHSA-N 3 0 353.555 0.354 10 0 FCAERP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)CC1 ZINC000907384043 666127009 /nfs/dbraw/zinc/12/70/09/666127009.db2.gz KDVJZDLQCSZWLT-KSZLIROESA-N 2 0 350.507 0.382 10 0 FCAERP C[NH+](C)C[C@]1(O)CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000907781282 666161342 /nfs/dbraw/zinc/16/13/42/666161342.db2.gz FTJKUTNQJPWUGS-FAFZWHIHSA-N 2 0 353.507 0.793 10 0 FCAERP C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000907781286 666161361 /nfs/dbraw/zinc/16/13/61/666161361.db2.gz FTJKUTNQJPWUGS-TVPLGVNVSA-N 2 0 353.507 0.793 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC(=O)NCC[NH+]2CCCCC2)C1 ZINC000909314137 666231114 /nfs/dbraw/zinc/23/11/14/666231114.db2.gz DBTYTHOIKYVPED-SFHVURJKSA-N 2 0 356.486 0.917 10 0 FCAERP CN1CC[NH+](CCCCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000919500270 667180730 /nfs/dbraw/zinc/18/07/30/667180730.db2.gz ARSQFLSSZUPAQG-IAGOWNOFSA-N 2 0 369.579 0.893 10 0 FCAERP C[C@@H]1CC[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C[C@@H]1C[NH3+] ZINC000923375475 667829145 /nfs/dbraw/zinc/82/91/45/667829145.db2.gz MSLSWLKKOPTRFK-QLFBSQMISA-N 2 0 361.552 0.905 10 0 FCAERP C(CN1CC[NH2+]CCN(CCC2CC[NH2+]CC2)CC1)C1CC[NH2+]CC1 ZINC000923394134 667830597 /nfs/dbraw/zinc/83/05/97/667830597.db2.gz CLDYIERXSUOPQD-UHFFFAOYSA-N 3 0 351.583 0.973 10 0 FCAERP C[C@H]1C[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923500995 667841613 /nfs/dbraw/zinc/84/16/13/667841613.db2.gz QLVWEFJNBWTGDX-UONOGXRCSA-N 2 0 350.438 0.951 10 0 FCAERP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)S(C)(=O)=O ZINC000923498902 667841765 /nfs/dbraw/zinc/84/17/65/667841765.db2.gz QRKKSHGTQBBOIA-HUUCEWRRSA-N 2 0 362.540 0.079 10 0 FCAERP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1C[NH3+] ZINC000923507848 667842180 /nfs/dbraw/zinc/84/21/80/667842180.db2.gz KVTFJXKGMIRLJQ-KGLIPLIRSA-N 2 0 368.503 0.792 10 0 FCAERP COC(=O)[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]([C@@H]2CCCO2)C1 ZINC000923555770 667848525 /nfs/dbraw/zinc/84/85/25/667848525.db2.gz VNVIMOJLFLOYDS-PMPSAXMXSA-N 2 0 353.463 0.241 10 0 FCAERP O=S(=O)(NCCCCN1CC[NH+](Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000923591798 667854121 /nfs/dbraw/zinc/85/41/21/667854121.db2.gz KKMSYJHANCPZNQ-UHFFFAOYSA-N 2 0 366.531 0.476 10 0 FCAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923600622 667864429 /nfs/dbraw/zinc/86/44/29/667864429.db2.gz ACTQCSLPNHCHMQ-BRWVUGGUSA-N 2 0 358.552 0.559 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000818961374 668965889 /nfs/dbraw/zinc/96/58/89/668965889.db2.gz PNGKZXZCPOYNHI-INIZCTEOSA-N 2 0 356.511 0.584 10 0 FCAERP C[C@H](C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000819058404 668975279 /nfs/dbraw/zinc/97/52/79/668975279.db2.gz KQWWWSGUNYQWBD-HZPDHXFCSA-N 2 0 358.527 0.687 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000819198560 668987231 /nfs/dbraw/zinc/98/72/31/668987231.db2.gz RZOGLWKPTDSRCE-HZPDHXFCSA-N 2 0 356.511 0.488 10 0 FCAERP Cc1cc([C@H]([NH3+])CC(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc(Cl)n1 ZINC000825626890 669463135 /nfs/dbraw/zinc/46/31/35/669463135.db2.gz CGMWXZFYYCVAKJ-CYBMUJFWSA-N 2 0 353.854 0.324 10 0 FCAERP CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000842006129 670624777 /nfs/dbraw/zinc/62/47/77/670624777.db2.gz VNGWZFGHHGGIHD-HUUCEWRRSA-N 2 0 359.465 0.794 10 0 FCAERP CC(C)Oc1cccc([C@@H](O)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000843079022 670773731 /nfs/dbraw/zinc/77/37/31/670773731.db2.gz AZCQEQPMXHOSCO-MJGOQNOKSA-N 2 0 351.491 0.705 10 0 FCAERP CC(C)Oc1cccc([C@H](O)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000843079023 670773864 /nfs/dbraw/zinc/77/38/64/670773864.db2.gz AZCQEQPMXHOSCO-PKOBYXMFSA-N 2 0 351.491 0.705 10 0 FCAERP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCN(C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398861 670813355 /nfs/dbraw/zinc/81/33/55/670813355.db2.gz IMSFZMOXHBTWTB-CABCVRRESA-N 2 0 354.495 0.996 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000844223000 670910856 /nfs/dbraw/zinc/91/08/56/670910856.db2.gz QHSGZQGGORKPST-KRWDZBQOSA-N 3 0 352.523 0.535 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000846732085 671143410 /nfs/dbraw/zinc/14/34/10/671143410.db2.gz ATAPVVZOZZKJAH-JKSUJKDBSA-N 2 0 354.495 0.060 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](CO)C[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849593631 671353381 /nfs/dbraw/zinc/35/33/81/671353381.db2.gz QPCCMWKTWSWPDC-ULQDDVLXSA-N 2 0 351.495 0.273 10 0 FCAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(CC[NH3+])CCO)cc1 ZINC000851673627 671456170 /nfs/dbraw/zinc/45/61/70/671456170.db2.gz JZMXIJVDQWKMDZ-IRXDYDNUSA-N 2 0 350.463 0.493 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N1CCc3sccc3C1)C2 ZINC000903491803 675933272 /nfs/dbraw/zinc/93/32/72/675933272.db2.gz BDVRIYMMXCCPAA-IYOUNJFTSA-N 2 0 363.483 0.845 10 0 FCAERP C[C@@H]1CN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C[C@H]1CC[NH3+] ZINC000903496354 675933693 /nfs/dbraw/zinc/93/36/93/675933693.db2.gz LGMNBMCMUSBMOB-INMHGKMJSA-N 2 0 371.547 0.861 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C[C@H]1CC[NH3+] ZINC000903719574 675963493 /nfs/dbraw/zinc/96/34/93/675963493.db2.gz OPLSDDVPYAPHIT-HZPDHXFCSA-N 2 0 350.507 0.907 10 0 FCAERP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903755596 675968275 /nfs/dbraw/zinc/96/82/75/675968275.db2.gz ADPGAFICZRNBPH-RYUDHWBXSA-N 2 0 352.401 0.523 10 0 FCAERP C[NH2+]CCN(C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000903814809 675975821 /nfs/dbraw/zinc/97/58/21/675975821.db2.gz GNOJYFPKVONCIK-INIZCTEOSA-N 2 0 354.495 0.014 10 0 FCAERP COc1cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc(OC)c1OCC(N)=O ZINC000903975135 675985505 /nfs/dbraw/zinc/98/55/05/675985505.db2.gz YBQWQDSZYBYHTD-TZMCWYRMSA-N 2 0 351.447 0.903 10 0 FCAERP COCCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC1CC[NH+](C)CC1 ZINC000903934696 675983767 /nfs/dbraw/zinc/98/37/67/675983767.db2.gz IUZLINUFUQVTGN-QGZVFWFLSA-N 2 0 350.511 0.993 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866815032 672310850 /nfs/dbraw/zinc/31/08/50/672310850.db2.gz YKKNFIVPFVGBDM-QGZVFWFLSA-N 2 0 360.568 0.651 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)[C@@H](C)C1 ZINC000867516506 672329519 /nfs/dbraw/zinc/32/95/19/672329519.db2.gz GILDXFHUKHPVEG-LUKYLMHMSA-N 2 0 350.507 0.728 10 0 FCAERP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000867570428 672339571 /nfs/dbraw/zinc/33/95/71/672339571.db2.gz FBCFBMYGNQSIRQ-UHFFFAOYSA-N 2 0 350.507 0.873 10 0 FCAERP C[C@@H]1CSCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867577927 672341284 /nfs/dbraw/zinc/34/12/84/672341284.db2.gz HLJPFXLECVBYMY-ARFHVFGLSA-N 2 0 370.563 0.396 10 0 FCAERP CCOC(=O)CCCS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867588970 672343244 /nfs/dbraw/zinc/34/32/44/672343244.db2.gz KWYXZFDTELWPQM-HUUCEWRRSA-N 2 0 363.524 0.331 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)C[C@H]1C[NH3+] ZINC000868391084 672398177 /nfs/dbraw/zinc/39/81/77/672398177.db2.gz SDKQEOOGCKKUJS-HZPDHXFCSA-N 2 0 350.507 0.764 10 0 FCAERP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000868395501 672398385 /nfs/dbraw/zinc/39/83/85/672398385.db2.gz NLQFFAUSWALTOU-MRXNPFEDSA-N 2 0 350.507 0.777 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CCC1(C)C ZINC000868407497 672398961 /nfs/dbraw/zinc/39/89/61/672398961.db2.gz WACQHEALIVMEOB-INIZCTEOSA-N 2 0 350.507 0.777 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)COCC(=O)OC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000870017101 672461323 /nfs/dbraw/zinc/46/13/23/672461323.db2.gz FMMQETANOGEEHN-HUUCEWRRSA-N 2 0 357.495 0.543 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2COCCN2CC(F)F)C[C@H]1C[NH+](C)C ZINC000870019921 672461751 /nfs/dbraw/zinc/46/17/51/672461751.db2.gz VWDPNGOZOBWJJG-KFWWJZLASA-N 2 0 362.465 0.150 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CNC(=O)CC2CCCC2)C[C@H]1C[NH+](C)C ZINC000870022873 672462171 /nfs/dbraw/zinc/46/21/71/672462171.db2.gz BMDDFHMILPODAF-IAGOWNOFSA-N 2 0 352.523 0.881 10 0 FCAERP C[NH+](C)CCOc1ccccc1N1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923618423 672483188 /nfs/dbraw/zinc/48/31/88/672483188.db2.gz QUBHVVUSDGSEBF-UHFFFAOYSA-N 2 0 368.503 0.051 10 0 FCAERP [NH3+][C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1cccc(Br)c1 ZINC000870914927 672519739 /nfs/dbraw/zinc/51/97/39/672519739.db2.gz XRGANADGYZOTCM-CABCVRRESA-N 2 0 367.291 0.955 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000871813263 672574397 /nfs/dbraw/zinc/57/43/97/672574397.db2.gz PMSDSVQPVCUSBI-CHWSQXEVSA-N 2 0 372.457 0.023 10 0 FCAERP [NH3+][C@H](C[C@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1)C1CCCC1 ZINC000871823218 672576191 /nfs/dbraw/zinc/57/61/91/672576191.db2.gz RCPRJLWYJPKJED-DJIMGWMZSA-N 2 0 359.536 0.924 10 0 FCAERP O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000872146509 672594707 /nfs/dbraw/zinc/59/47/07/672594707.db2.gz PLKHQBXOEFXIFW-VQHPVUNQSA-N 2 0 351.491 0.639 10 0 FCAERP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872186281 672596863 /nfs/dbraw/zinc/59/68/63/672596863.db2.gz JXQSZNZNQPBBCW-QWHCGFSZSA-N 2 0 366.428 0.628 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@H]1C(F)(F)F ZINC000872191604 672599952 /nfs/dbraw/zinc/59/99/52/672599952.db2.gz YTYFTCIACBOBHR-JHJVBQTASA-N 2 0 362.396 0.279 10 0 FCAERP C[NH+](C)CC1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872196063 672603586 /nfs/dbraw/zinc/60/35/86/672603586.db2.gz UBONYVGBVVPXKE-CHWSQXEVSA-N 2 0 364.412 0.382 10 0 FCAERP O=S(=O)(NCc1ccc(CN2CC[NH2+]CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000923678152 673073104 /nfs/dbraw/zinc/07/31/04/673073104.db2.gz SNNCDRXMZYWMAL-QGZVFWFLSA-N 2 0 352.504 0.263 10 0 FCAERP CN(C)Cc1csc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000924774356 673763816 /nfs/dbraw/zinc/76/38/16/673763816.db2.gz ZXHPDAGAQZWEKE-UHFFFAOYSA-N 2 0 356.540 0.840 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925342945 673788269 /nfs/dbraw/zinc/78/82/69/673788269.db2.gz KBFVLCDILCCYIJ-DOTOQJQBSA-N 2 0 356.511 0.848 10 0 FCAERP O=S(=O)(C1CCOCC1)N1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925569994 673793889 /nfs/dbraw/zinc/79/38/89/673793889.db2.gz UDELTFHOQSGASM-INIZCTEOSA-N 2 0 357.520 0.834 10 0 FCAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)CC[NH2+]CC1 ZINC000925826952 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0.140 10 0 FCAERP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001489017555 1208608692 /nfs/dbraw/zinc/60/86/92/1208608692.db2.gz XSAMDRQGWHQGNS-NVXWUHKLSA-N 2 0 351.495 0.633 10 0 FCAERP CCO[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C[NH2+]CCn1cccn1 ZINC001489021351 1208609765 /nfs/dbraw/zinc/60/97/65/1208609765.db2.gz ZDLRKCNSXLXOSA-NVXWUHKLSA-N 2 0 360.462 0.610 10 0 FCAERP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001489030916 1208613116 /nfs/dbraw/zinc/61/31/16/1208613116.db2.gz HHVGUHOECCGDBS-OWCLPIDISA-N 2 0 364.490 0.446 10 0 FCAERP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001489207269 1208671371 /nfs/dbraw/zinc/67/13/71/1208671371.db2.gz SQRUIWIGWAMNIG-KURKYZTESA-N 2 0 364.534 0.881 10 0 FCAERP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001489209562 1208674767 /nfs/dbraw/zinc/67/47/67/1208674767.db2.gz VBAPNFTZAOZFQD-FGTMMUONSA-N 2 0 362.518 0.921 10 0 FCAERP 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C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550083 1209945269 /nfs/dbraw/zinc/94/52/69/1209945269.db2.gz NIQJXFADZGQDDS-OIISXLGYSA-N 2 0 364.490 0.890 10 0 FCAERP C[C@@H](CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000865816512 1209986612 /nfs/dbraw/zinc/98/66/12/1209986612.db2.gz LJNHUOVRGTVJRG-GJZGRUSLSA-N 2 0 371.526 0.193 10 0 FCAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000866714600 1210005121 /nfs/dbraw/zinc/00/51/21/1210005121.db2.gz SSFYWXHSAWGCFR-HRCADAONSA-N 2 0 354.414 0.634 10 0 FCAERP CC(C)O[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867618066 1210017925 /nfs/dbraw/zinc/01/79/25/1210017925.db2.gz VEICAKRNRPPFOZ-BRWVUGGUSA-N 2 0 368.522 0.210 10 0 FCAERP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H](C)CO1 ZINC000867625333 1210018718 /nfs/dbraw/zinc/01/87/18/1210018718.db2.gz ZLPXCKAQGZWXNH-QBPKDAKJSA-N 2 0 368.522 0.210 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CCF)C2)C[C@H]1C[NH+](C)C ZINC000867630315 1210019359 /nfs/dbraw/zinc/01/93/59/1210019359.db2.gz IGLRKDVHXBMYEC-GVDBMIGSSA-N 2 0 370.513 0.782 10 0 FCAERP Cc1ccoc1CN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867676178 1210021586 /nfs/dbraw/zinc/02/15/86/1210021586.db2.gz OANMWOABJXCFDW-HZPDHXFCSA-N 2 0 364.490 0.744 10 0 FCAERP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000867742871 1210028030 /nfs/dbraw/zinc/02/80/30/1210028030.db2.gz YUBAFOWEZBCZIL-UHFFFAOYSA-N 2 0 368.522 0.498 10 0 FCAERP C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868224308 1210044448 /nfs/dbraw/zinc/04/44/48/1210044448.db2.gz FXEVBAMPHVRPCY-ZWKOTPCHSA-N 2 0 373.501 0.582 10 0 FCAERP C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868231946 1210045266 /nfs/dbraw/zinc/04/52/66/1210045266.db2.gz KTSMHFYGAUGWLP-ZWKOTPCHSA-N 2 0 373.501 0.582 10 0 FCAERP 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O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2ccccc2-n2cncn2)C1 ZINC000872254812 1210182747 /nfs/dbraw/zinc/18/27/47/1210182747.db2.gz DGTRAKODNBFSIS-BHYGNILZSA-N 2 0 354.414 0.634 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2COC3(CCC3)C2)C[C@H]1C[NH+](C)C ZINC000875451358 1210374465 /nfs/dbraw/zinc/37/44/65/1210374465.db2.gz AONMTJYNHXCHOG-OAGGEKHMSA-N 2 0 366.506 0.012 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NCC(C)C)CC[N@@H+]1C ZINC001275156393 1211183272 /nfs/dbraw/zinc/18/32/72/1211183272.db2.gz CGELYRRZIAJJLT-SOUVJXGZSA-N 2 0 369.510 0.293 10 0 FCAERP CC1=CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000545858985 1211424481 /nfs/dbraw/zinc/42/44/81/1211424481.db2.gz MMGDLWDRTXZATG-QGZVFWFLSA-N 2 0 365.522 0.880 10 0 FCAERP CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)NCC[NH+]2CCC2)CC1 ZINC000924885002 1211483582 /nfs/dbraw/zinc/48/35/82/1211483582.db2.gz IICZIMSAFNNELQ-UHFFFAOYSA-N 2 0 369.510 0.980 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[C@@H]1C[NH3+] ZINC000926348655 1211537559 /nfs/dbraw/zinc/53/75/59/1211537559.db2.gz UYOTUFLNTGKKCA-GVDBMIGSSA-N 2 0 366.506 0.001 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000926412518 1211547283 /nfs/dbraw/zinc/54/72/83/1211547283.db2.gz PSLJQOSILHTXQJ-MRXNPFEDSA-N 2 0 366.506 0.287 10 0 FCAERP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000927631838 1211576502 /nfs/dbraw/zinc/57/65/02/1211576502.db2.gz WAKWSNACMWGWKL-HDICACEKSA-N 2 0 366.506 0.792 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CCO1 ZINC000927633094 1211577751 /nfs/dbraw/zinc/57/77/51/1211577751.db2.gz LPPQREQPTOUVCB-MSOLQXFVSA-N 2 0 368.522 0.992 10 0 FCAERP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927639497 1211578934 /nfs/dbraw/zinc/57/89/34/1211578934.db2.gz DEVVIWVOPMUOOH-WMZOPIPTSA-N 2 0 367.538 0.565 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@H]1CC[NH3+] ZINC000927834859 1211583988 /nfs/dbraw/zinc/58/39/88/1211583988.db2.gz STOJAYMIJVGPFP-HZPDHXFCSA-N 2 0 373.501 0.820 10 0 FCAERP Cn1nnc2c1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2 ZINC000927848997 1211584980 /nfs/dbraw/zinc/58/49/80/1211584980.db2.gz MGZFOBWGFOJUEC-HNNXBMFYSA-N 2 0 365.526 0.587 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)c2)CC1 ZINC000927851598 1211585706 /nfs/dbraw/zinc/58/57/06/1211585706.db2.gz CIRAFHHFGMXZFA-QGZVFWFLSA-N 2 0 373.501 0.963 10 0 FCAERP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000927881543 1211589564 /nfs/dbraw/zinc/58/95/64/1211589564.db2.gz HFYXOGGIGYMPSU-HXUWFJFHSA-N 2 0 374.485 0.576 10 0 FCAERP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000927882203 1211590225 /nfs/dbraw/zinc/59/02/25/1211590225.db2.gz LCLAEYAHZXSJDL-HXUWFJFHSA-N 2 0 374.485 0.576 10 0 FCAERP CC(C)[NH+](CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)C(C)C ZINC000929145022 1211619165 /nfs/dbraw/zinc/61/91/65/1211619165.db2.gz YMYSEVZOHBOKBT-IRXDYDNUSA-N 2 0 368.522 0.279 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CCCC1 ZINC000929164366 1211620147 /nfs/dbraw/zinc/62/01/47/1211620147.db2.gz RRNLELSPJPXSON-MRXNPFEDSA-N 2 0 366.506 0.347 10 0 FCAERP CC(C)[C@]1(C(=O)N2CCC[NH+](C)CC2)C[C@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000929226411 1211623663 /nfs/dbraw/zinc/62/36/63/1211623663.db2.gz YDCKOISXGCMRJY-FXAWDEMLSA-N 2 0 364.534 0.977 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000929507551 1211642684 /nfs/dbraw/zinc/64/26/84/1211642684.db2.gz SDVALTSZRAVIAQ-KURKYZTESA-N 2 0 373.501 0.934 10 0 FCAERP C[C@H](CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[N@H+](C)C1CC1 ZINC000929960640 1211676463 /nfs/dbraw/zinc/67/64/63/1211676463.db2.gz UGNFMMLKPXBXHS-PBHICJAKSA-N 2 0 361.490 0.790 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)C1CCCC1 ZINC000929996384 1211680419 /nfs/dbraw/zinc/68/04/19/1211680419.db2.gz KEUUSNDFBOHLPY-SJORKVTESA-N 2 0 366.506 0.035 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC[N@@H+]1C ZINC000930146853 1211690875 /nfs/dbraw/zinc/69/08/75/1211690875.db2.gz XKSGKOALYJJDHT-DJIMGWMZSA-N 2 0 361.490 0.790 10 0 FCAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000930201815 1211695490 /nfs/dbraw/zinc/69/54/90/1211695490.db2.gz HVRVKOPUHTVYPA-IKGGRYGDSA-N 2 0 366.506 0.035 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H](C(N)=O)[C@@H]2C)C1 ZINC000930916219 1211728455 /nfs/dbraw/zinc/72/84/55/1211728455.db2.gz OIBGTUQLPCIWJV-TWMKSMIVSA-N 2 0 368.522 0.434 10 0 FCAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001490842614 1211957881 /nfs/dbraw/zinc/95/78/81/1211957881.db2.gz PIJWASLWQWQBAY-VQHPVUNQSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+]1CCN(c2cc(CNC(=O)C[C@]3(O)CCC[N@H+](C)C3)ccn2)CC1 ZINC000900229567 1217973267 /nfs/dbraw/zinc/97/32/67/1217973267.db2.gz OZCDDKZFLXUXLI-LJQANCHMSA-N 2 0 361.490 0.296 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC000900530144 1218002376 /nfs/dbraw/zinc/00/23/76/1218002376.db2.gz VJXQIJOFGRGBGP-APWZRJJASA-N 2 0 362.474 0.049 10 0 FCAERP CN1C[C@@H](O)C[C@@]1(C)C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000900925968 1218056779 /nfs/dbraw/zinc/05/67/79/1218056779.db2.gz PETVRBXAYYRWRQ-PXNSSMCTSA-N 2 0 374.485 0.397 10 0 FCAERP CC(C)N1CC[NH+](C2CCN(C(=O)C[C@]3(O)CCC[N@H+](C)C3)CC2)CC1 ZINC000901240247 1218097857 /nfs/dbraw/zinc/09/78/57/1218097857.db2.gz NFXHMUNGAWYIPX-HXUWFJFHSA-N 2 0 366.550 0.850 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H]1CCN(c3cc(C)nn3C)C1=O)C2 ZINC000903492941 1218426359 /nfs/dbraw/zinc/42/63/59/1218426359.db2.gz MEBDRDHUBIUQRI-LWGWVAHUSA-N 2 0 361.446 0.046 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NCCc1ccccc1C)C2 ZINC000903493407 1218426830 /nfs/dbraw/zinc/42/68/30/1218426830.db2.gz XGHGAWSWIYVJGX-QKLQHJQFSA-N 2 0 359.470 0.866 10 0 FCAERP O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)NC(=O)NC1CCCC1 ZINC000903511372 1218432221 /nfs/dbraw/zinc/43/22/21/1218432221.db2.gz RACXMJUOZMAMRK-CALCHBBNSA-N 2 0 363.506 0.655 10 0 FCAERP CC1(C)CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000903715272 1218505760 /nfs/dbraw/zinc/50/57/60/1218505760.db2.gz SSXUQOYDOUJIOO-QGZVFWFLSA-N 2 0 358.486 0.917 10 0 FCAERP CC1(C)CN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@@H]1[NH3+] ZINC000903734999 1218511177 /nfs/dbraw/zinc/51/11/77/1218511177.db2.gz DVHZTNVTLFENQU-INIZCTEOSA-N 2 0 366.506 0.143 10 0 FCAERP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903886822 1218560276 /nfs/dbraw/zinc/56/02/76/1218560276.db2.gz TWAXTYUUOJQPMW-HYVNUMGLSA-N 2 0 365.522 0.709 10 0 FCAERP Cc1c(C[C@H](C[NH3+])CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cnn1C ZINC000903909935 1218561734 /nfs/dbraw/zinc/56/17/34/1218561734.db2.gz IZCXCYPPQAFJNP-HQRMLTQVSA-N 2 0 362.566 0.804 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804050597 1219102841 /nfs/dbraw/zinc/10/28/41/1219102841.db2.gz JWXHOFJONSNGCE-BHUNQDJPSA-N 2 0 366.506 0.202 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001491153125 1220089011 /nfs/dbraw/zinc/08/90/11/1220089011.db2.gz UATVOKQYHUUWJF-HLLBOEOZSA-N 2 0 350.507 0.776 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC001118122023 1221715588 /nfs/dbraw/zinc/71/55/88/1221715588.db2.gz MWDRHTJNDHMHSJ-GOSISDBHSA-N 2 0 358.486 0.930 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cn1 ZINC001118442977 1221779778 /nfs/dbraw/zinc/77/97/78/1221779778.db2.gz HOSAQEFCEBBFOF-YQVWRLOYSA-N 2 0 363.506 0.371 10 0 FCAERP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC001118552664 1221799639 /nfs/dbraw/zinc/79/96/39/1221799639.db2.gz XAGJZXLAKIZJPU-HZPDHXFCSA-N 2 0 366.506 0.237 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC001118962848 1221850783 /nfs/dbraw/zinc/85/07/83/1221850783.db2.gz NLRMXVHZTZGQKF-UHFFFAOYSA-N 2 0 366.506 0.300 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@H]1C[NH+](C)C ZINC001118981778 1221852737 /nfs/dbraw/zinc/85/27/37/1221852737.db2.gz CEYBZIPHEOPZIF-ZIAGYGMSSA-N 2 0 373.457 0.028 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)c1cccc2c1C[NH2+]CC2 ZINC001119036130 1221859563 /nfs/dbraw/zinc/85/95/63/1221859563.db2.gz DRAJCEIVMKEGJD-MRXNPFEDSA-N 2 0 372.469 0.942 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N(C(C)=O)c2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001119065919 1221862000 /nfs/dbraw/zinc/86/20/00/1221862000.db2.gz DWINZOKXXCIUIK-UHFFFAOYSA-N 2 0 358.442 0.422 10 0 FCAERP CC(=O)N1CCC(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC001119195582 1221885416 /nfs/dbraw/zinc/88/54/16/1221885416.db2.gz UEQUNSKPLVQFNI-QZTJIDSGSA-N 2 0 367.538 0.626 10 0 FCAERP Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)ccc1N1CC[NH+](C)CC1 ZINC001119710828 1221955152 /nfs/dbraw/zinc/95/51/52/1221955152.db2.gz CBUBHWYIOVXKBW-HZPDHXFCSA-N 2 0 373.501 0.739 10 0 FCAERP C[NH+]1CCC(OCC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC001119741626 1221960947 /nfs/dbraw/zinc/96/09/47/1221960947.db2.gz ZSPSKSXWXCUQAM-UHFFFAOYSA-N 2 0 361.490 0.560 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000843330383 1222870420 /nfs/dbraw/zinc/87/04/20/1222870420.db2.gz XOGWGHPWKSJFAR-HNNXBMFYSA-N 2 0 363.414 0.814 10 0 FCAERP Cc1cc(NC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)no1 ZINC001276590510 1223580889 /nfs/dbraw/zinc/58/08/89/1223580889.db2.gz XUZFYRPFLJKZCO-YUELXQCFSA-N 2 0 363.462 0.746 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCNC(=O)/C=C\c2ccccc2)CC1 ZINC000819290069 1245316992 /nfs/dbraw/zinc/31/69/92/1245316992.db2.gz BZVMGKGQPZMGBU-QWUACUGRSA-N 2 0 360.502 0.404 10 0 FCAERP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848931735 1245386668 /nfs/dbraw/zinc/38/66/68/1245386668.db2.gz GXVGHTXUPCINRM-VQHPVUNQSA-N 2 0 368.522 0.591 10 0 FCAERP COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849522880 1245397507 /nfs/dbraw/zinc/39/75/07/1245397507.db2.gz PTQFGLIVFBAWKS-OKZBNKHCSA-N 2 0 363.506 0.682 10 0 FCAERP COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849522878 1245399091 /nfs/dbraw/zinc/39/90/91/1245399091.db2.gz PTQFGLIVFBAWKS-BZSNNMDCSA-N 2 0 363.506 0.682 10 0 FCAERP CC(C)[NH+]1CCC(N2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)CC1 ZINC000897083599 1245465408 /nfs/dbraw/zinc/46/54/08/1245465408.db2.gz CJBRYMVYXGCQNQ-IBGZPJMESA-N 2 0 364.534 0.724 10 0 FCAERP CC(C)C[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)C(=O)NCC[NH+](C)C ZINC000897241229 1245469367 /nfs/dbraw/zinc/46/93/67/1245469367.db2.gz XCFCDTNMYALHKJ-KRWDZBQOSA-N 2 0 368.522 0.306 10 0 FCAERP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000919509734 1245606781 /nfs/dbraw/zinc/60/67/81/1245606781.db2.gz PKLDQMYCBIBAKE-SFHVURJKSA-N 2 0 367.538 0.567 10 0 FCAERP Cn1nc2c(c1C[NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)COCC2 ZINC000921540985 1245644741 /nfs/dbraw/zinc/64/47/41/1245644741.db2.gz XGRHTZAIXAALCF-UHFFFAOYSA-N 2 0 356.474 0.929 10 0 FCAERP CN1CCOC[C@]1(CO)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000922540235 1245681455 /nfs/dbraw/zinc/68/14/55/1245681455.db2.gz PPIYEMOSWLBMJR-HXUWFJFHSA-N 2 0 363.502 0.944 10 0 FCAERP CN1CC(=O)N(CC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1=O ZINC000923396141 1245714256 /nfs/dbraw/zinc/71/42/56/1245714256.db2.gz AHUYNOBUKMXPNH-UHFFFAOYSA-N 2 0 374.489 0.950 10 0 FCAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000923399102 1245714624 /nfs/dbraw/zinc/71/46/24/1245714624.db2.gz OAMGBSFSSGIUKV-NXHRZFHOSA-N 2 0 361.442 0.683 10 0 FCAERP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@@H]3CC[C@H]2[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@H]23)C1 ZINC000923427891 1245718983 /nfs/dbraw/zinc/71/89/83/1245718983.db2.gz LTUJDTNCZNYOIV-ACJJDMNUSA-N 2 0 369.465 0.733 10 0 FCAERP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504697 1245724903 /nfs/dbraw/zinc/72/49/03/1245724903.db2.gz SZTWLEDYIKBMLO-CABCVRRESA-N 2 0 362.474 0.975 10 0 FCAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001515150014 1265446514 /nfs/dbraw/zinc/44/65/14/1265446514.db2.gz JQFZLFKMTXYMAV-USXIJHARSA-N 2 0 350.507 0.681 10 0 FCAERP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+](C)CC1 ZINC001519686030 1265749655 /nfs/dbraw/zinc/74/96/55/1265749655.db2.gz CTFSVWHMCVMWKB-DOTOQJQBSA-N 2 0 353.511 0.175 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)c1cccc2c1C[NH2+]CC2 ZINC001329504430 1265770778 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CC[C@@H]1[C@@H](C(=O)NCCC2CC[NH+]([C@@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001267943327 859520338 /nfs/dbraw/zinc/52/03/38/859520338.db2.gz IZSHCHGDNUMHOP-GVDBMIGSSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001268794228 859541748 /nfs/dbraw/zinc/54/17/48/859541748.db2.gz ZUABOLWIHCLZFP-GDBMZVCRSA-N 2 0 354.495 0.060 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@H]3CCN(C)C3=O)CCCC2)CC[N@@H+]1C ZINC001270749905 859837117 /nfs/dbraw/zinc/83/71/17/859837117.db2.gz VCTHFEZLHGJBCE-HRCADAONSA-N 2 0 350.507 0.966 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001272439002 860155834 /nfs/dbraw/zinc/15/58/34/860155834.db2.gz FUGAUPJMYBYXFN-IXDOHACOSA-N 2 0 350.507 0.777 10 0 FCAERP CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001272789744 860258630 /nfs/dbraw/zinc/25/86/30/860258630.db2.gz FCPARAQGGXRWRE-MELADBBJSA-N 2 0 355.483 0.047 10 0 FCAERP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001281791432 863746615 /nfs/dbraw/zinc/74/66/15/863746615.db2.gz NLJVKAKHQAKVLB-OAGGEKHMSA-N 2 0 354.495 0.012 10 0 FCAERP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001281848378 863819186 /nfs/dbraw/zinc/81/91/86/863819186.db2.gz RWNHXKBQTFCMIT-BFYDXBDKSA-N 2 0 354.495 0.010 10 0 FCAERP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1OC)[NH+](C)C ZINC001281849616 863821390 /nfs/dbraw/zinc/82/13/90/863821390.db2.gz DPZCMKYZVLJHBC-BZUAXINKSA-N 2 0 354.495 0.010 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001282273644 864158552 /nfs/dbraw/zinc/15/85/52/864158552.db2.gz FBOVOUNGJOZLHZ-OWCLPIDISA-N 2 0 350.507 0.776 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1 ZINC001282513885 864316896 /nfs/dbraw/zinc/31/68/96/864316896.db2.gz BHYMDGKNZYBNRO-BRWVUGGUSA-N 2 0 350.507 0.635 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(CCCNC(=O)[C@@H]2CC[NH+](C)C2)C2CC2)CC[N@@H+]1C ZINC001283789641 864519912 /nfs/dbraw/zinc/51/99/12/864519912.db2.gz FSHKUHSLWUVUKJ-BFYDXBDKSA-N 2 0 350.507 0.776 10 0 FCAERP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001289537862 865124736 /nfs/dbraw/zinc/12/47/36/865124736.db2.gz AZTNOSSWFZCEKS-CAOSSQGBSA-N 2 0 354.495 0.010 10 0 FCAERP CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]21)[NH+](C)C ZINC001289833708 865293422 /nfs/dbraw/zinc/29/34/22/865293422.db2.gz XQIKUTOOXGVFHG-JFIYKMOQSA-N 2 0 352.523 0.972 10 0 FCAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001290962393 865572149 /nfs/dbraw/zinc/57/21/49/865572149.db2.gz LQKYTAGFLZNLOZ-MDZRGWNJSA-N 2 0 350.507 0.635 10 0 FCAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC001295495399 865900190 /nfs/dbraw/zinc/90/01/90/865900190.db2.gz CLFPZAGQRNWXGO-SJORKVTESA-N 2 0 353.507 0.793 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001297295151 866020489 /nfs/dbraw/zinc/02/04/89/866020489.db2.gz OENYQJSZCRRHTL-LUKYLMHMSA-N 2 0 350.507 0.870 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)CC[N@@H+]1C ZINC001351076593 866771849 /nfs/dbraw/zinc/77/18/49/866771849.db2.gz NYZVRMBBJMHFJK-OWCLPIDISA-N 2 0 350.507 0.776 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CC2(F)F)C[C@H]1C[NH+](C)C ZINC001351930565 866998744 /nfs/dbraw/zinc/99/87/44/866998744.db2.gz DFQQPNSVGNCMAD-MCIONIFRSA-N 2 0 360.449 0.346 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001316693155 867402744 /nfs/dbraw/zinc/40/27/44/867402744.db2.gz LZAHWOWVINSOFV-BZUAXINKSA-N 2 0 354.495 0.188 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001353789212 867490998 /nfs/dbraw/zinc/49/09/98/867490998.db2.gz RWEQCIDDOVOKEX-WCXIOVBPSA-N 2 0 350.507 0.966 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC[C@H]1C(F)(F)F ZINC001353934065 867521618 /nfs/dbraw/zinc/52/16/18/867521618.db2.gz AHYHZZXJMFTKCE-YNEHKIRRSA-N 2 0 362.396 0.421 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001317323728 867529272 /nfs/dbraw/zinc/52/92/72/867529272.db2.gz XSJGFEXHNFDYKX-BRWVUGGUSA-N 2 0 350.507 0.777 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H](C)[NH2+]CCOCCO)CC2)CC[N@@H+]1C ZINC001317671233 867546360 /nfs/dbraw/zinc/54/63/60/867546360.db2.gz GIYTVSRZUQZNOB-BPQIPLTHSA-N 2 0 355.523 0.942 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cn1 ZINC001354701815 867651118 /nfs/dbraw/zinc/65/11/18/867651118.db2.gz TUKMQPNRMIFYRN-MRXNPFEDSA-N 2 0 350.467 0.820 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]C[C@@H](C)CS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001323443663 869194251 /nfs/dbraw/zinc/19/42/51/869194251.db2.gz PMXZYNUNZULOSP-QLFBSQMISA-N 2 0 359.536 0.636 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)C(F)(F)F ZINC001324867866 869698846 /nfs/dbraw/zinc/69/88/46/869698846.db2.gz NHQOSWKRXVGMBM-UHFFFAOYSA-N 2 0 354.417 0.643 10 0 FCAERP C[NH+]1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)[C@@H]1c1ccc(F)cc1 ZINC001325494015 869913237 /nfs/dbraw/zinc/91/32/37/869913237.db2.gz IXYWHHUBMHEKDG-RYRKJORJSA-N 2 0 350.438 0.937 10 0 FCAERP C[C@@H](O)CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001325794231 870036097 /nfs/dbraw/zinc/03/60/97/870036097.db2.gz KFUIWWDWOZZURU-JFIYKMOQSA-N 2 0 354.539 0.658 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001326559472 870382255 /nfs/dbraw/zinc/38/22/55/870382255.db2.gz AKDGLBFLKRUQGZ-HNNXBMFYSA-N 2 0 354.495 0.014 10 0 FCAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001344114055 870750717 /nfs/dbraw/zinc/75/07/17/870750717.db2.gz MILIIYNRNWBYMJ-BRWVUGGUSA-N 2 0 350.507 0.824 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC001327472379 870893540 /nfs/dbraw/zinc/89/35/40/870893540.db2.gz QRFBJBGFDHCACQ-AWEZNQCLSA-N 2 0 353.511 0.746 10 0 FCAERP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC001327522449 870923148 /nfs/dbraw/zinc/92/31/48/870923148.db2.gz SCPFZSWMSMAHPN-CVEARBPZSA-N 2 0 354.495 0.204 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC001328248835 871312782 /nfs/dbraw/zinc/31/27/82/871312782.db2.gz ADDDRKGXSWWPKV-OAHLLOKOSA-N 2 0 351.495 0.418 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC001328248834 871313026 /nfs/dbraw/zinc/31/30/26/871313026.db2.gz ADDDRKGXSWWPKV-HNNXBMFYSA-N 2 0 351.495 0.418 10 0 FCAERP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001346192224 871697953 /nfs/dbraw/zinc/69/79/53/871697953.db2.gz BTYZBBWLMHGZPT-IXDOHACOSA-N 2 0 352.523 0.881 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001346448786 871847258 /nfs/dbraw/zinc/84/72/58/871847258.db2.gz AHAWTPOHJPTWLW-BRWVUGGUSA-N 2 0 352.523 0.881 10 0 FCAERP C[C@H](CNC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1)N1CC[NH+](C)CC1 ZINC001347088698 872152129 /nfs/dbraw/zinc/15/21/29/872152129.db2.gz GMTHYJHKPVILNL-VSZNYVQBSA-N 2 0 351.539 0.994 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)C(C)(F)F ZINC001329797983 872267402 /nfs/dbraw/zinc/26/74/02/872267402.db2.gz WLNHSQVOWNOOSN-UHFFFAOYSA-N 2 0 350.454 0.736 10 0 FCAERP C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)C1 ZINC001347790994 872495536 /nfs/dbraw/zinc/49/55/36/872495536.db2.gz YUANBNVVKMIIAZ-HZMVEIRTSA-N 2 0 350.507 0.918 10 0 FCAERP CC[C@H]1CN(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)CC[C@H]1[NH3+] ZINC001330518500 872681218 /nfs/dbraw/zinc/68/12/18/872681218.db2.gz CXRFPRXHQFDUTJ-GOEBONIOSA-N 2 0 353.511 0.746 10 0 FCAERP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCOCC2)CC1 ZINC001331850296 873273388 /nfs/dbraw/zinc/27/33/88/873273388.db2.gz NDQSTYSRWOFIAS-CQSZACIVSA-N 2 0 355.479 0.664 10 0 FCAERP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC001332001331 873328637 /nfs/dbraw/zinc/32/86/37/873328637.db2.gz POFKPYGTKYZKOL-WBVHZDCISA-N 2 0 350.507 0.872 10 0 FCAERP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCN1C ZINC001332056030 873351442 /nfs/dbraw/zinc/35/14/42/873351442.db2.gz ASTNTWPUVSJXNT-YESZJQIVSA-N 2 0 350.507 0.728 10 0 FCAERP CS(=O)(=O)CC1CCC([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC001332878849 873698428 /nfs/dbraw/zinc/69/84/28/873698428.db2.gz OBYSMVQANVLZRE-NRXISQOPSA-N 2 0 358.504 0.865 10 0 FCAERP C[NH+](C)CCOCCNC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC001332982776 873746423 /nfs/dbraw/zinc/74/64/23/873746423.db2.gz YGOGYGQOKWIISN-UHFFFAOYSA-N 2 0 354.495 0.204 10 0 FCAERP CC[C@H](C(=O)NCC1(NC(=O)[C@H](CC)[NH+](C)C)CCOCC1)[NH+](C)C ZINC000413462139 529605159 /nfs/dbraw/zinc/60/51/59/529605159.db2.gz WQYUYSYNGAWYMB-CABCVRRESA-N 2 0 356.511 0.448 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCc1cn[nH]c1 ZINC000290924181 214002563 /nfs/dbraw/zinc/00/25/63/214002563.db2.gz XWVWRDOITWORPU-UHFFFAOYSA-N 2 0 357.462 0.859 10 0 FCAERP C[C@H](CNC(=O)C[N@@H+]1CCC[C@H](CO)CC1)[NH+]1CCC[C@@H](CO)CC1 ZINC000930590205 674042634 /nfs/dbraw/zinc/04/26/34/674042634.db2.gz SAWYFFDYQMPIJV-FGTMMUONSA-N 2 0 355.523 0.680 10 0 FCAERP COC(=O)[C@H]1CN(C[C@H]2CCC[N@@H+]2C)[C@H](C)CN1C[C@H]1CCC[NH+]1C ZINC000930650353 674046061 /nfs/dbraw/zinc/04/60/61/674046061.db2.gz MMSGSRHKJDQAEY-BRSBDYLESA-N 2 0 352.523 0.723 10 0 FCAERP C[C@@H](CNC(=O)C[N@@H+]1C[C@H](C)C[C@H](CO)C1)[NH+]1C[C@@H](C)C[C@H](CO)C1 ZINC000930747625 674055221 /nfs/dbraw/zinc/05/52/21/674055221.db2.gz DWLICWMGWVTVPV-FPSMNIFISA-N 2 0 355.523 0.392 10 0 FCAERP C[C@@H](NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)[C@H](C)N1CCOCC1 ZINC000332861647 215215595 /nfs/dbraw/zinc/21/55/95/215215595.db2.gz QCQUJKZLCNSOPL-YYIAUSFCSA-N 2 0 354.495 0.600 10 0 FCAERP CN(C(=O)C(=O)NCC[NH+](C)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000284955067 213255519 /nfs/dbraw/zinc/25/55/19/213255519.db2.gz JWBJKIIMFFVYNO-GOSISDBHSA-N 2 0 358.486 0.930 10 0 FCAERP C[C@@H](CNC(=O)CN1CC[C@@H]([NH+](C)C)[C@H]1C)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931038906 674088881 /nfs/dbraw/zinc/08/88/81/674088881.db2.gz OQHBJMCYDBOCLY-TZNCUMHOSA-N 2 0 353.555 0.540 10 0 FCAERP C[C@H](CNC(=O)C[N@@H+]1C[C@H](C)[C@](C)(CO)C1)[NH+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000931065363 674090561 /nfs/dbraw/zinc/09/05/61/674090561.db2.gz HWFCHCHALDXCEA-MQOOWTBDSA-N 2 0 355.523 0.392 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[N@H+](C)C1CC1 ZINC000284284016 213103463 /nfs/dbraw/zinc/10/34/63/213103463.db2.gz ATHSFMHGQLAWFK-RDJZCZTQSA-N 2 0 360.502 0.874 10 0 FCAERP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCC[C@@H](C(N)=O)C3)C2)[nH+]1 ZINC000246157464 209382033 /nfs/dbraw/zinc/38/20/33/209382033.db2.gz QMTCKVWWYMMOGS-JKSUJKDBSA-N 2 0 359.474 0.848 10 0 FCAERP C[N@@H+]1C[C@@]2(C)CN(CCOc3ccc(S(N)(=O)=O)cc3)C[C@@]2(C)C1 ZINC000931304504 674108070 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360.458 0.498 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414769691 245322668 /nfs/dbraw/zinc/32/26/68/245322668.db2.gz KMGUZUUFXDGECW-QGZVFWFLSA-N 2 0 360.458 0.798 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414889582 245330427 /nfs/dbraw/zinc/33/04/27/245330427.db2.gz YOBKGNRBVWCLOB-KRWDZBQOSA-N 2 0 360.458 0.498 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)COC1CC[NH+](C)CC1 ZINC000931516455 674118304 /nfs/dbraw/zinc/11/83/04/674118304.db2.gz UCJHPTIMVQUJKT-INIZCTEOSA-N 2 0 354.495 0.156 10 0 FCAERP C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)N3CC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000415284630 245376162 /nfs/dbraw/zinc/37/61/62/245376162.db2.gz PVFTVGPFPSDTCY-GASCZTMLSA-N 2 0 360.458 0.666 10 0 FCAERP O=C1C[C@@]2(CC[NH+](CCCCCC[N@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000375926240 217335985 /nfs/dbraw/zinc/33/59/85/217335985.db2.gz FAJOQKWXQQDYCL-PMACEKPBSA-N 2 0 362.518 0.971 10 0 FCAERP 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ZINC000419916894 246368407 /nfs/dbraw/zinc/36/84/07/246368407.db2.gz FJEUIWGDBWHXNA-CRAIPNDOSA-N 2 0 374.485 0.514 10 0 FCAERP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419916898 246368714 /nfs/dbraw/zinc/36/87/14/246368714.db2.gz FJEUIWGDBWHXNA-QAPCUYQASA-N 2 0 374.485 0.514 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC000419933815 246376471 /nfs/dbraw/zinc/37/64/71/246376471.db2.gz FQUIKDRMMCWWKA-HZPDHXFCSA-N 2 0 350.438 0.803 10 0 FCAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000419936681 246377103 /nfs/dbraw/zinc/37/71/03/246377103.db2.gz UQKOOTKSKQKUIP-SJLPKXTDSA-N 2 0 358.486 0.993 10 0 FCAERP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000420145640 246493574 /nfs/dbraw/zinc/49/35/74/246493574.db2.gz OKHRKPQFMHXNRF-AWEZNQCLSA-N 2 0 363.462 0.373 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000423086803 246961657 /nfs/dbraw/zinc/96/16/57/246961657.db2.gz OEOAQECDQBHDKZ-NVXWUHKLSA-N 2 0 350.507 0.764 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@@]1(C)C[NH3+] ZINC000423548472 247047991 /nfs/dbraw/zinc/04/79/91/247047991.db2.gz DFABBUOBRJUHHW-MXHNKVEKSA-N 2 0 362.518 0.905 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423438608 247027592 /nfs/dbraw/zinc/02/75/92/247027592.db2.gz HBOJGHPNDRRZKN-GPMSIDNRSA-N 2 0 368.522 0.389 10 0 FCAERP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423491164 247037544 /nfs/dbraw/zinc/03/75/44/247037544.db2.gz YQPKVKOGTPIIAA-IYBDPMFKSA-N 2 0 366.506 0.299 10 0 FCAERP O=C(C[N@@H+]1CCC[C@H]1CN1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000441412114 248251656 /nfs/dbraw/zinc/25/16/56/248251656.db2.gz VQOBTDUBULFFIE-SFHVURJKSA-N 2 0 350.507 0.526 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1 ZINC000442238380 248279157 /nfs/dbraw/zinc/27/91/57/248279157.db2.gz ZQRJXBBKBXMPTG-UHFFFAOYSA-N 2 0 353.511 0.698 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)CN2CC[NH+](CC)CC2)[C@H](C)C1 ZINC000469901450 250011920 /nfs/dbraw/zinc/01/19/20/250011920.db2.gz ZPGKDNDTGRDTHE-MSOLQXFVSA-N 2 0 354.539 0.877 10 0 FCAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000481745482 250351531 /nfs/dbraw/zinc/35/15/31/250351531.db2.gz SGZKZYUFEAEAPH-BFYDXBDKSA-N 2 0 350.507 0.918 10 0 FCAERP C[N@H+](CCNS(C)(=O)=O)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000107304140 208239290 /nfs/dbraw/zinc/23/92/90/208239290.db2.gz AWEGBIUYPJCQJB-GOSISDBHSA-N 2 0 369.531 0.913 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)CC1 ZINC000177250968 209019648 /nfs/dbraw/zinc/01/96/48/209019648.db2.gz TVRHZHSOXJSWQS-WMZOPIPTSA-N 2 0 352.523 0.628 10 0 FCAERP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1=O ZINC000180124779 209090201 /nfs/dbraw/zinc/09/02/01/209090201.db2.gz ACFYTKFJWPOGNS-AOIWGVFYSA-N 2 0 358.486 0.958 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410498363 230103728 /nfs/dbraw/zinc/10/37/28/230103728.db2.gz OANNWVZACZXHIR-AEFFLSMTSA-N 2 0 362.518 0.872 10 0 FCAERP CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000310177345 488895151 /nfs/dbraw/zinc/89/51/51/488895151.db2.gz VMTZNMKVLRBVAI-SJORKVTESA-N 2 0 353.488 0.511 10 0 FCAERP O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C(=O)N1CCC[NH2+]CC1 ZINC000312938901 488895783 /nfs/dbraw/zinc/89/57/83/488895783.db2.gz FYIMFURHORYYDU-GUDVDZBRSA-N 2 0 370.497 0.835 10 0 FCAERP CCC1(CNC(=O)C(=O)NC2C[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000562828317 491194202 /nfs/dbraw/zinc/19/42/02/491194202.db2.gz HOUXOINOPUBDHR-UHFFFAOYSA-N 2 0 358.486 0.883 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCc1nc(C)no1 ZINC000073980635 488387189 /nfs/dbraw/zinc/38/71/89/488387189.db2.gz DDGOFNLSPXYJBE-OAHLLOKOSA-N 2 0 352.483 0.978 10 0 FCAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000074167385 488388780 /nfs/dbraw/zinc/38/87/80/488388780.db2.gz RDGACAYNEAQQFR-ZWKOTPCHSA-N 2 0 369.554 0.670 10 0 FCAERP O[C@H](CN1CCOCC1)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182975181 488391234 /nfs/dbraw/zinc/39/12/34/488391234.db2.gz OUQPJBGRTYUKDY-IBGZPJMESA-N 2 0 355.523 0.504 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(C2)CCOCC3)C1 ZINC000076177221 488402020 /nfs/dbraw/zinc/40/20/20/488402020.db2.gz BYPZQRLSTPAXPR-QGZVFWFLSA-N 2 0 353.507 0.962 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000192668083 488423634 /nfs/dbraw/zinc/42/36/34/488423634.db2.gz PKKCQOUSRQNASO-OAHLLOKOSA-N 2 0 373.523 0.013 10 0 FCAERP CC[NH+]1CCN(CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000079798054 488431533 /nfs/dbraw/zinc/43/15/33/488431533.db2.gz JSXHUMYYYSNPKB-UHFFFAOYSA-N 2 0 373.545 0.952 10 0 FCAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000246520063 488473583 /nfs/dbraw/zinc/47/35/83/488473583.db2.gz UTWIJHUZTKPURW-ZIAGYGMSSA-N 2 0 350.467 0.228 10 0 FCAERP C[C@H](O)CN1CC[N@H+](CCCCN2CC[NH+](C[C@H](C)O)[C@@H](C)C2)C[C@@H]1C ZINC000246985115 488479674 /nfs/dbraw/zinc/47/96/74/488479674.db2.gz MDIRQHQKRPPVDK-MUGJNUQGSA-N 2 0 370.582 0.540 10 0 FCAERP CC[NH+](CC)[C@H]1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000247261183 488483736 /nfs/dbraw/zinc/48/37/36/488483736.db2.gz FIKKIORJSAVYEU-ROUUACIJSA-N 2 0 354.539 0.876 10 0 FCAERP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)C[C@H](C)O1 ZINC000247652587 488488782 /nfs/dbraw/zinc/48/87/82/488488782.db2.gz XARNYQGSPSVHHT-SOLBZPMBSA-N 2 0 353.507 0.791 10 0 FCAERP CC[C@@H]1CN(C(=O)NC[C@H]2CCC[NH+]2CCOC)CC[N@@H+]1C[C@@H](C)O ZINC000248444207 488496233 /nfs/dbraw/zinc/49/62/33/488496233.db2.gz BJUMEACPSHUHNE-BRWVUGGUSA-N 2 0 356.511 0.584 10 0 FCAERP CC[C@H]1CN(C(=O)NC2CC[NH+](CCOC)CC2)CC[N@@H+]1C[C@H](C)O ZINC000248465390 488497328 /nfs/dbraw/zinc/49/73/28/488497328.db2.gz ZBWAXSFBICVWKB-RDJZCZTQSA-N 2 0 356.511 0.584 10 0 FCAERP C[C@@H]1C[C@@H](C(=O)N2CC[C@H]([NH+](C)C)C2)[C@@H](C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000249452888 488509905 /nfs/dbraw/zinc/50/99/05/488509905.db2.gz OXQWMKXXKXGFFZ-KFGODFMUSA-N 2 0 364.534 0.974 10 0 FCAERP CC[C@H](CO)[NH+]1CCN(C/C=C\CN2CC[NH+]([C@@H](CC)CO)CC2)CC1 ZINC000254969518 488522510 /nfs/dbraw/zinc/52/25/10/488522510.db2.gz IEODZPMKUOSGLW-GGJLBNBESA-N 2 0 368.566 0.320 10 0 FCAERP O=C(NC[C@H]1CCC[N@H+](CCn2nc3ccccn3c2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261905067 488541212 /nfs/dbraw/zinc/54/12/12/488541212.db2.gz SCRRLLYSKFUBSU-CVEARBPZSA-N 2 0 372.473 0.076 10 0 FCAERP [NH3+]C[C@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1 ZINC000261937996 488542708 /nfs/dbraw/zinc/54/27/08/488542708.db2.gz XCCHKJBXTRTHEE-UONOGXRCSA-N 2 0 362.371 0.820 10 0 FCAERP CN1CCC([NH+]2CCC(NC(=O)N3CCO[C@@H](C[NH+](C)C)C3)CC2)CC1 ZINC000117041344 488550315 /nfs/dbraw/zinc/55/03/15/488550315.db2.gz CZKKNHWKTVSGOY-SFHVURJKSA-N 2 0 367.538 0.517 10 0 FCAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000132565382 488654057 /nfs/dbraw/zinc/65/40/57/488654057.db2.gz DDWBUGVFLURFAH-SJORKVTESA-N 2 0 365.522 0.665 10 0 FCAERP CCC[C@H](C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC000152967092 488725482 /nfs/dbraw/zinc/72/54/82/488725482.db2.gz PJDJRNRETWSDDK-QZTJIDSGSA-N 2 0 354.539 0.970 10 0 FCAERP CC(C)C(=O)N1CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000153320838 488729742 /nfs/dbraw/zinc/72/97/42/488729742.db2.gz WYSAVXYENSTGKL-UHFFFAOYSA-N 2 0 355.527 0.768 10 0 FCAERP Cc1nc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000266796364 488730883 /nfs/dbraw/zinc/73/08/83/488730883.db2.gz TVLBMLWNEDVQDM-UHFFFAOYSA-N 2 0 359.434 0.785 10 0 FCAERP Cc1nccn1C[C@@H]1CCC[N@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000154560411 488744637 /nfs/dbraw/zinc/74/46/37/488744637.db2.gz MQAWKKNXWASUII-AWEZNQCLSA-N 2 0 371.445 0.103 10 0 FCAERP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCC(Cc2nccn2C)CC1 ZINC000155174652 488752249 /nfs/dbraw/zinc/75/22/49/488752249.db2.gz PLTYHUXSEHDITB-UKRRQHHQSA-N 2 0 368.503 0.366 10 0 FCAERP C[NH+](C)C[C@H]1CN(CCCCCN2CCO[C@H](C[NH+](C)C)C2)CCO1 ZINC000158003632 488774415 /nfs/dbraw/zinc/77/44/15/488774415.db2.gz ANSIZZHGGMRSEE-KDURUIRLSA-N 2 0 356.555 0.682 10 0 FCAERP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@](C)(O)C[NH+](C)C)CC1 ZINC000159150197 488783721 /nfs/dbraw/zinc/78/37/21/488783721.db2.gz UNJLZLAREJGVQE-INIZCTEOSA-N 2 0 373.523 0.082 10 0 FCAERP CC[C@@H](O)C[NH+]1CCN(C/C=C/CN2CC[NH+](C[C@@H](O)CC)CC2)CC1 ZINC000173459060 488842914 /nfs/dbraw/zinc/84/29/14/488842914.db2.gz GWNODHJRYNTVQW-VGIQHARFSA-N 2 0 368.566 0.320 10 0 FCAERP C[C@@H]1CN(C(C)(C)CNC(=O)N2CC[C@H](N3CCOCC3)C2)C[C@H](C)O1 ZINC000173794593 488845440 /nfs/dbraw/zinc/84/54/40/488845440.db2.gz ZXNZDIMXGNQEFS-BBWFWOEESA-N 2 0 368.522 0.990 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](CC(N)=O)C2)C1 ZINC000175262673 488853643 /nfs/dbraw/zinc/85/36/43/488853643.db2.gz CTTFUTKBPAMJJN-CVEARBPZSA-N 2 0 354.495 0.047 10 0 FCAERP C[C@@H]1CN([C@@H](CNC(=O)[C@@H]2CN(C)CCO2)c2cccs2)CCO1 ZINC000177974710 488859972 /nfs/dbraw/zinc/85/99/72/488859972.db2.gz ZPFLDGVVCGMPGQ-ILXRZTDVSA-N 2 0 353.488 0.957 10 0 FCAERP CC(=O)N[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000178595487 488860335 /nfs/dbraw/zinc/86/03/35/488860335.db2.gz UXYFGFHOQKKZER-ROUUACIJSA-N 2 0 354.495 0.204 10 0 FCAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000181695240 488863668 /nfs/dbraw/zinc/86/36/68/488863668.db2.gz QMZMVMOFCOPVSX-MRXNPFEDSA-N 2 0 370.538 0.831 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H](c2nc(=O)[nH][nH]2)C1)c1ccccc1 ZINC000289503030 489071801 /nfs/dbraw/zinc/07/18/01/489071801.db2.gz UJCYQHGVGPLDMT-JKSUJKDBSA-N 2 0 372.473 0.697 10 0 FCAERP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1=O ZINC000369925646 489292552 /nfs/dbraw/zinc/29/25/52/489292552.db2.gz FLPMPYMTWAHDJH-KRWDZBQOSA-N 2 0 350.507 0.731 10 0 FCAERP CC[NH+](CC)CCNC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000283703741 489292974 /nfs/dbraw/zinc/29/29/74/489292974.db2.gz IQNBOSKRRUAFBF-UHFFFAOYSA-N 2 0 352.454 0.962 10 0 FCAERP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000286469853 489394529 /nfs/dbraw/zinc/39/45/29/489394529.db2.gz KPLXXVLOYGHQHA-ZDUSSCGKSA-N 2 0 352.454 0.960 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC3CCC2(C[NH3+])CC3)C1 ZINC000563550485 491254165 /nfs/dbraw/zinc/25/41/65/491254165.db2.gz ZZJLUWFKDUBWQG-TVRKMHQQSA-N 2 0 352.523 0.663 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000363099961 489424206 /nfs/dbraw/zinc/42/42/06/489424206.db2.gz QNEOGSLAXACVLX-SFHVURJKSA-N 3 0 354.539 0.733 10 0 FCAERP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)ccn2)CC1 ZINC000363521441 489475384 /nfs/dbraw/zinc/47/53/84/489475384.db2.gz ZRYWLQLQUUFZKR-IRXDYDNUSA-N 2 0 359.474 0.426 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](CCC(N)=O)C2)C1 ZINC000363599777 489482552 /nfs/dbraw/zinc/48/25/52/489482552.db2.gz GQKQUKQNVBDXOM-SJORKVTESA-N 2 0 368.522 0.437 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423081427 489492028 /nfs/dbraw/zinc/49/20/28/489492028.db2.gz BRKCVMPCOCJBPJ-DLBZAZTESA-N 2 0 350.507 0.777 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C[C@@]1(C)C[NH3+] ZINC000423225354 489505115 /nfs/dbraw/zinc/50/51/15/489505115.db2.gz MLHUDWGNWTXFRL-GPMSIDNRSA-N 2 0 350.507 0.907 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000555615379 491259731 /nfs/dbraw/zinc/25/97/31/491259731.db2.gz UTACDHYTJGRCPR-OAHLLOKOSA-N 2 0 368.522 0.639 10 0 FCAERP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000372399084 489580953 /nfs/dbraw/zinc/58/09/53/489580953.db2.gz BHMQKMLTSFOMOD-BDXSIMOUSA-N 2 0 350.507 0.430 10 0 FCAERP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000372399086 489581008 /nfs/dbraw/zinc/58/10/08/489581008.db2.gz BHMQKMLTSFOMOD-MLHJIOFPSA-N 2 0 350.507 0.430 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCOC3(CCOCC3)C2)C1 ZINC000372748608 489632701 /nfs/dbraw/zinc/63/27/01/489632701.db2.gz RKWTZMUKIIFMNY-KRWDZBQOSA-N 2 0 369.506 0.341 10 0 FCAERP CC[C@H](COC)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000372817614 489639380 /nfs/dbraw/zinc/63/93/80/489639380.db2.gz IHWCFPDDJRRPPL-JKSUJKDBSA-N 2 0 363.506 0.848 10 0 FCAERP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCCC[NH+]2CCO)C[C@H](C)O1 ZINC000457573099 489650115 /nfs/dbraw/zinc/65/01/15/489650115.db2.gz JAWHYJKKNBDXQM-IXDOHACOSA-N 2 0 356.511 0.632 10 0 FCAERP C[NH+](C)C1CCN(CCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000372905096 489650541 /nfs/dbraw/zinc/65/05/41/489650541.db2.gz VPHWMLKNGAMNOT-FRQCXROJSA-N 2 0 352.523 0.661 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000417419199 489652008 /nfs/dbraw/zinc/65/20/08/489652008.db2.gz CPISIDYHUMDXQH-IAGOWNOFSA-N 2 0 361.490 0.928 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000417572266 489659193 /nfs/dbraw/zinc/65/91/93/489659193.db2.gz VBUJFUIIDULNKT-ABHNRTSZSA-N 2 0 367.538 0.613 10 0 FCAERP COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000373089481 489667018 /nfs/dbraw/zinc/66/70/18/489667018.db2.gz IKCBTMVUOQEYAU-CVEARBPZSA-N 2 0 355.479 0.487 10 0 FCAERP CC[NH+]1CCN(CC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000428984757 489668926 /nfs/dbraw/zinc/66/89/26/489668926.db2.gz STZRVXCJTJZVSR-OAQYLSRUSA-N 2 0 374.529 0.719 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)NCC1([NH+]2CCCC2)CCOCC1 ZINC000458335743 489677501 /nfs/dbraw/zinc/67/75/01/489677501.db2.gz LIPKQVOTBBJFGT-KRWDZBQOSA-N 2 0 368.522 0.777 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H]2Cc3cccc(O)c3C2)C1 ZINC000429316424 489681715 /nfs/dbraw/zinc/68/17/15/489681715.db2.gz LNQPNGYEXWKEMA-SJORKVTESA-N 2 0 361.486 0.922 10 0 FCAERP [NH3+][C@H](CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000418442344 489699239 /nfs/dbraw/zinc/69/92/39/489699239.db2.gz DOHQMCRNXIPXSD-QGZVFWFLSA-N 2 0 359.474 0.636 10 0 FCAERP [NH3+][C@@H](CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000418443970 489699249 /nfs/dbraw/zinc/69/92/49/489699249.db2.gz GEQHGSXLOVQNGU-SJORKVTESA-N 2 0 359.474 0.540 10 0 FCAERP CSC1(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC[NH+](C)CC1 ZINC000458780436 489702011 /nfs/dbraw/zinc/70/20/11/489702011.db2.gz CZJMNEXHGHKSRH-OAHLLOKOSA-N 2 0 358.552 0.960 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@@H+]1C ZINC000418609499 489709412 /nfs/dbraw/zinc/70/94/12/489709412.db2.gz FQPHSWJLXSKJDQ-MCIONIFRSA-N 2 0 365.444 0.947 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@H](C[NH3+])C1CCCC1)C(=O)NCC[NH+](C)C ZINC000418624856 489712878 /nfs/dbraw/zinc/71/28/78/489712878.db2.gz PHXHXPPDCUWIFI-JKSUJKDBSA-N 2 0 355.527 0.896 10 0 FCAERP O=C(NC[C@H]1CCCC[N@H+]1CCO)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418679267 489718145 /nfs/dbraw/zinc/71/81/45/489718145.db2.gz WVDQIRSWVIYOBC-DAWZGUTISA-N 2 0 367.538 0.349 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000418859850 489761379 /nfs/dbraw/zinc/76/13/79/489761379.db2.gz LGYRVUWWMBVBRL-QGZVFWFLSA-N 2 0 362.474 0.625 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000474447500 489763173 /nfs/dbraw/zinc/76/31/73/489763173.db2.gz BNJAWANXVUPNPU-UHFFFAOYSA-N 2 0 365.478 0.890 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@@H]1C[NH3+] ZINC000418880536 489772175 /nfs/dbraw/zinc/77/21/75/489772175.db2.gz VNYPTGSFYBVPAY-BPQIPLTHSA-N 2 0 360.502 0.719 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418879566 489772250 /nfs/dbraw/zinc/77/22/50/489772250.db2.gz TXPIZJSSKSKAHZ-SFHVURJKSA-N 2 0 358.486 0.702 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000418917185 489791459 /nfs/dbraw/zinc/79/14/59/489791459.db2.gz YGYGFYUXJHMPKF-RKTXRCNFSA-N 2 0 374.485 0.777 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000418939129 489796856 /nfs/dbraw/zinc/79/68/56/489796856.db2.gz QTFLIRMDZVRLOD-UKRRQHHQSA-N 2 0 354.495 0.454 10 0 FCAERP C[C@H]1CCN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@@H]1C[NH3+] ZINC000418942757 489798689 /nfs/dbraw/zinc/79/86/89/489798689.db2.gz AVSMDMJGBISFLY-BBRMVZONSA-N 2 0 364.465 0.947 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)ccc1F ZINC000418970088 489807132 /nfs/dbraw/zinc/80/71/32/489807132.db2.gz VZZHAFRLMKYFKU-SFHVURJKSA-N 2 0 350.438 0.701 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)ccc1F ZINC000418967601 489807438 /nfs/dbraw/zinc/80/74/38/489807438.db2.gz SCTWALKBHLYPMA-OAHLLOKOSA-N 2 0 350.438 0.762 10 0 FCAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC1CCC(C(N)=O)CC1 ZINC000476010995 489861375 /nfs/dbraw/zinc/86/13/75/489861375.db2.gz MJWNMEYRKHFRAF-UHFFFAOYSA-N 2 0 355.527 0.946 10 0 FCAERP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000419982136 489872490 /nfs/dbraw/zinc/87/24/90/489872490.db2.gz VAYPLSHESPFLPO-SJORKVTESA-N 2 0 367.538 0.105 10 0 FCAERP CN(C(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419994649 489875419 /nfs/dbraw/zinc/87/54/19/489875419.db2.gz HMYVHCSEJOHMDS-ROUUACIJSA-N 2 0 358.486 0.978 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000420038929 489889629 /nfs/dbraw/zinc/88/96/29/489889629.db2.gz NJLQKJSKXGBHSU-ZQDZILKHSA-N 2 0 354.495 0.595 10 0 FCAERP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000420058371 489897505 /nfs/dbraw/zinc/89/75/05/489897505.db2.gz JSMIIINGFDOWBM-GDBMZVCRSA-N 2 0 366.506 0.550 10 0 FCAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000420111739 489916307 /nfs/dbraw/zinc/91/63/07/489916307.db2.gz CXLOCEIZVMVGPY-YOEHRIQHSA-N 2 0 364.465 0.830 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420116285 489918152 /nfs/dbraw/zinc/91/81/52/489918152.db2.gz LAVVGYFKTQODRE-YOEHRIQHSA-N 2 0 364.465 0.830 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000477625019 489979201 /nfs/dbraw/zinc/97/92/01/489979201.db2.gz GMHQVJFBMWRFNS-QGZVFWFLSA-N 2 0 368.522 0.452 10 0 FCAERP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000477633961 489980065 /nfs/dbraw/zinc/98/00/65/489980065.db2.gz DZKIYZYVSGQXRX-QZTJIDSGSA-N 2 0 366.554 0.044 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+](CCOC)CC2)[C@H](C)C1 ZINC000477645737 489981189 /nfs/dbraw/zinc/98/11/89/489981189.db2.gz NULKFFBEGCEWEM-WBVHZDCISA-N 2 0 368.522 0.402 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000420896755 490029316 /nfs/dbraw/zinc/02/93/16/490029316.db2.gz BHLXXXGTISQOKR-KRWDZBQOSA-N 2 0 373.457 0.424 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](CCO)CC2)C1 ZINC000421043993 490045098 /nfs/dbraw/zinc/04/50/98/490045098.db2.gz RXIAMMSGRSCQFB-ZWKOTPCHSA-N 2 0 355.523 0.944 10 0 FCAERP COC1([C@H](C)[NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCOCC1 ZINC000421040071 490045604 /nfs/dbraw/zinc/04/56/04/490045604.db2.gz WLHFFCHVEPAVRT-IRXDYDNUSA-N 2 0 371.522 0.633 10 0 FCAERP C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC[N@@H+]1C ZINC000440958885 490050429 /nfs/dbraw/zinc/05/04/29/490050429.db2.gz XBCAVDASPUUAEH-DZGCQCFKSA-N 2 0 356.430 1.147 10 0 FCAERP C[NH+](C)C[C@H]1CCCN1C(=O)CSCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000464922033 490072582 /nfs/dbraw/zinc/07/25/82/490072582.db2.gz PIFPKQMNQLTNAV-IYBDPMFKSA-N 2 0 370.563 0.825 10 0 FCAERP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479210518 490074393 /nfs/dbraw/zinc/07/43/93/490074393.db2.gz XKKRONRTTKENJU-QGZVFWFLSA-N 2 0 364.465 0.927 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000564321945 491300798 /nfs/dbraw/zinc/30/07/98/491300798.db2.gz XUOPYYORUBQPJN-DOTOQJQBSA-N 2 0 364.465 0.519 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379674642 490125990 /nfs/dbraw/zinc/12/59/90/490125990.db2.gz UYQHDBITEJTUDL-ROUUACIJSA-N 2 0 367.515 0.949 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000465589104 490132142 /nfs/dbraw/zinc/13/21/42/490132142.db2.gz CZAMRBRYRLVXAW-KRWDZBQOSA-N 2 0 356.511 0.851 10 0 FCAERP [NH3+]CC1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000390932215 490140044 /nfs/dbraw/zinc/14/00/44/490140044.db2.gz GIPKYSDFZVOIKB-UHFFFAOYSA-N 2 0 360.502 0.676 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000465843464 490145996 /nfs/dbraw/zinc/14/59/96/490145996.db2.gz VTSAJIWGNWGTAH-DLBZAZTESA-N 2 0 363.506 0.585 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000465957517 490158996 /nfs/dbraw/zinc/15/89/96/490158996.db2.gz RMAPYXFCFLOARP-PMPSAXMXSA-N 2 0 353.511 0.698 10 0 FCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000520827202 490196938 /nfs/dbraw/zinc/19/69/38/490196938.db2.gz PJNCPLVJOKMRJI-INIZCTEOSA-N 2 0 354.495 0.204 10 0 FCAERP C[NH+](C)CCNC(=O)C1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000507405612 490216428 /nfs/dbraw/zinc/21/64/28/490216428.db2.gz QGOZHYXYLNYPIT-UHFFFAOYSA-N 2 0 371.489 0.595 10 0 FCAERP CC[N@@H+]1C[C@H](C)N(CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000498925813 490365473 /nfs/dbraw/zinc/36/54/73/490365473.db2.gz ACQOWRWYWWUZTR-SQNIBIBYSA-N 2 0 354.539 0.874 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](O)Cc1cnn(C)c1 ZINC000468755706 490444352 /nfs/dbraw/zinc/44/43/52/490444352.db2.gz AILFAYSZBSCAON-DLBZAZTESA-N 2 0 351.495 0.198 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000564805277 491327599 /nfs/dbraw/zinc/32/75/99/491327599.db2.gz ZIGNCKGUSAURPI-OAHLLOKOSA-N 2 0 354.495 0.062 10 0 FCAERP O=C(CN1C[C@H](O)C2(CC2)C1)NCc1ccccc1CN1CCOCC1 ZINC000548298523 490458365 /nfs/dbraw/zinc/45/83/65/490458365.db2.gz SMYWNOQAMKVICS-SFHVURJKSA-N 2 0 359.470 0.592 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000535260224 490470520 /nfs/dbraw/zinc/47/05/20/490470520.db2.gz GRQAPXRNLQCXMM-UHFFFAOYSA-N 2 0 371.441 0.611 10 0 FCAERP COc1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc(OC)c1OC ZINC000564847091 491330990 /nfs/dbraw/zinc/33/09/90/491330990.db2.gz XUXAQFCECSJBIZ-OAHLLOKOSA-N 2 0 353.463 0.410 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)Cc1ccc(F)cc1 ZINC000422964047 490506737 /nfs/dbraw/zinc/50/67/37/490506737.db2.gz KIIHGVPAPCKKJQ-UHFFFAOYSA-N 2 0 362.449 0.728 10 0 FCAERP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000423058565 490532017 /nfs/dbraw/zinc/53/20/17/490532017.db2.gz COEWAWGQPFUAIT-CVEARBPZSA-N 2 0 350.438 0.489 10 0 FCAERP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423058305 490532480 /nfs/dbraw/zinc/53/24/80/490532480.db2.gz JEJHZEOGNWVGSB-ROUUACIJSA-N 2 0 358.486 0.787 10 0 FCAERP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423062271 490533827 /nfs/dbraw/zinc/53/38/27/490533827.db2.gz STUDALUIJMEQAO-RYQLBKOJSA-N 2 0 358.486 0.915 10 0 FCAERP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000511966026 490644987 /nfs/dbraw/zinc/64/49/87/490644987.db2.gz VZSUNDTXKGTENQ-GTPINHCMSA-N 2 0 350.507 0.968 10 0 FCAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000572042890 491345107 /nfs/dbraw/zinc/34/51/07/491345107.db2.gz CYMNILFTGFBBQL-YJBOKZPZSA-N 2 0 362.518 0.920 10 0 FCAERP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000565038536 491346840 /nfs/dbraw/zinc/34/68/40/491346840.db2.gz GTHIYPBHUYSGJP-HOTGVXAUSA-N 2 0 363.412 0.915 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000557010251 491349202 /nfs/dbraw/zinc/34/92/02/491349202.db2.gz WDXIFVIJSCCWDR-HNNXBMFYSA-N 2 0 362.449 0.856 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528049106 490773267 /nfs/dbraw/zinc/77/32/67/490773267.db2.gz NJLNDTNLJYSTAC-CQSZACIVSA-N 2 0 355.508 0.624 10 0 FCAERP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000572236135 491357121 /nfs/dbraw/zinc/35/71/21/491357121.db2.gz YBSBGMIEIZUGSG-CQSZACIVSA-N 2 0 359.417 0.995 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000515409747 490824772 /nfs/dbraw/zinc/82/47/72/490824772.db2.gz GPJYOBFYHVFQEY-IAGOWNOFSA-N 2 0 368.522 0.404 10 0 FCAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529292669 490847950 /nfs/dbraw/zinc/84/79/50/490847950.db2.gz MXRSYHNMOAKBLX-INIZCTEOSA-N 2 0 366.510 0.213 10 0 FCAERP NC(=O)C[C@@H]1CCCC[NH+]1CC1(C[N@H+]2CCCC[C@H]2CC(N)=O)COC1 ZINC000542000716 490882031 /nfs/dbraw/zinc/88/20/31/490882031.db2.gz MBDNEONBYSJRPT-HOTGVXAUSA-N 2 0 366.506 0.463 10 0 FCAERP CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000530240729 490894955 /nfs/dbraw/zinc/89/49/55/490894955.db2.gz MTLFMZWTFASNKX-IRXDYDNUSA-N 2 0 359.536 0.749 10 0 FCAERP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000518049409 490928957 /nfs/dbraw/zinc/92/89/57/490928957.db2.gz YXOGMMLNZJSXNN-HRCADAONSA-N 2 0 366.506 0.692 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000518240146 490934034 /nfs/dbraw/zinc/93/40/34/490934034.db2.gz JKCFFMYXOIROTM-ALOPSCKCSA-N 3 0 367.538 0.070 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000569585122 491170798 /nfs/dbraw/zinc/17/07/98/491170798.db2.gz XUTXSPCFHKUJIP-CVEARBPZSA-N 2 0 356.511 0.450 10 0 FCAERP C[C@H]1C[C@H](NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000557393047 491372077 /nfs/dbraw/zinc/37/20/77/491372077.db2.gz BQXZYJGSYCHEML-LBDPXKHJSA-N 2 0 350.507 0.964 10 0 FCAERP C[C@H]1C[C@@H](NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000557393050 491372197 /nfs/dbraw/zinc/37/21/97/491372197.db2.gz BQXZYJGSYCHEML-SLTXQBBLSA-N 2 0 350.507 0.964 10 0 FCAERP CCO[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1n1cccn1 ZINC000565643385 491390272 /nfs/dbraw/zinc/39/02/72/491390272.db2.gz OMKLBWHCKMWAFZ-GVDBMIGSSA-N 2 0 366.510 0.736 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000572976176 491405193 /nfs/dbraw/zinc/40/51/93/491405193.db2.gz MHMFPUHNLYJWEV-SFHVURJKSA-N 2 0 369.510 0.045 10 0 FCAERP CN1CCC(CNC(=O)NC[C@H]2C[NH2+]CCO2)([NH+]2CCCCC2)CC1 ZINC000566057908 491414734 /nfs/dbraw/zinc/41/47/34/491414734.db2.gz FZBPRHXMINZKHV-MRXNPFEDSA-N 2 0 353.511 0.224 10 0 FCAERP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000573194346 491418184 /nfs/dbraw/zinc/41/81/84/491418184.db2.gz OIXJBIAJAZLGDT-GVDBMIGSSA-N 2 0 368.522 0.545 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2CCN(CC(F)(F)F)CC2)CC1 ZINC000566132097 491419167 /nfs/dbraw/zinc/41/91/67/491419167.db2.gz SSXFLONUZITVKR-OAHLLOKOSA-N 2 0 352.445 0.459 10 0 FCAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)[C@@H]1Oc1ccccc1 ZINC000566132405 491419373 /nfs/dbraw/zinc/41/93/73/491419373.db2.gz WVKAIOODWSNXKB-FFGOWVMKSA-N 2 0 363.502 0.809 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000573794296 491455160 /nfs/dbraw/zinc/45/51/60/491455160.db2.gz CHJSUEGJBGCDPM-AWEZNQCLSA-N 2 0 362.396 0.721 10 0 FCAERP CN1CCC(CNC(=O)N2CCO[C@@H](C[NH3+])C2)([NH+]2CCCCC2)CC1 ZINC000574141902 491476647 /nfs/dbraw/zinc/47/66/47/491476647.db2.gz SNJYCADHPYZRKL-INIZCTEOSA-N 2 0 353.511 0.306 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000559569301 491482124 /nfs/dbraw/zinc/48/21/24/491482124.db2.gz PXTSZVONCCCCDX-WMLDXEAASA-N 2 0 350.507 0.918 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574572549 491505810 /nfs/dbraw/zinc/50/58/10/491505810.db2.gz ZAFVKOVCVIIEDZ-QGZVFWFLSA-N 2 0 369.535 0.826 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000567480009 491508367 /nfs/dbraw/zinc/50/83/67/491508367.db2.gz VJNZXSWNMNESMX-UHFFFAOYSA-N 2 0 366.506 0.347 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000560023713 491516340 /nfs/dbraw/zinc/51/63/40/491516340.db2.gz HGYIYQSTOWMWAW-DLBZAZTESA-N 2 0 350.507 0.968 10 0 FCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000567875288 491536744 /nfs/dbraw/zinc/53/67/44/491536744.db2.gz AZHPHOFIKLWUNV-CRAIPNDOSA-N 2 0 358.486 0.871 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000668421154 493351363 /nfs/dbraw/zinc/35/13/63/493351363.db2.gz RTULOHIIXIACRE-QGZVFWFLSA-N 2 0 366.506 0.299 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000561120643 491575708 /nfs/dbraw/zinc/57/57/08/491575708.db2.gz HPEMDKOIQLCSBC-DLBZAZTESA-N 2 0 366.506 0.158 10 0 FCAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000561120763 491576408 /nfs/dbraw/zinc/57/64/08/491576408.db2.gz JUOWXALACFRQLG-IAGOWNOFSA-N 2 0 368.522 0.404 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCNC(=O)c2ccc(F)cc2)CC1 ZINC000576029884 491576988 /nfs/dbraw/zinc/57/69/88/491576988.db2.gz FECDGVRLXOJBSY-QGZVFWFLSA-N 2 0 352.454 0.144 10 0 FCAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000561122964 491577077 /nfs/dbraw/zinc/57/70/77/491577077.db2.gz XKBSRUCXUNVOIM-IKGGRYGDSA-N 2 0 366.506 0.299 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC000561156202 491579199 /nfs/dbraw/zinc/57/91/99/491579199.db2.gz RVIPJPOESBNFOU-KRWDZBQOSA-N 2 0 363.462 0.869 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(N3CCOCC3)CCCCC2)CC1 ZINC000576208669 491592824 /nfs/dbraw/zinc/59/28/24/491592824.db2.gz WFNADHADKNCXIE-SFHVURJKSA-N 2 0 354.539 0.219 10 0 FCAERP COCC[N@H+](C)C[C@@H](O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000576288953 491602711 /nfs/dbraw/zinc/60/27/11/491602711.db2.gz MWZUZUHDTKGPEJ-ZZJWQFMZSA-N 2 0 354.539 0.168 10 0 FCAERP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000561453339 491610075 /nfs/dbraw/zinc/61/00/75/491610075.db2.gz GTGRUQBFYOZATD-RCCFBDPRSA-N 2 0 374.485 0.385 10 0 FCAERP COc1cc([C@@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc(OC)c1OC ZINC000577490802 491626035 /nfs/dbraw/zinc/62/60/35/491626035.db2.gz MRXPUYYDWCWSQL-GDBMZVCRSA-N 2 0 367.490 0.971 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000576718634 491639160 /nfs/dbraw/zinc/63/91/60/491639160.db2.gz IGIFGQARGATKPE-LJQANCHMSA-N 2 0 368.522 0.357 10 0 FCAERP [NH3+]C1(CNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)CCC1 ZINC000577712415 491644565 /nfs/dbraw/zinc/64/45/65/491644565.db2.gz QPCLBEFVGFUFLK-DLBZAZTESA-N 2 0 371.485 0.766 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](C)C2)[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000668463471 493358879 /nfs/dbraw/zinc/35/88/79/493358879.db2.gz QULRTXBLYYSVLT-JCECYMMASA-N 2 0 364.534 0.785 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C2CC2)C1 ZINC000569443481 491661442 /nfs/dbraw/zinc/66/14/42/491661442.db2.gz KDCDJMQFNZNSJC-VYDXJSESSA-N 2 0 350.507 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491789876 /nfs/dbraw/zinc/78/98/76/491789876.db2.gz MUOIQLMEMQEBDV-UHFFFAOYSA-N 2 0 355.527 0.426 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)cn1 ZINC000683681351 493364606 /nfs/dbraw/zinc/36/46/06/493364606.db2.gz FJTFWCTUXSPRHY-UHFFFAOYSA-N 2 0 362.478 0.374 10 0 FCAERP COc1c[nH+]ccc1N1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000583969694 491855566 /nfs/dbraw/zinc/85/55/66/491855566.db2.gz LZRIQCRVLJXTHA-UHFFFAOYSA-N 2 0 373.501 0.955 10 0 FCAERP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@H](O)CN3CCOCC3)cc2)CC1 ZINC000584287319 491862325 /nfs/dbraw/zinc/86/23/25/491862325.db2.gz CFNZIPHYWDKHLP-SFHVURJKSA-N 2 0 363.502 0.942 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000611650161 491865531 /nfs/dbraw/zinc/86/55/31/491865531.db2.gz QGKVFGHEBLHYGE-HYVNUMGLSA-N 2 0 366.506 0.155 10 0 FCAERP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600762538 491880852 /nfs/dbraw/zinc/88/08/52/491880852.db2.gz CZRRPNFXIARTLH-GDBMZVCRSA-N 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/nfs/dbraw/zinc/30/96/94/492309694.db2.gz IGCBKTKAVCBCMN-HOTGVXAUSA-N 2 0 366.506 0.251 10 0 FCAERP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627474480 492313205 /nfs/dbraw/zinc/31/32/05/492313205.db2.gz PCBCOFAVYGZNDU-HNNXBMFYSA-N 2 0 368.522 0.450 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[NH2+]1 ZINC000627478836 492315555 /nfs/dbraw/zinc/31/55/55/492315555.db2.gz SHRYBNJPTANXCJ-CABCVRRESA-N 2 0 354.495 0.202 10 0 FCAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627487784 492319524 /nfs/dbraw/zinc/31/95/24/492319524.db2.gz KNHITMBFTAVEPR-SJORKVTESA-N 2 0 368.522 0.581 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000627500428 492324723 /nfs/dbraw/zinc/32/47/23/492324723.db2.gz AQUBOJXABDBPDH-SOLBZPMBSA-N 2 0 358.486 0.976 10 0 FCAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000647595180 492331381 /nfs/dbraw/zinc/33/13/81/492331381.db2.gz 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FCAERP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000647997617 492392728 /nfs/dbraw/zinc/39/27/28/492392728.db2.gz SEEBBVFKJSQNQZ-OFQRWUPVSA-N 2 0 359.392 0.918 10 0 FCAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000642914483 492403014 /nfs/dbraw/zinc/40/30/14/492403014.db2.gz SNUOOAQDGFHHBD-WMZOPIPTSA-N 2 0 358.486 0.978 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655632235 492467622 /nfs/dbraw/zinc/46/76/22/492467622.db2.gz HGYMKFXBMXFVAW-GASCZTMLSA-N 2 0 357.524 0.680 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CN(CC(F)F)C1 ZINC000622339056 492471278 /nfs/dbraw/zinc/47/12/78/492471278.db2.gz GQBYOVDVFVJBTQ-UHFFFAOYSA-N 2 0 367.444 0.907 10 0 FCAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000643470185 492471620 /nfs/dbraw/zinc/47/16/20/492471620.db2.gz GAPNDDYVPVXWFB-HNNXBMFYSA-N 2 0 350.507 0.968 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000628216419 492481296 /nfs/dbraw/zinc/48/12/96/492481296.db2.gz NFOUSHONZHQPFE-GVDBMIGSSA-N 2 0 350.507 0.777 10 0 FCAERP CCN(CC)C(=O)CN1CCCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655911328 492486459 /nfs/dbraw/zinc/48/64/59/492486459.db2.gz CWBABKGXNKJZDB-LBPRGKRZSA-N 2 0 367.416 0.462 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000649076898 492492163 /nfs/dbraw/zinc/49/21/63/492492163.db2.gz GICPPZVPRPIKKR-AEFFLSMTSA-N 2 0 373.501 0.872 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000649076900 492492358 /nfs/dbraw/zinc/49/23/58/492492358.db2.gz GICPPZVPRPIKKR-SJLPKXTDSA-N 2 0 373.501 0.872 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656042826 492523802 /nfs/dbraw/zinc/52/38/02/492523802.db2.gz VSDOWLRNFZIOMR-CAOSSQGBSA-N 2 0 354.495 0.188 10 0 FCAERP CC1(OCC(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C[NH2+]C1 ZINC000649296068 492524852 /nfs/dbraw/zinc/52/48/52/492524852.db2.gz WQZAYWJVYCRZIQ-UHFFFAOYSA-N 2 0 360.458 0.701 10 0 FCAERP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656083928 492544326 /nfs/dbraw/zinc/54/43/26/492544326.db2.gz PKYSCQXKBHCHGE-NCOADZHNSA-N 2 0 368.522 0.589 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656083925 492544591 /nfs/dbraw/zinc/54/45/91/492544591.db2.gz PKYSCQXKBHCHGE-MWDXBVQZSA-N 2 0 368.522 0.589 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000649415033 492552266 /nfs/dbraw/zinc/55/22/66/492552266.db2.gz FTWPEQHVBWNTBX-QRVBRYPASA-N 2 0 366.550 0.923 10 0 FCAERP O=C(CN1CC[NH2+]C[C@H]1C(F)F)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000649417588 492553514 /nfs/dbraw/zinc/55/35/14/492553514.db2.gz BCKWVGHXEQBROI-HNNXBMFYSA-N 2 0 374.476 0.677 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656334917 492598775 /nfs/dbraw/zinc/59/87/75/492598775.db2.gz UWPDWFPSTPDJDU-LBKYZSNHSA-N 2 0 366.506 0.199 10 0 FCAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)o1 ZINC000650304651 492629859 /nfs/dbraw/zinc/62/98/59/492629859.db2.gz VEAJUDPIULTMIW-UHFFFAOYSA-N 2 0 350.463 0.967 10 0 FCAERP COc1ccc(S(=O)(=O)N2CCC([NH2+]CCOCCC[NH3+])CC2)cc1 ZINC000629539688 492641792 /nfs/dbraw/zinc/64/17/92/492641792.db2.gz QWNVRBKFYQJGSB-UHFFFAOYSA-N 2 0 371.503 0.803 10 0 FCAERP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000629566355 492646284 /nfs/dbraw/zinc/64/62/84/492646284.db2.gz JIGYRQYOCFSUPR-HNNXBMFYSA-N 2 0 366.462 0.120 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000629792735 492673539 /nfs/dbraw/zinc/67/35/39/492673539.db2.gz ZSNPZRANSDIWIP-INIZCTEOSA-N 2 0 354.495 0.158 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[C@H](C)C1 ZINC000629800237 492678546 /nfs/dbraw/zinc/67/85/46/492678546.db2.gz YLVBEZRERACERD-RGCFKVTRSA-N 2 0 350.507 0.633 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000629809303 492682888 /nfs/dbraw/zinc/68/28/88/492682888.db2.gz PWQAQNVKMMSHKX-HZPDHXFCSA-N 2 0 366.506 0.299 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000629809260 492683049 /nfs/dbraw/zinc/68/30/49/492683049.db2.gz OQKCNYYKJWYGMY-HZPDHXFCSA-N 2 0 366.506 0.286 10 0 FCAERP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000629815970 492686287 /nfs/dbraw/zinc/68/62/87/492686287.db2.gz CKINMDGANZDOOJ-INIZCTEOSA-N 2 0 366.506 0.158 10 0 FCAERP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000629815821 492686404 /nfs/dbraw/zinc/68/64/04/492686404.db2.gz RFWCOPFKPBSTLO-JKSUJKDBSA-N 2 0 354.495 0.012 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1=O ZINC000650982327 492690730 /nfs/dbraw/zinc/69/07/30/492690730.db2.gz RJYURXNKVHKNOG-UHFFFAOYSA-N 2 0 353.511 0.522 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000657071710 492709161 /nfs/dbraw/zinc/70/91/61/492709161.db2.gz SMBQOYNWQVENFI-SOUVJXGZSA-N 2 0 350.529 0.202 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000657071601 492709311 /nfs/dbraw/zinc/70/93/11/492709311.db2.gz SIDVSDWAXBIXAB-ZDUSSCGKSA-N 2 0 356.492 0.336 10 0 FCAERP c1cc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657364658 492749261 /nfs/dbraw/zinc/74/92/61/492749261.db2.gz YIKBUHYMUXRAKY-KRWDZBQOSA-N 2 0 356.474 0.763 10 0 FCAERP O=C1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CN1CCN1CCOCC1 ZINC000657366065 492749556 /nfs/dbraw/zinc/74/95/56/492749556.db2.gz BTEBPSJXNGJDAL-MRXNPFEDSA-N 2 0 370.457 0.290 10 0 FCAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000625370076 492765580 /nfs/dbraw/zinc/76/55/80/492765580.db2.gz IPKAZUPMYDHHEG-SFHVURJKSA-N 2 0 371.485 0.863 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cccc(CN3CCCC3=O)c2)CC1 ZINC000644520882 492781386 /nfs/dbraw/zinc/78/13/86/492781386.db2.gz OJYARMCDINZZSR-LJQANCHMSA-N 2 0 360.502 0.507 10 0 FCAERP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000644646137 492796449 /nfs/dbraw/zinc/79/64/49/492796449.db2.gz PMXKDWGZJICIOW-MSOLQXFVSA-N 2 0 369.531 0.883 10 0 FCAERP CCC[NH+]1CCC(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000631856222 492864809 /nfs/dbraw/zinc/86/48/09/492864809.db2.gz FBZPCEPGGGKFFP-UHFFFAOYSA-N 2 0 360.568 0.665 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000631908595 492874858 /nfs/dbraw/zinc/87/48/58/492874858.db2.gz UHBUWYOMGHFQGB-IRXDYDNUSA-N 2 0 358.552 0.418 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000645173341 492875331 /nfs/dbraw/zinc/87/53/31/492875331.db2.gz BBDBMOKYJXBPFP-MRXNPFEDSA-N 2 0 361.490 0.880 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000631908596 492875648 /nfs/dbraw/zinc/87/56/48/492875648.db2.gz UHBUWYOMGHFQGB-SJORKVTESA-N 2 0 358.552 0.418 10 0 FCAERP C[C@H]1C(=O)N(C)CN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000645191269 492876325 /nfs/dbraw/zinc/87/63/25/492876325.db2.gz KUGGIQMEZATUNR-HNNXBMFYSA-N 2 0 360.462 0.423 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625746620 492877196 /nfs/dbraw/zinc/87/71/96/492877196.db2.gz HNIHPAACYRJRBG-UHFFFAOYSA-N 2 0 366.506 0.254 10 0 FCAERP C[NH+](C)CCOc1ccc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000631914119 492880277 /nfs/dbraw/zinc/88/02/77/492880277.db2.gz SYVGMKMFAJFGEQ-MRXNPFEDSA-N 2 0 357.476 0.035 10 0 FCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631914727 492880584 /nfs/dbraw/zinc/88/05/84/492880584.db2.gz WENOQXHXTVAOME-HYVNUMGLSA-N 2 0 353.488 0.730 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1C[NH3+] ZINC000652170972 492890695 /nfs/dbraw/zinc/89/06/95/492890695.db2.gz YFQJQIKZUQMNPK-MXASKKJJSA-N 2 0 354.495 0.369 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000631947227 492894580 /nfs/dbraw/zinc/89/45/80/492894580.db2.gz XNOZSDYEYLXFJK-RCCFBDPRSA-N 2 0 365.499 0.511 10 0 FCAERP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347543 492913750 /nfs/dbraw/zinc/91/37/50/492913750.db2.gz DHUJKGZCGLPLAD-JYYAWHABSA-N 2 0 366.506 0.330 10 0 FCAERP [NH3+]C[C@@]1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCCOC1 ZINC000638132455 492914135 /nfs/dbraw/zinc/91/41/35/492914135.db2.gz DQHZKGFBPSGISA-FQEVSTJZSA-N 2 0 360.502 0.676 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000645621409 492945547 /nfs/dbraw/zinc/94/55/47/492945547.db2.gz UXVXLGOLJGJVKS-RHSMWYFYSA-N 2 0 360.458 0.728 10 0 FCAERP CN(C(=O)NCCCc1ncn(C)n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645770583 492973306 /nfs/dbraw/zinc/97/33/06/492973306.db2.gz SIHRIFQEDAUEHD-INIZCTEOSA-N 2 0 363.510 0.558 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652668787 492983224 /nfs/dbraw/zinc/98/32/24/492983224.db2.gz MQVBHAQJPQGEJC-BRSBDYLESA-N 2 0 374.485 0.370 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)ccc1F ZINC000652671522 492984187 /nfs/dbraw/zinc/98/41/87/492984187.db2.gz FZGISAAHCHTQBX-UHFFFAOYSA-N 2 0 350.438 0.749 10 0 FCAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000652675057 492986098 /nfs/dbraw/zinc/98/60/98/492986098.db2.gz MNLRJAJVXNWHMY-QGZVFWFLSA-N 2 0 368.522 0.594 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C[NH3+] ZINC000652678219 492986696 /nfs/dbraw/zinc/98/66/96/492986696.db2.gz YANYOQSCBDIYRK-ARFHVFGLSA-N 2 0 354.495 0.045 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)c1ccc(F)cc1 ZINC000652682393 492989188 /nfs/dbraw/zinc/98/91/88/492989188.db2.gz JURDEUCFEOUCCE-OAHLLOKOSA-N 2 0 350.438 0.790 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652713362 492998011 /nfs/dbraw/zinc/99/80/11/492998011.db2.gz MBPAQMTXGNMSNK-KRWDZBQOSA-N 2 0 358.486 0.965 10 0 FCAERP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000652724582 493004483 /nfs/dbraw/zinc/00/44/83/493004483.db2.gz GMTDAVYYHDCGPS-UHFFFAOYSA-N 2 0 350.507 0.827 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C[C@H]1C[NH3+] ZINC000652728163 493006577 /nfs/dbraw/zinc/00/65/77/493006577.db2.gz WIBZTHXMJAPVHU-IAGOWNOFSA-N 2 0 368.522 0.387 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1=O ZINC000652734667 493011503 /nfs/dbraw/zinc/01/15/03/493011503.db2.gz SIKIIQRCWPFJBW-MRXNPFEDSA-N 2 0 350.507 0.873 10 0 FCAERP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000626802571 493021537 /nfs/dbraw/zinc/02/15/37/493021537.db2.gz YCXXQUGSBXPPAI-MRXNPFEDSA-N 2 0 358.442 0.804 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626817964 493025657 /nfs/dbraw/zinc/02/56/57/493025657.db2.gz WLTJGEDAUMJPDL-CJNGLKHVSA-N 2 0 360.458 0.906 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000626872314 493043264 /nfs/dbraw/zinc/04/32/64/493043264.db2.gz FRPAGERIZKLMHT-UHFFFAOYSA-N 2 0 350.463 0.690 10 0 FCAERP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NC[C@H]3COCC[NH2+]3)cccc21 ZINC000626882422 493049165 /nfs/dbraw/zinc/04/91/65/493049165.db2.gz KZXRDPZBSJSDNK-SWLSCSKDSA-N 2 0 362.430 0.115 10 0 FCAERP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000632702269 493067394 /nfs/dbraw/zinc/06/73/94/493067394.db2.gz KIIBWWSOBKJYQI-KRWDZBQOSA-N 2 0 360.502 0.936 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626964119 493071061 /nfs/dbraw/zinc/07/10/61/493071061.db2.gz LVAQAKFOSIZYFH-LZQZEXGQSA-N 2 0 365.522 0.570 10 0 FCAERP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC000653108687 493072062 /nfs/dbraw/zinc/07/20/62/493072062.db2.gz DRWCFAMRWCZQGU-JXFKEZNVSA-N 2 0 374.485 0.933 10 0 FCAERP [NH3+]CCCOCCNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000626971022 493072110 /nfs/dbraw/zinc/07/21/10/493072110.db2.gz YELJAFHCBCVPNH-UHFFFAOYSA-N 2 0 364.490 0.808 10 0 FCAERP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123951 493074764 /nfs/dbraw/zinc/07/47/64/493074764.db2.gz MJRSJPATHLOVTB-ICSRJNTNSA-N 2 0 358.486 0.156 10 0 FCAERP [NH3+]C1(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCOCC1 ZINC000627002307 493078691 /nfs/dbraw/zinc/07/86/91/493078691.db2.gz PSLPHKZYCXILOS-HOTGVXAUSA-N 2 0 354.495 0.561 10 0 FCAERP C[NH+](C)CCCOc1cnccc1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627038596 493083916 /nfs/dbraw/zinc/08/39/16/493083916.db2.gz KWSGTDXLFYHIQI-UHFFFAOYSA-N 2 0 365.478 0.719 10 0 FCAERP C[C@]1(CNC(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CCC[NH2+]C1 ZINC000627085826 493086512 /nfs/dbraw/zinc/08/65/12/493086512.db2.gz XDFQUNFLJBULAH-HKUYNNGSSA-N 2 0 361.490 0.971 10 0 FCAERP [NH3+]C1(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCOCC1 ZINC000627147921 493096626 /nfs/dbraw/zinc/09/66/26/493096626.db2.gz OMFGGSCXQULOPD-UHFFFAOYSA-N 2 0 354.495 0.638 10 0 FCAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627153911 493097146 /nfs/dbraw/zinc/09/71/46/493097146.db2.gz POUOZCFKTMHONK-CALCHBBNSA-N 2 0 367.538 0.694 10 0 FCAERP [NH3+]C1(CNC(=O)N2CCCN(Cc3cscn3)CC2)CCOCC1 ZINC000627153933 493097368 /nfs/dbraw/zinc/09/73/68/493097368.db2.gz PXSSWULJXKPPRX-UHFFFAOYSA-N 2 0 353.492 0.868 10 0 FCAERP [NH3+]C1(CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627162020 493098998 /nfs/dbraw/zinc/09/89/98/493098998.db2.gz LRNLFQJOICZFKR-IBGZPJMESA-N 2 0 362.474 0.431 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCO1 ZINC000658926869 493111854 /nfs/dbraw/zinc/11/18/54/493111854.db2.gz IADHHJJQGLDILQ-CVEARBPZSA-N 2 0 368.522 0.545 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000627237550 493115312 /nfs/dbraw/zinc/11/53/12/493115312.db2.gz OSXGLRVGSGOACT-DOTOQJQBSA-N 2 0 365.522 0.761 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000633075929 493115672 /nfs/dbraw/zinc/11/56/72/493115672.db2.gz MKWRVYLAYXWFOG-SJLPKXTDSA-N 2 0 358.486 0.774 10 0 FCAERP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCCCC[C@H]([NH3+])C3)C2)CC1 ZINC000633098233 493124287 /nfs/dbraw/zinc/12/42/87/493124287.db2.gz CBEXIEPAZGFMLQ-SJORKVTESA-N 2 0 350.507 0.907 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000633103387 493127023 /nfs/dbraw/zinc/12/70/23/493127023.db2.gz REIJUQYAMJFKSW-CVEARBPZSA-N 2 0 366.506 0.428 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CCO1 ZINC000633109091 493130185 /nfs/dbraw/zinc/13/01/85/493130185.db2.gz LBVWQQRZMRMGIH-HZPDHXFCSA-N 2 0 354.495 0.286 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000633118162 493133315 /nfs/dbraw/zinc/13/33/15/493133315.db2.gz NPNHCINSPWGJIX-XHSDSOJGSA-N 2 0 350.507 0.905 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000633118762 493133380 /nfs/dbraw/zinc/13/33/80/493133380.db2.gz SRHZMJZYPGISPZ-GOSISDBHSA-N 2 0 350.507 0.921 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)[NH+](C)C)c1 ZINC000627291779 493136089 /nfs/dbraw/zinc/13/60/89/493136089.db2.gz DPRKKWDMSPKMCB-QRTARXTBSA-N 2 0 362.474 0.671 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627293702 493137879 /nfs/dbraw/zinc/13/78/79/493137879.db2.gz ZUGMPRQHYVRVSJ-IRXDYDNUSA-N 2 0 358.486 0.676 10 0 FCAERP C[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297314 493139696 /nfs/dbraw/zinc/13/96/96/493139696.db2.gz HJFVQGIZHYEHKB-CABCVRRESA-N 2 0 354.495 0.237 10 0 FCAERP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)c1ccco1 ZINC000627302957 493142558 /nfs/dbraw/zinc/14/25/58/493142558.db2.gz BXWFEWGVYTWTNE-CQSZACIVSA-N 2 0 366.462 0.403 10 0 FCAERP C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659080989 493144346 /nfs/dbraw/zinc/14/43/46/493144346.db2.gz UCCGOUBQVZWDQI-QGZVFWFLSA-N 2 0 360.458 0.744 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000627311850 493145555 /nfs/dbraw/zinc/14/55/55/493145555.db2.gz JEEAVEDSMURKBO-OAHLLOKOSA-N 2 0 356.511 0.308 10 0 FCAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311574 493145804 /nfs/dbraw/zinc/14/58/04/493145804.db2.gz CALOIFNAUDXOPH-RGCFKVTRSA-N 2 0 350.507 0.681 10 0 FCAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627320336 493151173 /nfs/dbraw/zinc/15/11/73/493151173.db2.gz ZBVDOVHKHALRQV-LZQZEXGQSA-N 2 0 350.507 0.825 10 0 FCAERP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)c2)CC1 ZINC000659099641 493152738 /nfs/dbraw/zinc/15/27/38/493152738.db2.gz KCGOZJIJFWJCNH-UHFFFAOYSA-N 2 0 371.485 0.322 10 0 FCAERP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000659106066 493155933 /nfs/dbraw/zinc/15/59/33/493155933.db2.gz GBCOAVIPHRCTIO-UHFFFAOYSA-N 2 0 373.457 0.384 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+]1CCC(C)CC1 ZINC000627332331 493157083 /nfs/dbraw/zinc/15/70/83/493157083.db2.gz XDEUTAKPKYYVKW-ZYSHUDEJSA-N 2 0 350.507 0.681 10 0 FCAERP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000659109670 493157595 /nfs/dbraw/zinc/15/75/95/493157595.db2.gz LELIHZGHGBDJFL-HZPDHXFCSA-N 2 0 366.437 0.853 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000627338870 493161202 /nfs/dbraw/zinc/16/12/02/493161202.db2.gz SFRKPSZKSSRSOV-DLBZAZTESA-N 2 0 362.474 0.500 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[NH2+]1 ZINC000627338758 493161276 /nfs/dbraw/zinc/16/12/76/493161276.db2.gz POJIORKRMUFBRL-GDBMZVCRSA-N 2 0 362.474 0.500 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000627338850 493161375 /nfs/dbraw/zinc/16/13/75/493161375.db2.gz RYUZGVASEQGPRJ-DLBZAZTESA-N 2 0 362.474 0.500 10 0 FCAERP CC1(C)C(=O)N[C@@H]1C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000653707346 493171518 /nfs/dbraw/zinc/17/15/18/493171518.db2.gz WEIAYWQQRUHYQJ-GOSISDBHSA-N 2 0 362.518 0.966 10 0 FCAERP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647203133 493177949 /nfs/dbraw/zinc/17/79/49/493177949.db2.gz LRSGMHWNSFOPCC-UHFFFAOYSA-N 2 0 372.510 0.979 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000627382267 493190860 /nfs/dbraw/zinc/19/08/60/493190860.db2.gz SIVVQXMSSCJGPF-UHFFFAOYSA-N 2 0 368.522 0.594 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[NH2+]1 ZINC000627385682 493192996 /nfs/dbraw/zinc/19/29/96/493192996.db2.gz RXBOWEIIODROLK-HUUCEWRRSA-N 2 0 368.547 0.721 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000659354128 493197252 /nfs/dbraw/zinc/19/72/52/493197252.db2.gz UOQVAUDHQBZPML-HOTGVXAUSA-N 2 0 358.446 0.511 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000672542985 493199860 /nfs/dbraw/zinc/19/98/60/493199860.db2.gz GICLHDVSPWHBDL-UHFFFAOYSA-N 2 0 373.501 0.968 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000627410904 493207277 /nfs/dbraw/zinc/20/72/77/493207277.db2.gz RMEBGIQADCAVQE-OAHLLOKOSA-N 2 0 354.495 0.189 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000627416823 493208951 /nfs/dbraw/zinc/20/89/51/493208951.db2.gz IQUGLRULMREPHK-CVEARBPZSA-N 2 0 366.506 0.347 10 0 FCAERP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000627417606 493209121 /nfs/dbraw/zinc/20/91/21/493209121.db2.gz CBMJBJUTCFZGEN-MRXNPFEDSA-N 2 0 368.522 0.724 10 0 FCAERP O=C(NC[C@H]1C[NH2+]CCO1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659555336 493211534 /nfs/dbraw/zinc/21/15/34/493211534.db2.gz PUJUNXISRMVLSJ-GOSISDBHSA-N 2 0 373.501 0.629 10 0 FCAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000659586600 493216813 /nfs/dbraw/zinc/21/68/13/493216813.db2.gz HRJNSCLYZDQWNM-BZSNNMDCSA-N 2 0 362.474 0.900 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000659588715 493217877 /nfs/dbraw/zinc/21/78/77/493217877.db2.gz TZSCAXPVMJEFTF-NJAFHUGGSA-N 2 0 361.490 0.425 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666765522 493223590 /nfs/dbraw/zinc/22/35/90/493223590.db2.gz BNEOFYVYAPNRFL-SFHVURJKSA-N 2 0 373.501 0.712 10 0 FCAERP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[NH+](C)C)c1 ZINC000659674190 493244745 /nfs/dbraw/zinc/24/47/45/493244745.db2.gz LFGDMYHDZITVEP-BZUAXINKSA-N 2 0 366.437 0.312 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000666980486 493245071 /nfs/dbraw/zinc/24/50/71/493245071.db2.gz ZFRZQWBBTZYRPM-ROUUACIJSA-N 2 0 368.522 0.992 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000659679096 493247024 /nfs/dbraw/zinc/24/70/24/493247024.db2.gz RMIYRSAYVQMCDC-DJIMGWMZSA-N 2 0 350.507 0.824 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000659683049 493249791 /nfs/dbraw/zinc/24/97/91/493249791.db2.gz SAHZTXQHGQZBEP-ZJIFWQFVSA-N 2 0 372.485 0.137 10 0 FCAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659682662 493250244 /nfs/dbraw/zinc/25/02/44/493250244.db2.gz NAJSQKCDDSGGJZ-RKTXRCNFSA-N 2 0 362.449 0.836 10 0 FCAERP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659687736 493253332 /nfs/dbraw/zinc/25/33/32/493253332.db2.gz ZGSLQXLJCVBIBP-UHFFFAOYSA-N 2 0 360.458 0.193 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[C@H]1F ZINC000659687326 493253577 /nfs/dbraw/zinc/25/35/77/493253577.db2.gz SZIBLTLTVBEKMN-GVDBMIGSSA-N 2 0 362.449 0.665 10 0 FCAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659689406 493254497 /nfs/dbraw/zinc/25/44/97/493254497.db2.gz CJQAWJRWWUMRGS-ZUIJCZDSSA-N 2 0 371.485 0.673 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC000659691208 493256364 /nfs/dbraw/zinc/25/63/64/493256364.db2.gz VDTJTDDBZVOJSW-GVDBMIGSSA-N 2 0 362.449 0.665 10 0 FCAERP CC[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[N@@H+]1CCc2ccccc2C1 ZINC000659696975 493258913 /nfs/dbraw/zinc/25/89/13/493258913.db2.gz FBEIDXAVUPAQIB-GFBDMGBSSA-N 2 0 370.497 0.889 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659699132 493260215 /nfs/dbraw/zinc/26/02/15/493260215.db2.gz QJEPZVLTMXMCIM-KRWDZBQOSA-N 2 0 368.522 0.309 10 0 FCAERP C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)C1=CC[N@H+](C)CC1 ZINC000659701396 493261203 /nfs/dbraw/zinc/26/12/03/493261203.db2.gz DLHICCIXRMLXOU-CRAIPNDOSA-N 2 0 362.518 0.991 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000659704609 493263626 /nfs/dbraw/zinc/26/36/26/493263626.db2.gz MMIZSSYPARQMHG-QGZVFWFLSA-N 2 0 361.490 0.904 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000659704097 493263644 /nfs/dbraw/zinc/26/36/44/493263644.db2.gz KKYPFDGCNLAQHK-OAHLLOKOSA-N 2 0 354.495 0.237 10 0 FCAERP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000659713192 493267620 /nfs/dbraw/zinc/26/76/20/493267620.db2.gz CNYGXGUAIKLQQJ-GOSISDBHSA-N 2 0 373.501 0.668 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000659724603 493273248 /nfs/dbraw/zinc/27/32/48/493273248.db2.gz RZYYRGNEDUNIEZ-QAPCUYQASA-N 2 0 354.495 0.062 10 0 FCAERP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659730965 493277690 /nfs/dbraw/zinc/27/76/90/493277690.db2.gz WBXSKHXRSXGSTJ-UHFFFAOYSA-N 2 0 371.485 0.278 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659740684 493281086 /nfs/dbraw/zinc/28/10/86/493281086.db2.gz FDJSSGYJTMRKFY-DLBZAZTESA-N 3 0 367.538 0.103 10 0 FCAERP CCC(CC)[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[NH+]1CCCC1 ZINC000659742419 493282162 /nfs/dbraw/zinc/28/21/62/493282162.db2.gz GQBBIHYAQZEYPJ-NLGTXKQRSA-N 2 0 350.507 0.871 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000659743461 493282475 /nfs/dbraw/zinc/28/24/75/493282475.db2.gz HQSKXBBUMQNVAE-UHFFFAOYSA-N 2 0 356.470 0.589 10 0 FCAERP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659744218 493282693 /nfs/dbraw/zinc/28/26/93/493282693.db2.gz SAORZFWDJPKMOT-RIGHFQGKSA-N 2 0 362.518 0.968 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000673123690 493292791 /nfs/dbraw/zinc/29/27/91/493292791.db2.gz KGNUWDHNABGNNZ-AKBNIOSXSA-N 2 0 350.507 0.917 10 0 FCAERP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000673123191 493293084 /nfs/dbraw/zinc/29/30/84/493293084.db2.gz OHJPJEDMXXVUHY-ALOPSCKCSA-N 2 0 350.507 0.918 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000667812642 493303056 /nfs/dbraw/zinc/30/30/56/493303056.db2.gz SHYWLPXUIMORTR-HUUCEWRRSA-N 2 0 363.510 0.085 10 0 FCAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668504166 493366721 /nfs/dbraw/zinc/36/67/21/493366721.db2.gz RHKNDSDYYIIAEQ-DOTOQJQBSA-N 2 0 366.506 0.035 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000673869654 493369343 /nfs/dbraw/zinc/36/93/43/493369343.db2.gz BMEVQDLMTYJULC-MRXNPFEDSA-N 2 0 352.483 0.923 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000660652940 493369613 /nfs/dbraw/zinc/36/96/13/493369613.db2.gz MVWVGVFJOWWUTG-ICSRJNTNSA-N 2 0 366.550 0.877 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](CCOC)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000668633204 493387072 /nfs/dbraw/zinc/38/70/72/493387072.db2.gz HOZYULQESYVGIG-INIZCTEOSA-N 2 0 354.495 0.156 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000668657618 493391967 /nfs/dbraw/zinc/39/19/67/493391967.db2.gz VHDSGVANLPURKU-UHFFFAOYSA-N 2 0 366.506 0.204 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC000684149628 493396855 /nfs/dbraw/zinc/39/68/55/493396855.db2.gz NVGWMKATVDBPIE-HNNXBMFYSA-N 2 0 364.494 0.620 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000668786875 493410501 /nfs/dbraw/zinc/41/05/01/493410501.db2.gz JHEAZRGTAQGLNQ-IAGOWNOFSA-N 2 0 368.522 0.450 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000668786868 493410623 /nfs/dbraw/zinc/41/06/23/493410623.db2.gz JFUPNCIDEXUDCF-HUUCEWRRSA-N 2 0 354.495 0.202 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668795055 493412815 /nfs/dbraw/zinc/41/28/15/493412815.db2.gz VEBGRMJZKLPDLY-SJORKVTESA-N 2 0 368.522 0.546 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCO1 ZINC000668826513 493416263 /nfs/dbraw/zinc/41/62/63/493416263.db2.gz DSXKLTLNKSKNDO-DLBZAZTESA-N 2 0 366.506 0.156 10 0 FCAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668933538 493440267 /nfs/dbraw/zinc/44/02/67/493440267.db2.gz HJIGUJBIPARCCP-NVXWUHKLSA-N 2 0 366.506 0.035 10 0 FCAERP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290837 493503644 /nfs/dbraw/zinc/50/36/44/493503644.db2.gz LTJSDRYIAILTDP-ZBFHGGJFSA-N 2 0 350.507 0.824 10 0 FCAERP [NH3+][C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1F ZINC000662325658 493507024 /nfs/dbraw/zinc/50/70/24/493507024.db2.gz OVIQFHJENROTSU-HZPDHXFCSA-N 2 0 356.486 0.509 10 0 FCAERP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662615287 493527876 /nfs/dbraw/zinc/52/78/76/493527876.db2.gz YUUSLSLZNUCPGN-QGZVFWFLSA-N 2 0 366.506 0.252 10 0 FCAERP CC[NH+]1CCN(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000676191360 493529329 /nfs/dbraw/zinc/52/93/29/493529329.db2.gz NBMGMEQGMMNXTA-QZTJIDSGSA-N 2 0 352.523 0.508 10 0 FCAERP C[NH+](C)CC[C@H](N)C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662887676 493549708 /nfs/dbraw/zinc/54/97/08/493549708.db2.gz NCHMBWRKWOWQJG-SFHVURJKSA-N 2 0 359.518 0.736 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC[C@H]1F ZINC000662925181 493554343 /nfs/dbraw/zinc/55/43/43/493554343.db2.gz OLZNRADWQICAMQ-IAGOWNOFSA-N 2 0 368.497 0.999 10 0 FCAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662929531 493554871 /nfs/dbraw/zinc/55/48/71/493554871.db2.gz GSBFRDOFRDQUDK-HZPDHXFCSA-N 2 0 368.428 0.614 10 0 FCAERP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000662928237 493554971 /nfs/dbraw/zinc/55/49/71/493554971.db2.gz NGMHXNZUTBQSJC-IAGOWNOFSA-N 2 0 350.507 0.777 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662930501 493555272 /nfs/dbraw/zinc/55/52/72/493555272.db2.gz RECSWSUIALMOBP-QGZVFWFLSA-N 2 0 368.522 0.261 10 0 FCAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662930028 493555365 /nfs/dbraw/zinc/55/53/65/493555365.db2.gz LUUISHIIWHDOKU-YYIAUSFCSA-N 2 0 368.497 0.997 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662943061 493557924 /nfs/dbraw/zinc/55/79/24/493557924.db2.gz RPSWCYRWPLEDIU-HNNXBMFYSA-N 2 0 364.412 0.635 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CCO1 ZINC000662972047 493562613 /nfs/dbraw/zinc/56/26/13/493562613.db2.gz HLAGTCYNUBZLCX-HZPDHXFCSA-N 2 0 364.494 0.776 10 0 FCAERP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663016208 493566797 /nfs/dbraw/zinc/56/67/97/493566797.db2.gz BOYYLMZPUFAHDN-BFYDXBDKSA-N 2 0 360.506 0.913 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)CCO1 ZINC000663655218 493610205 /nfs/dbraw/zinc/61/02/05/493610205.db2.gz MHIILFRIXDQDRY-QGZVFWFLSA-N 2 0 356.511 0.851 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@H](C)C1 ZINC000671103224 493633980 /nfs/dbraw/zinc/63/39/80/493633980.db2.gz DMIYPWGUWBJXJX-NCOADZHNSA-N 2 0 350.507 0.918 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000664175234 493642042 /nfs/dbraw/zinc/64/20/42/493642042.db2.gz YOKOVFVJMYXXJZ-QGZVFWFLSA-N 2 0 369.554 0.670 10 0 FCAERP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000671147174 493643778 /nfs/dbraw/zinc/64/37/78/493643778.db2.gz OYHGUWDSGQCMIW-QZTJIDSGSA-N 2 0 358.486 0.978 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671343511 493657935 /nfs/dbraw/zinc/65/79/35/493657935.db2.gz NOMJWYAXROKZOV-MOPGFXCFSA-N 2 0 372.513 0.876 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000665761611 493733567 /nfs/dbraw/zinc/73/35/67/493733567.db2.gz KFDNBIILRGMTAJ-IRXDYDNUSA-N 2 0 371.570 0.745 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000665761416 493733702 /nfs/dbraw/zinc/73/37/02/493733702.db2.gz CLTSQFJIQYQQRW-IRXDYDNUSA-N 2 0 371.570 0.745 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000665761415 493734409 /nfs/dbraw/zinc/73/44/09/493734409.db2.gz CLTSQFJIQYQQRW-DLBZAZTESA-N 2 0 371.570 0.745 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672304847 493751603 /nfs/dbraw/zinc/75/16/03/493751603.db2.gz NNELLVGERRPXQS-QGZVFWFLSA-N 2 0 350.507 0.825 10 0 FCAERP COc1ncc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1C(N)=O ZINC000666344998 493773670 /nfs/dbraw/zinc/77/36/70/493773670.db2.gz LBSKHTYMEBPTDD-LBPRGKRZSA-N 2 0 366.466 0.583 10 0 FCAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000410500376 527826039 /nfs/dbraw/zinc/82/60/39/527826039.db2.gz WQSUXZMTKOJEER-RDJZCZTQSA-N 2 0 350.507 0.872 10 0 FCAERP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000415256471 535483261 /nfs/dbraw/zinc/48/32/61/535483261.db2.gz OVDZGGSMAJZURP-INIZCTEOSA-N 2 0 362.474 0.698 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419786514 535666660 /nfs/dbraw/zinc/66/66/60/535666660.db2.gz VCQBJSWWCISULL-HYVNUMGLSA-N 2 0 368.522 0.578 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419904680 536355577 /nfs/dbraw/zinc/35/55/77/536355577.db2.gz XWDODXYIYYQQNC-BRWVUGGUSA-N 2 0 365.522 0.001 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414822800 536357320 /nfs/dbraw/zinc/35/73/20/536357320.db2.gz CPXOJERMNLMKSX-SFHVURJKSA-N 2 0 373.501 0.712 10 0 FCAERP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000419562912 536386107 /nfs/dbraw/zinc/38/61/07/536386107.db2.gz VYNXWHWIHXBRIG-UKRRQHHQSA-N 2 0 350.488 0.679 10 0 FCAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000125400346 546542105 /nfs/dbraw/zinc/54/21/05/546542105.db2.gz DMDNLYMFCINLNT-AWEZNQCLSA-N 2 0 350.467 0.374 10 0 FCAERP CSC1(CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[NH+](C)CC1 ZINC000593409257 546703774 /nfs/dbraw/zinc/70/37/74/546703774.db2.gz WLRFBXRUDMMDOH-UHFFFAOYSA-N 2 0 371.551 0.229 10 0 FCAERP Cc1cc(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000547281883 547050531 /nfs/dbraw/zinc/05/05/31/547050531.db2.gz GBAKBNNXTUUJBE-KRWDZBQOSA-N 2 0 350.467 0.646 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000550373071 547083609 /nfs/dbraw/zinc/08/36/09/547083609.db2.gz SWRFKHSLRKJYMJ-MRXNPFEDSA-N 2 0 354.495 0.202 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000550783847 547104520 /nfs/dbraw/zinc/10/45/20/547104520.db2.gz AJDHIOKEMZTMAP-INIZCTEOSA-N 2 0 354.495 0.015 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)NCCCC[NH+]1CCOCC1)C1CCCC1 ZINC000551166530 547130846 /nfs/dbraw/zinc/13/08/46/547130846.db2.gz ONYIMQOHJYHQDR-UHFFFAOYSA-N 2 0 354.495 0.206 10 0 FCAERP C(C[NH+]1CCCC1)Nc1nc2c(c(NCC[NH+]3CCCC3)n1)SCC2 ZINC000553332021 547269399 /nfs/dbraw/zinc/26/93/99/547269399.db2.gz HVUFNHFLNQGGKE-UHFFFAOYSA-N 2 0 362.547 0.984 10 0 FCAERP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCC[N@H+](C)CCOC)CC1 ZINC000897617300 665756178 /nfs/dbraw/zinc/75/61/78/665756178.db2.gz MICJYUPSZJTAAF-UHFFFAOYSA-N 2 0 354.495 0.158 10 0 FCAERP Cc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(Cl)n1 ZINC000898378737 665818006 /nfs/dbraw/zinc/81/80/06/665818006.db2.gz HHZFNKOTTSGOOS-UHFFFAOYSA-N 2 0 369.897 0.611 10 0 FCAERP COCCN(CC1CC[NH+](C)CC1)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899153677 665931205 /nfs/dbraw/zinc/93/12/05/665931205.db2.gz MHQMUWKFFOKUBW-UHFFFAOYSA-N 2 0 353.507 0.914 10 0 FCAERP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000905355827 666018505 /nfs/dbraw/zinc/01/85/05/666018505.db2.gz CQIXMWDBCXTTIH-UHFFFAOYSA-N 2 0 356.536 0.658 10 0 FCAERP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000908539565 666211305 /nfs/dbraw/zinc/21/13/05/666211305.db2.gz AYKYVXLIZCXFCR-GOSISDBHSA-N 2 0 354.539 0.756 10 0 FCAERP CC(C)[NH+]1CCN(CCC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000912732850 666471300 /nfs/dbraw/zinc/47/13/00/666471300.db2.gz INKPWHWBVSQJEV-GOSISDBHSA-N 2 0 354.539 0.972 10 0 FCAERP C/C(=C\C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)CN1CCOCC1 ZINC000913152455 666509125 /nfs/dbraw/zinc/50/91/25/666509125.db2.gz PCMZHFFJWPIUHC-BMRADRMJSA-N 2 0 351.491 0.978 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C[NH+](C)C ZINC000929780866 666680250 /nfs/dbraw/zinc/68/02/50/666680250.db2.gz HRFCYWYLZWUVMK-HOTGVXAUSA-N 2 0 356.511 0.306 10 0 FCAERP C[NH+](C)CCOCCNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000922145192 667594815 /nfs/dbraw/zinc/59/48/15/667594815.db2.gz PPCFSTJYSXEGHR-INIZCTEOSA-N 2 0 356.511 0.849 10 0 FCAERP C[C@@H]1CC[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C[C@H]1C[NH3+] ZINC000923375474 667829057 /nfs/dbraw/zinc/82/90/57/667829057.db2.gz MSLSWLKKOPTRFK-KFWWJZLASA-N 2 0 361.552 0.905 10 0 FCAERP CCOCC[C@H](O)C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923396988 667831090 /nfs/dbraw/zinc/83/10/90/667831090.db2.gz ADDXTRHULGVTIL-HOTGVXAUSA-N 2 0 351.495 0.786 10 0 FCAERP O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923419387 667834069 /nfs/dbraw/zinc/83/40/69/667834069.db2.gz AZPQBWDHZVDUPM-VQHPVUNQSA-N 2 0 351.491 0.497 10 0 FCAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC(=O)NC(=O)NCc1cccs1)CC2 ZINC000923455439 667836924 /nfs/dbraw/zinc/83/69/24/667836924.db2.gz UKMRMMXCVUPBMH-ZDUSSCGKSA-N 2 0 366.487 0.904 10 0 FCAERP C[C@@H](NS(=O)(=O)C1C[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000923602759 667876192 /nfs/dbraw/zinc/87/61/92/667876192.db2.gz FPGZAGIPAWJWMM-GFCCVEGCSA-N 2 0 356.467 0.530 10 0 FCAERP O[C@@H]1C[C@H](O)C[NH+](CCCCCCCCC[N@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000781899344 668538165 /nfs/dbraw/zinc/53/81/65/668538165.db2.gz SZDBCLUBBOPGLH-QGFMHUBQSA-N 2 0 358.523 0.572 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000819038731 668972731 /nfs/dbraw/zinc/97/27/31/668972731.db2.gz KABSNCMGMKKDGP-HOTGVXAUSA-N 2 0 356.511 0.584 10 0 FCAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(F)cn2)(N2CCOCC2)CC1 ZINC000819366208 668999650 /nfs/dbraw/zinc/99/96/50/668999650.db2.gz LBFVIZANAHIKGG-QGZVFWFLSA-N 2 0 352.454 0.640 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000810319655 669671559 /nfs/dbraw/zinc/67/15/59/669671559.db2.gz JUJBKNHDCURKQS-KSSFIOAISA-N 2 0 356.486 0.903 10 0 FCAERP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc(Cl)n1 ZINC000832526650 669907403 /nfs/dbraw/zinc/90/74/03/669907403.db2.gz XJBZMOOQPLRYPO-GXTWGEPZSA-N 2 0 367.881 0.747 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000843091690 670774791 /nfs/dbraw/zinc/77/47/91/670774791.db2.gz AFTKEBALNMUQLM-CJNGLKHVSA-N 2 0 372.307 0.680 10 0 FCAERP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843386132 670810788 /nfs/dbraw/zinc/81/07/88/670810788.db2.gz CHTXCGMOVIGDPX-IYBDPMFKSA-N 2 0 354.520 0.976 10 0 FCAERP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000867387325 671017321 /nfs/dbraw/zinc/01/73/21/671017321.db2.gz AJAMDFWMOXTJQV-RDJZCZTQSA-N 2 0 350.507 0.872 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)CC[C@H]21 ZINC000867417742 671104050 /nfs/dbraw/zinc/10/40/50/671104050.db2.gz HPLPNYHAGXLUAZ-HZPDHXFCSA-N 2 0 350.507 0.872 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000846732082 671143426 /nfs/dbraw/zinc/14/34/26/671143426.db2.gz ATAPVVZOZZKJAH-HZPDHXFCSA-N 2 0 354.495 0.060 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849499847 671352066 /nfs/dbraw/zinc/35/20/66/671352066.db2.gz NPUULNXDEAUQEN-SJORKVTESA-N 2 0 351.495 0.540 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1SCCS1 ZINC000850627981 671392623 /nfs/dbraw/zinc/39/26/23/671392623.db2.gz ALOQPXIMRVNDFO-UHFFFAOYSA-N 2 0 362.565 0.251 10 0 FCAERP CC[NH+](CC)CCN(C(=O)C=C1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000852882390 671528950 /nfs/dbraw/zinc/52/89/50/671528950.db2.gz FVJNXMPHLUHSBS-MRXNPFEDSA-N 2 0 357.520 0.654 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000853683128 671554095 /nfs/dbraw/zinc/55/40/95/671554095.db2.gz NCJJDXWKRKPJDD-GVDBMIGSSA-N 2 0 355.527 0.421 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCO1 ZINC000853683875 671554113 /nfs/dbraw/zinc/55/41/13/671554113.db2.gz XPDOVWYVTCPATE-BBWFWOEESA-N 2 0 354.495 0.602 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000903483985 675932572 /nfs/dbraw/zinc/93/25/72/675932572.db2.gz NIRUDBBNQWTDBH-IRXDYDNUSA-N 2 0 352.523 0.724 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000903483983 675932625 /nfs/dbraw/zinc/93/26/25/675932625.db2.gz NIRUDBBNQWTDBH-IAGOWNOFSA-N 2 0 352.523 0.724 10 0 FCAERP CCN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903494488 675933254 /nfs/dbraw/zinc/93/32/54/675933254.db2.gz GLCBXEQZOQWSMG-WDMOLILDSA-N 2 0 351.369 0.610 10 0 FCAERP C[Si](C)(CC[NH+]1C[C@@H]2COC[C@H](C1)O2)CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000859297091 671811410 /nfs/dbraw/zinc/81/14/10/671811410.db2.gz TYKPVMQYPPLALS-USTZCAOPSA-N 2 0 370.566 0.894 10 0 FCAERP Cc1c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cnn1C ZINC000903562630 675945289 /nfs/dbraw/zinc/94/52/89/675945289.db2.gz RDAIAXPXSYWYGK-GASCZTMLSA-N 2 0 353.492 0.318 10 0 FCAERP CC(C)[C@H](C)N(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903720196 675963481 /nfs/dbraw/zinc/96/34/81/675963481.db2.gz IGLRTYXDTFCAEU-BHYGNILZSA-N 2 0 350.507 0.917 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC000903730905 675964734 /nfs/dbraw/zinc/96/47/34/675964734.db2.gz QJLIYOINJHQWDK-YNEHKIRRSA-N 2 0 362.396 0.421 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903732098 675964906 /nfs/dbraw/zinc/96/49/06/675964906.db2.gz OTMXVQRTGSMJAF-VXGBXAGGSA-N 2 0 350.385 0.279 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000903750150 675967557 /nfs/dbraw/zinc/96/75/57/675967557.db2.gz HHAFYFSORIJDNE-FVCCEPFGSA-N 2 0 364.412 0.666 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000903750151 675967645 /nfs/dbraw/zinc/96/76/45/675967645.db2.gz HHAFYFSORIJDNE-LPWJVIDDSA-N 2 0 364.412 0.666 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CCC1(C)C ZINC000903777507 675972637 /nfs/dbraw/zinc/97/26/37/675972637.db2.gz YZGOLOXBPONILP-GHMZBOCLSA-N 2 0 350.385 0.277 10 0 FCAERP FC(F)(F)[C@H](C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000903918548 675982447 /nfs/dbraw/zinc/98/24/47/675982447.db2.gz BDPMGOLQZOCFKL-OCCSQVGLSA-N 3 0 361.416 0.128 10 0 FCAERP Cc1c(C[C@H](C[NH3+])C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cnn1C ZINC000903927333 675983102 /nfs/dbraw/zinc/98/31/02/675983102.db2.gz XNXRINDLHWGIPI-GOSISDBHSA-N 3 0 350.555 0.709 10 0 FCAERP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903933927 675983571 /nfs/dbraw/zinc/98/35/71/675983571.db2.gz BEAWXDYMPWZMMZ-HUUCEWRRSA-N 2 0 357.524 0.107 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866822192 672313283 /nfs/dbraw/zinc/31/32/83/672313283.db2.gz AIDSYEDKLOPJJP-GJZGRUSLSA-N 2 0 355.508 0.577 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C[C@@H]1C ZINC000867514847 672329739 /nfs/dbraw/zinc/32/97/39/672329739.db2.gz QSSQNRCFHARQMM-VVLHAWIVSA-N 2 0 350.507 0.870 10 0 FCAERP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867540934 672334499 /nfs/dbraw/zinc/33/44/99/672334499.db2.gz XRNMJWIGUISAEO-IAGOWNOFSA-N 2 0 350.507 0.873 10 0 FCAERP CC(C)Cn1cnc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000867589517 672343062 /nfs/dbraw/zinc/34/30/62/672343062.db2.gz PLBHXRCUXJKIQN-HZPDHXFCSA-N 2 0 371.551 0.899 10 0 FCAERP CCOc1ccc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000867588982 672343076 /nfs/dbraw/zinc/34/30/76/672343076.db2.gz AGJGPDVQAUVZAM-HUUCEWRRSA-N 2 0 370.519 0.840 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)N=S2(=O)CCCC2)C[C@H]1C[NH+](C)C ZINC000867590719 672343754 /nfs/dbraw/zinc/34/37/54/672343754.db2.gz SQAKQKSCAUZORP-ZIAGYGMSSA-N 2 0 366.553 0.164 10 0 FCAERP Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867591039 672343916 /nfs/dbraw/zinc/34/39/16/672343916.db2.gz XWHFOMNIRQTQBG-VXGBXAGGSA-N 2 0 363.915 0.433 10 0 FCAERP CN(CC1=CCSC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867641361 672351712 /nfs/dbraw/zinc/35/17/12/672351712.db2.gz WZNVDOURVAIAEM-HZPDHXFCSA-N 2 0 368.547 0.316 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868370778 672396254 /nfs/dbraw/zinc/39/62/54/672396254.db2.gz UOCJXMMFCIBHKE-GOSISDBHSA-N 2 0 356.511 0.247 10 0 FCAERP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000868387593 672397910 /nfs/dbraw/zinc/39/79/10/672397910.db2.gz ORWZUKCQTRNHEZ-HNNXBMFYSA-N 2 0 350.507 0.907 10 0 FCAERP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000868389654 672398204 /nfs/dbraw/zinc/39/82/04/672398204.db2.gz BCQALGIBVSSUEC-INIZCTEOSA-N 2 0 350.507 0.921 10 0 FCAERP C[C@H]1CCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)C[C@@H]1C[NH3+] ZINC000868391082 672398230 /nfs/dbraw/zinc/39/82/30/672398230.db2.gz SDKQEOOGCKKUJS-HOTGVXAUSA-N 2 0 350.507 0.764 10 0 FCAERP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@](C[NH3+])(C(C)(C)C)C3)C2)C1 ZINC000868411213 672399169 /nfs/dbraw/zinc/39/91/69/672399169.db2.gz NPTWFDJKFUKLRU-RTBURBONSA-N 2 0 350.507 0.764 10 0 FCAERP O=S(=O)(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000923614350 672448933 /nfs/dbraw/zinc/44/89/33/672448933.db2.gz FTKZUYCENWSGTO-SFHVURJKSA-N 2 0 367.515 0.815 10 0 FCAERP CC[NH+]1CCN(CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000870020827 672461691 /nfs/dbraw/zinc/46/16/91/672461691.db2.gz HELXWCYMDLEYME-QZTJIDSGSA-N 3 0 353.555 0.212 10 0 FCAERP CC(=O)N[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CCCC1 ZINC000870024882 672462489 /nfs/dbraw/zinc/46/24/89/672462489.db2.gz VWWHQCUBFFNPGC-KURKYZTESA-N 2 0 352.523 0.879 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C[C@H]1C[NH+](C)C ZINC000870023636 672462500 /nfs/dbraw/zinc/46/25/00/672462500.db2.gz GEGYXPLTLSOCPX-BZUAXINKSA-N 2 0 352.523 0.831 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997044 672524609 /nfs/dbraw/zinc/52/46/09/672524609.db2.gz JPYIICALKYBCQV-QXSJWSMHSA-N 2 0 350.463 0.644 10 0 FCAERP C[C@@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCCCCC1 ZINC000870999477 672525311 /nfs/dbraw/zinc/52/53/11/672525311.db2.gz OQRHDIDETUTDJQ-JJXSEGSLSA-N 2 0 350.463 0.644 10 0 FCAERP O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000872146508 672594576 /nfs/dbraw/zinc/59/45/76/672594576.db2.gz PLKHQBXOEFXIFW-QBPKDAKJSA-N 2 0 351.491 0.639 10 0 FCAERP CN(C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000872189359 672598340 /nfs/dbraw/zinc/59/83/40/672598340.db2.gz GFIYFFBCUZFOLP-DRZSPHRISA-N 2 0 362.396 0.277 10 0 FCAERP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872192107 672600215 /nfs/dbraw/zinc/60/02/15/672600215.db2.gz DVBAUCJINWEOAI-NWDGAFQWSA-N 2 0 364.412 0.525 10 0 FCAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872256075 672609351 /nfs/dbraw/zinc/60/93/51/672609351.db2.gz LYNUMSAHDOWZQJ-XHSDSOJGSA-N 2 0 350.463 0.644 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC2([S@@](C)=O)CCC2)C[C@H]1C[NH+](C)C ZINC000875556092 672892482 /nfs/dbraw/zinc/89/24/82/672892482.db2.gz KZJNYLLKRLXLDN-KAEOHJDDSA-N 2 0 358.552 0.668 10 0 FCAERP CC(C)S(=O)(=O)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875589062 672895815 /nfs/dbraw/zinc/89/58/15/672895815.db2.gz NDCTUGJFDGCZJW-HUUCEWRRSA-N 2 0 362.540 0.190 10 0 FCAERP CO[C@H]1COCC[C@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875638364 672901154 /nfs/dbraw/zinc/90/11/54/672901154.db2.gz ZKMVFPLBXFGONC-HZMVEIRTSA-N 2 0 356.511 0.419 10 0 FCAERP COCC[N@H+](C)CCCC1CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC000930144345 673721819 /nfs/dbraw/zinc/72/18/19/673721819.db2.gz DDPZXOTWKBKPDN-SFHVURJKSA-N 2 0 358.523 0.959 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923734310 673739527 /nfs/dbraw/zinc/73/95/27/673739527.db2.gz LYDNWPPZLWRSCG-KRWDZBQOSA-N 2 0 369.535 0.968 10 0 FCAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000926684250 673839953 /nfs/dbraw/zinc/83/99/53/673839953.db2.gz FGSMJSQSKFWZSH-JKSUJKDBSA-N 2 0 362.584 0.908 10 0 FCAERP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000927810342 673882155 /nfs/dbraw/zinc/88/21/55/673882155.db2.gz IDSPWFNCXWJBIN-BXUZGUMPSA-N 2 0 368.865 0.943 10 0 FCAERP C[C@@H]1[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CC[NH+](C)[C@@H]3C)C2)CC[N@@H+]1C ZINC000928432190 673909941 /nfs/dbraw/zinc/90/99/41/673909941.db2.gz QECJOEVIVVDYTK-ZBURPKILSA-N 2 0 350.507 0.820 10 0 FCAERP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[C@H]2C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000928428758 673909973 /nfs/dbraw/zinc/90/99/73/673909973.db2.gz YSNCPXZPQJZFFQ-HDKMNVHJSA-N 2 0 350.507 0.820 10 0 FCAERP CC[NH+]1CCN([C@@H](C)CNC(=O)CN2CC[N@@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000930084602 673996733 /nfs/dbraw/zinc/99/67/33/673996733.db2.gz AHOCRWHZPHGKNH-RCCFBDPRSA-N 2 0 353.555 0.543 10 0 FCAERP C[C@H](O)C[C@@H]1CCC[NH+]1[C@@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000930082305 673996842 /nfs/dbraw/zinc/99/68/42/673996842.db2.gz WOJGZWQXIBDJHK-ATIWLJMLSA-N 2 0 355.523 0.962 10 0 FCAERP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C[C@]2(O)CCC[NH+](C)C2)C[C@H](C)O1 ZINC000900372194 675676707 /nfs/dbraw/zinc/67/67/07/675676707.db2.gz QYIRQUCYBCTLNJ-MJQMVNBJSA-N 2 0 353.507 0.933 10 0 FCAERP O=C(C1C[NH+](C2CCOCC2)C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000901079988 675751164 /nfs/dbraw/zinc/75/11/64/675751164.db2.gz YKICFDGTSLYVDK-SFHVURJKSA-N 2 0 351.491 0.811 10 0 FCAERP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000901275185 675778718 /nfs/dbraw/zinc/77/87/18/675778718.db2.gz XHMOZRSMGMUWKB-AOIWGVFYSA-N 2 0 352.523 0.318 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000897483363 1192182227 /nfs/dbraw/zinc/18/22/27/1192182227.db2.gz AQRYYLPTXZMQIU-CVEARBPZSA-N 2 0 371.485 0.719 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCC[NH+](C)C[C@@H](O)COc2ccccc2F)CC[N@@H+]1C ZINC001266276770 1167824113 /nfs/dbraw/zinc/82/41/13/1167824113.db2.gz AMVBXXVFPGOOTP-BZUAXINKSA-N 2 0 367.465 0.954 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CCCCC2)CC[N@@H+]1C ZINC001482730926 1192374750 /nfs/dbraw/zinc/37/47/50/1192374750.db2.gz JQRDHBIIWYSAPQ-IXDOHACOSA-N 2 0 368.522 0.232 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001719683511 1179356840 /nfs/dbraw/zinc/35/68/40/1179356840.db2.gz QOWSIBMSASYNAL-APWZRJJASA-N 2 0 350.507 0.731 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001719684183 1179363151 /nfs/dbraw/zinc/36/31/51/1179363151.db2.gz JVHWEWFFLMUULC-YZLZLFLDSA-N 2 0 364.534 0.975 10 0 FCAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000128369927 1180105713 /nfs/dbraw/zinc/10/57/13/1180105713.db2.gz UVDXQGXNSHVRRU-OAHLLOKOSA-N 2 0 364.494 0.477 10 0 FCAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001719857973 1180202052 /nfs/dbraw/zinc/20/20/52/1180202052.db2.gz HLWZFIQEIDAUTF-PMPSAXMXSA-N 2 0 360.502 0.672 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001267581495 1181924309 /nfs/dbraw/zinc/92/43/09/1181924309.db2.gz ASRXXLFUKFOQSF-YESZJQIVSA-N 2 0 365.522 0.522 10 0 FCAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)Nc1nncs1 ZINC001481811958 1187539602 /nfs/dbraw/zinc/53/96/02/1187539602.db2.gz FEMUJGOTGDFDQQ-IJLUTSLNSA-N 2 0 354.480 0.301 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)N(C)C ZINC000549956103 1187827072 /nfs/dbraw/zinc/82/70/72/1187827072.db2.gz JMLNBWVJTGNTMK-LSDHHAIUSA-N 2 0 366.462 0.226 10 0 FCAERP Cc1cc(NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001482283884 1188126587 /nfs/dbraw/zinc/12/65/87/1188126587.db2.gz QYLNGBYQJBSMME-MRVWCRGKSA-N 2 0 351.451 0.698 10 0 FCAERP CN(C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550034403 1188213479 /nfs/dbraw/zinc/21/34/79/1188213479.db2.gz LNZPOCWHVCCMLM-RTBURBONSA-N 2 0 372.513 0.971 10 0 FCAERP 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COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000553274302 1193983537 /nfs/dbraw/zinc/98/35/37/1193983537.db2.gz SPVHHKCSWUFFIS-IAGOWNOFSA-N 2 0 366.506 0.300 10 0 FCAERP O=C(c1nc2ccccc2c(=O)[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905295744 1195580102 /nfs/dbraw/zinc/58/01/02/1195580102.db2.gz YMFOXBAZCNJNHH-GASCZTMLSA-N 2 0 367.453 0.964 10 0 FCAERP O=C(N1CCCC[C@H]1CN1CCOCC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221413 1195617936 /nfs/dbraw/zinc/61/79/36/1195617936.db2.gz GNLZSAIWBDDLBY-KRWDZBQOSA-N 2 0 361.490 0.675 10 0 FCAERP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1=O ZINC000908238073 1195735398 /nfs/dbraw/zinc/73/53/98/1195735398.db2.gz MWGHKLBDOLCAOD-ZACQAIPSSA-N 2 0 366.506 0.299 10 0 FCAERP C[C@@H](CCCCNC(=O)C12CC[NH+](CC1)C2)NC(=O)C12CC[NH+](CC1)C2 ZINC000908332004 1195739401 /nfs/dbraw/zinc/73/94/01/1195739401.db2.gz XXZAPQRWUFPUJO-INIZCTEOSA-N 2 0 362.518 0.969 10 0 FCAERP C[NH+](C)CCn1nccc1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000912391361 1196345675 /nfs/dbraw/zinc/34/56/75/1196345675.db2.gz NSCNDUHNOUVDGM-GOSISDBHSA-N 2 0 371.485 0.941 10 0 FCAERP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC[N@H+](C)C1 ZINC000594256300 1196700417 /nfs/dbraw/zinc/70/04/17/1196700417.db2.gz QBDWLKCFTSFDKU-LVQVYYBASA-N 2 0 370.494 0.230 10 0 FCAERP COC(=O)[C@@H]1CN(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC[N@H+](C)C1 ZINC000594256299 1196700610 /nfs/dbraw/zinc/70/06/10/1196700610.db2.gz QBDWLKCFTSFDKU-JONQDZQNSA-N 2 0 370.494 0.230 10 0 FCAERP CC1C[C@H](C(=O)NC23CC[NH+](CC2)C3)[C@@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913633077 1197095899 /nfs/dbraw/zinc/09/58/99/1197095899.db2.gz LCBQOMRXABBSNR-HOTGVXAUSA-N 2 0 360.502 0.578 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913683597 1197109077 /nfs/dbraw/zinc/10/90/77/1197109077.db2.gz JJGNVBUXEKHIDW-AWEZNQCLSA-N 2 0 372.510 0.356 10 0 FCAERP C[C@H]1C[C@@H](C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000913918707 1197163948 /nfs/dbraw/zinc/16/39/48/1197163948.db2.gz OZRODLKWVZVJEH-QUSNUVHPSA-N 2 0 368.522 0.040 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000792548494 1201199794 /nfs/dbraw/zinc/19/97/94/1201199794.db2.gz DHWONEYJIASVGH-KRWDZBQOSA-N 2 0 374.441 0.964 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000819193345 1203151852 /nfs/dbraw/zinc/15/18/52/1203151852.db2.gz FPHQVAFLFILEAK-RBUKOAKNSA-N 2 0 360.502 0.376 10 0 FCAERP Cc1ccc(C2=NO[C@@H](C[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)cc1C ZINC000819296578 1203153567 /nfs/dbraw/zinc/15/35/67/1203153567.db2.gz ZPWOOGYEKZXWFV-RBUKOAKNSA-N 2 0 360.502 0.994 10 0 FCAERP CN1CC[NH+](C[C@@H](O)CNc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000819412521 1203158238 /nfs/dbraw/zinc/15/82/38/1203158238.db2.gz ZJIJMWXGHZZSTK-FQEVSTJZSA-N 2 0 361.534 0.849 10 0 FCAERP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000846322097 1204613663 /nfs/dbraw/zinc/61/36/63/1204613663.db2.gz KDNJOBORXLGVLL-UHFFFAOYSA-N 2 0 359.474 0.622 10 0 FCAERP CNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001488912784 1208565925 /nfs/dbraw/zinc/56/59/25/1208565925.db2.gz ZBQPVLMHTLYLEK-QLFBSQMISA-N 2 0 364.494 0.067 10 0 FCAERP CCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001488954697 1208583250 /nfs/dbraw/zinc/58/32/50/1208583250.db2.gz KZEDFDQQODRFTC-HRCADAONSA-N 2 0 363.510 0.799 10 0 FCAERP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1)NC[C@H]1CCOC1 ZINC001488968627 1208590110 /nfs/dbraw/zinc/59/01/10/1208590110.db2.gz QHYYEUCIDKZZKE-GVDBMIGSSA-N 2 0 366.506 0.109 10 0 FCAERP CCN1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCn2cncn2)C1 ZINC001489056492 1208616136 /nfs/dbraw/zinc/61/61/36/1208616136.db2.gz SVTCRCMNTJVRCG-IXDOHACOSA-N 2 0 364.494 0.216 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001489340513 1208774269 /nfs/dbraw/zinc/77/42/69/1208774269.db2.gz WACSICGQWBMVOL-IXDOHACOSA-N 2 0 368.522 0.279 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001489580315 1208988730 /nfs/dbraw/zinc/98/87/30/1208988730.db2.gz QMGCOWOGEHKAAF-IKGGRYGDSA-N 2 0 368.522 0.279 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001489599251 1209025318 /nfs/dbraw/zinc/02/53/18/1209025318.db2.gz JOYOBADHEOGXCL-ZACQAIPSSA-N 2 0 368.522 0.135 10 0 FCAERP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O)[NH+](CC)CC ZINC001489626495 1209058734 /nfs/dbraw/zinc/05/87/34/1209058734.db2.gz MRGIVLXGPHZOOP-IKGGRYGDSA-N 2 0 368.522 0.137 10 0 FCAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001489879541 1209099022 /nfs/dbraw/zinc/09/90/22/1209099022.db2.gz AJVPGKVZRNHGLW-USXIJHARSA-N 2 0 350.507 0.681 10 0 FCAERP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001489867720 1209126797 /nfs/dbraw/zinc/12/67/97/1209126797.db2.gz FWVVSUDBJKAYMM-XHSDSOJGSA-N 2 0 368.522 0.448 10 0 FCAERP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001489867719 1209126985 /nfs/dbraw/zinc/12/69/85/1209126985.db2.gz FWVVSUDBJKAYMM-ARFHVFGLSA-N 2 0 368.522 0.448 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001489931973 1209165411 /nfs/dbraw/zinc/16/54/11/1209165411.db2.gz XAZMKMXCPCRENZ-IXDOHACOSA-N 2 0 368.522 0.402 10 0 FCAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001490041486 1209222787 /nfs/dbraw/zinc/22/27/87/1209222787.db2.gz KFVGONZQRXPMCF-SJORKVTESA-N 2 0 352.523 0.975 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCN1C(=O)CCC[NH+](C)C ZINC001490124089 1209243759 /nfs/dbraw/zinc/24/37/59/1209243759.db2.gz TVJNSDUZGSXVOL-WBVHZDCISA-N 2 0 368.522 0.545 10 0 FCAERP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000850865754 1209493384 /nfs/dbraw/zinc/49/33/84/1209493384.db2.gz TWLGJIAPMSAPJV-ZIAGYGMSSA-N 2 0 363.437 0.275 10 0 FCAERP [NH3+]C[C@@H]1CC(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)=NO1 ZINC000852872147 1209570478 /nfs/dbraw/zinc/57/04/78/1209570478.db2.gz BQVGIVVQPHSUMB-SFHVURJKSA-N 2 0 373.501 0.804 10 0 FCAERP CC[NH+]1CCC(NC(=O)CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CC1 ZINC000856535966 1209714643 /nfs/dbraw/zinc/71/46/43/1209714643.db2.gz OCMMPJJRDLXYKW-ZWKOTPCHSA-N 2 0 373.501 0.437 10 0 FCAERP C[C@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[NH+]1CCCCC1 ZINC000861564121 1209871392 /nfs/dbraw/zinc/87/13/92/1209871392.db2.gz HNQRHJPKXZUYKQ-MRXNPFEDSA-N 2 0 366.510 0.213 10 0 FCAERP [NH3+]Cc1ccc(CNC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000861648851 1209873664 /nfs/dbraw/zinc/87/36/64/1209873664.db2.gz YBCMBXRRTXWBKB-SJORKVTESA-N 2 0 373.457 0.612 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000861760680 1209880759 /nfs/dbraw/zinc/88/07/59/1209880759.db2.gz LXEAIVSEYABJCP-VPWXQRGCSA-N 2 0 358.486 0.881 10 0 FCAERP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000861797655 1209883189 /nfs/dbraw/zinc/88/31/89/1209883189.db2.gz ZJHLHQGGHUPXAK-UHFFFAOYSA-N 2 0 362.474 0.331 10 0 FCAERP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000863546373 1209944576 /nfs/dbraw/zinc/94/45/76/1209944576.db2.gz CEWLXXFNMKPINK-IPELMVKDSA-N 3 0 374.485 0.995 10 0 FCAERP NC(=O)c1ccc(CC[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000866661473 1210000730 /nfs/dbraw/zinc/00/07/30/1210000730.db2.gz QKURHYAFGLUQJG-SJLPKXTDSA-N 2 0 358.486 0.908 10 0 FCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867508212 1210010256 /nfs/dbraw/zinc/01/02/56/1210010256.db2.gz ZGIJBRIJXVDMNX-RDJZCZTQSA-N 2 0 362.474 0.722 10 0 FCAERP CN(C[C@@H]1CC=CCC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867542946 1210011956 /nfs/dbraw/zinc/01/19/56/1210011956.db2.gz JGRZEDKXAPKBGF-KZNAEPCWSA-N 2 0 364.534 0.999 10 0 FCAERP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H](C)CO1 ZINC000867625332 1210018428 /nfs/dbraw/zinc/01/84/28/1210018428.db2.gz ZLPXCKAQGZWXNH-HZMVEIRTSA-N 2 0 368.522 0.210 10 0 FCAERP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H](C)CO1 ZINC000867625334 1210018703 /nfs/dbraw/zinc/01/87/03/1210018703.db2.gz ZLPXCKAQGZWXNH-VQHPVUNQSA-N 2 0 368.522 0.210 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CCO1 ZINC000867740865 1210026725 /nfs/dbraw/zinc/02/67/25/1210026725.db2.gz LNNVYNSQDRWWRE-INIZCTEOSA-N 2 0 368.522 0.498 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cn2)CC1 ZINC000868250042 1210047548 /nfs/dbraw/zinc/04/75/48/1210047548.db2.gz GAXPIRQSDZXKGI-LJQANCHMSA-N 2 0 374.489 0.690 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C[C@H]1C[NH3+] ZINC000868274248 1210048133 /nfs/dbraw/zinc/04/81/33/1210048133.db2.gz ZUWGRKNNOXIBNS-HZPDHXFCSA-N 2 0 373.501 0.820 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)CC[C@@H]21 ZINC000868309219 1210050790 /nfs/dbraw/zinc/05/07/90/1210050790.db2.gz HAQWODOALXSGQA-HOCLYGCPSA-N 2 0 358.442 0.660 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)CC[C@H]21 ZINC000868308721 1210051313 /nfs/dbraw/zinc/05/13/13/1210051313.db2.gz CXHGNJSIUJLCNR-XJKSGUPXSA-N 2 0 360.433 0.963 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCc4ccccc4[C@H]3C[NH3+])CC[C@@H]21 ZINC000868393636 1210061516 /nfs/dbraw/zinc/06/15/16/1210061516.db2.gz QLJHERBWMLMEKP-BPQIPLTHSA-N 2 0 356.470 0.624 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C4CC[NH2+]CC4)C3)CC[C@H]21 ZINC000868411192 1210063373 /nfs/dbraw/zinc/06/33/73/1210063373.db2.gz UKZVBOVJLRPUDP-KZNAEPCWSA-N 2 0 362.518 0.777 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@]2(C3CCCC3)CCNC2=O)C[C@H]1C[NH+](C)C ZINC000870016395 1210099445 /nfs/dbraw/zinc/09/94/45/1210099445.db2.gz MYWPDHVACLOQNI-JXXFODFXSA-N 2 0 364.534 0.881 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@]2(C3CCCC3)CCNC2=O)C[C@H]1C[NH+](C)C ZINC000870016396 1210099586 /nfs/dbraw/zinc/09/95/86/1210099586.db2.gz MYWPDHVACLOQNI-QINHECLXSA-N 2 0 364.534 0.881 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2COCCN2C2CCCC2)C[C@H]1C[NH+](C)C ZINC000870019621 1210099728 /nfs/dbraw/zinc/09/97/28/1210099728.db2.gz KXIJNOMPQOEAAC-LMMKCTJWSA-N 2 0 366.550 0.828 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]23)C[C@H]1C[NH+](C)C ZINC000870018198 1210099750 /nfs/dbraw/zinc/09/97/50/1210099750.db2.gz WOEBZKLPHYWXMM-SFFUCWETSA-N 2 0 364.534 0.879 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2COc3ccc(O)cc3O2)C[C@H]1C[NH+](C)C ZINC000870017026 1210099778 /nfs/dbraw/zinc/09/97/78/1210099778.db2.gz FTUFOVINGBWABJ-LBTNJELSSA-N 2 0 363.458 0.730 10 0 FCAERP COC(=O)c1ccc(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000870024995 1210100022 /nfs/dbraw/zinc/10/00/22/1210100022.db2.gz KLKSOMVNVRACKA-HZPDHXFCSA-N 2 0 362.474 0.609 10 0 FCAERP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997576 1210125708 /nfs/dbraw/zinc/12/57/08/1210125708.db2.gz OLMCXFUBLUXMQN-DZUCGIPZSA-N 2 0 356.426 0.267 10 0 FCAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000872190336 1210176132 /nfs/dbraw/zinc/17/61/32/1210176132.db2.gz BCISONVAAGMHQM-TXPKVOOTSA-N 2 0 366.506 0.014 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872195139 1210177506 /nfs/dbraw/zinc/17/75/06/1210177506.db2.gz IKPGOKKGZCCVJD-QFBILLFUSA-N 2 0 362.518 0.921 10 0 FCAERP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000872197038 1210179038 /nfs/dbraw/zinc/17/90/38/1210179038.db2.gz VESSQITWKNGLIE-RIFZZMRRSA-N 2 0 358.486 0.773 10 0 FCAERP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000872254346 1210181638 /nfs/dbraw/zinc/18/16/38/1210181638.db2.gz AJHQJGDCRWMKMF-IXDOHACOSA-N 2 0 358.442 0.778 10 0 FCAERP CN(C)c1cc[nH+]cc1C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872254926 1210182229 /nfs/dbraw/zinc/18/22/29/1210182229.db2.gz GJMYLIPRSZAIMC-CVEARBPZSA-N 2 0 359.430 0.545 10 0 FCAERP O=C(c1cccc2c1CC[NH2+]C2)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872253707 1210182864 /nfs/dbraw/zinc/18/28/64/1210182864.db2.gz DZECHTRCJKQMMU-MSOLQXFVSA-N 2 0 370.453 0.730 10 0 FCAERP O=C([C@H]1[NH2+]CCc2ccccc21)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872307852 1210190963 /nfs/dbraw/zinc/19/09/63/1210190963.db2.gz LWOUGESAMPYEKP-ORQFMDKSSA-N 2 0 356.426 0.267 10 0 FCAERP CCCN1C[C@H](CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC000875676555 1210387176 /nfs/dbraw/zinc/38/71/76/1210387176.db2.gz PQRFNRXWQCEYPI-GVDBMIGSSA-N 2 0 367.538 0.626 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCc2nnn(C(C)(C)C)n2)C[C@H]1C[NH+](C)C ZINC000875705159 1210388073 /nfs/dbraw/zinc/38/80/73/1210388073.db2.gz SBJBLJBJAILENI-ZIAGYGMSSA-N 2 0 366.514 0.309 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)C[C@H]1C[NH+](C)C ZINC000875706907 1210388768 /nfs/dbraw/zinc/38/87/68/1210388768.db2.gz HRFYEJDDZHMRNG-FMKPAKJESA-N 2 0 367.494 0.350 10 0 FCAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(-n2cnnn2)c1 ZINC000925854091 1211508681 /nfs/dbraw/zinc/50/86/81/1211508681.db2.gz KJFVWDPKMJXIBO-BBRMVZONSA-N 2 0 356.430 0.998 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926298006 1211528435 /nfs/dbraw/zinc/52/84/35/1211528435.db2.gz DBILNKXJXXGEAG-NVXWUHKLSA-N 2 0 366.506 0.001 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC000926313684 1211530044 /nfs/dbraw/zinc/53/00/44/1211530044.db2.gz GJEZPGFIJYGOTC-GOEBONIOSA-N 2 0 364.490 0.922 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[C@H]1C[NH3+] ZINC000926348656 1211537688 /nfs/dbraw/zinc/53/76/88/1211537688.db2.gz UYOTUFLNTGKKCA-ZACQAIPSSA-N 2 0 366.506 0.001 10 0 FCAERP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926365032 1211539473 /nfs/dbraw/zinc/53/94/73/1211539473.db2.gz RTOFEJOEUMFQMS-DNVCBOLYSA-N 2 0 366.506 0.035 10 0 FCAERP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926389547 1211544005 /nfs/dbraw/zinc/54/40/05/1211544005.db2.gz RFTRNYWMWTYFMI-MRXNPFEDSA-N 2 0 366.506 0.287 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CCC1(C)C ZINC000926390971 1211544643 /nfs/dbraw/zinc/54/46/43/1211544643.db2.gz NQKXGLIQRYGWBC-OAHLLOKOSA-N 2 0 366.506 0.286 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC[C@H]1C[NH3+] ZINC000926393055 1211544790 /nfs/dbraw/zinc/54/47/90/1211544790.db2.gz BZIIHBVHLGWOSK-PMPSAXMXSA-N 2 0 359.474 0.562 10 0 FCAERP CCO[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C[NH+](C)C ZINC000926842443 1211556809 /nfs/dbraw/zinc/55/68/09/1211556809.db2.gz SKVLVVTYGKJGBG-MSOLQXFVSA-N 3 0 369.554 0.763 10 0 FCAERP C[NH+](C)C[C@H]1NC(=O)N(c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1=O ZINC000927267794 1211568923 /nfs/dbraw/zinc/56/89/23/1211568923.db2.gz SQBNFMRAFUENKR-DLBZAZTESA-N 2 0 357.458 0.957 10 0 FCAERP C[N@H+](CCCO)C1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CC1 ZINC000927643881 1211578342 /nfs/dbraw/zinc/57/83/42/1211578342.db2.gz XGQMPCNHWVGCNF-GOSISDBHSA-N 2 0 368.522 0.728 10 0 FCAERP Cn1nnc2c1C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)CC2 ZINC000927864124 1211587012 /nfs/dbraw/zinc/58/70/12/1211587012.db2.gz PBCDTZPLOVMGQK-KFWWJZLASA-N 2 0 363.510 0.053 10 0 FCAERP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCNCC[NH2+]CC2)c1 ZINC000927878668 1211588975 /nfs/dbraw/zinc/58/89/75/1211588975.db2.gz MHSLXYRDNUQHHN-UHFFFAOYSA-N 2 0 361.490 0.488 10 0 FCAERP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000927885428 1211590087 /nfs/dbraw/zinc/59/00/87/1211590087.db2.gz KPRYVKHUCYCVOG-FQEVSTJZSA-N 2 0 374.485 0.923 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)cc1F ZINC000927928414 1211593339 /nfs/dbraw/zinc/59/33/39/1211593339.db2.gz HRHZBAZYDPNWEB-OLZOCXBDSA-N 2 0 366.437 0.948 10 0 FCAERP CC(C)[NH+](CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C(C)C ZINC000929145020 1211619083 /nfs/dbraw/zinc/61/90/83/1211619083.db2.gz YMYSEVZOHBOKBT-DLBZAZTESA-N 2 0 368.522 0.279 10 0 FCAERP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)C[NH+]1CCCC1 ZINC000929565581 1211647296 /nfs/dbraw/zinc/64/72/96/1211647296.db2.gz SJLVDSOAMOWGMP-NVXWUHKLSA-N 2 0 366.506 0.204 10 0 FCAERP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)C[NH+]1CCCC1 ZINC000929565580 1211647471 /nfs/dbraw/zinc/64/74/71/1211647471.db2.gz SJLVDSOAMOWGMP-DOTOQJQBSA-N 2 0 366.506 0.204 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000929603051 1211649369 /nfs/dbraw/zinc/64/93/69/1211649369.db2.gz KLRMOWGUEVYKAQ-SFHVURJKSA-N 2 0 372.513 0.972 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C[NH+](C)C ZINC000929638407 1211652095 /nfs/dbraw/zinc/65/20/95/1211652095.db2.gz JQKZKRCPNULEQA-GPMSIDNRSA-N 2 0 370.538 0.696 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C[NH+](C)C ZINC000929698272 1211655764 /nfs/dbraw/zinc/65/57/64/1211655764.db2.gz HSBLNIHAXZNTEG-VVLHAWIVSA-N 2 0 370.538 0.552 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)C[NH+](C)C ZINC000929701742 1211656209 /nfs/dbraw/zinc/65/62/09/1211656209.db2.gz GTSWBFSGSMTXQL-HOTGVXAUSA-N 2 0 370.538 0.696 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[N@H+](C)C1CC1 ZINC000929960642 1211676133 /nfs/dbraw/zinc/67/61/33/1211676133.db2.gz UGNFMMLKPXBXHS-WMLDXEAASA-N 2 0 361.490 0.790 10 0 FCAERP C[C@H](CNC(=O)CN1CC[C@H](n2cccn2)C1)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000930532613 1211712837 /nfs/dbraw/zinc/71/28/37/1211712837.db2.gz UDWNPIGWFKTBNZ-SQNIBIBYSA-N 2 0 371.489 0.778 10 0 FCAERP C[NH+]1CCC(OCC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000930798080 1211722260 /nfs/dbraw/zinc/72/22/60/1211722260.db2.gz BKHDEOHNEUFNTJ-UHFFFAOYSA-N 2 0 361.490 0.560 10 0 FCAERP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000930818950 1211723867 /nfs/dbraw/zinc/72/38/67/1211723867.db2.gz QJZSOGDRUPYYCK-KRWDZBQOSA-N 2 0 371.441 0.320 10 0 FCAERP C[NH+]1CCC2(CCN2C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000931032128 1211735772 /nfs/dbraw/zinc/73/57/72/1211735772.db2.gz IJIFQFHTUKPHCE-UHFFFAOYSA-N 2 0 362.518 0.921 10 0 FCAERP C[NH+](C[C@H](O)C1(O)CCC1)[C@H]1CC[C@H]([N@H+](C)C[C@H](O)C2(O)CCC2)CC1 ZINC000931737604 1211772244 /nfs/dbraw/zinc/77/22/44/1211772244.db2.gz KRBFAPBNMMMJRJ-XSLAGTTESA-N 2 0 370.534 0.713 10 0 FCAERP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001490843998 1211960986 /nfs/dbraw/zinc/96/09/86/1211960986.db2.gz VKCPDUXFERAPCW-MANSERQUSA-N 2 0 361.486 0.530 10 0 FCAERP O=C(NCCN1CCN(c2ccccc2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654378835 1212201305 /nfs/dbraw/zinc/20/13/05/1212201305.db2.gz HNYAYWXDTGNWEM-RBUKOAKNSA-N 2 0 373.501 0.269 10 0 FCAERP C[N@@H+]1CCC[C@@](O)(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000900014481 1217955029 /nfs/dbraw/zinc/95/50/29/1217955029.db2.gz YDTNYEOHUZHWEB-OAQYLSRUSA-N 2 0 374.529 0.767 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)c1 ZINC000900530145 1218002068 /nfs/dbraw/zinc/00/20/68/1218002068.db2.gz VJXQIJOFGRGBGP-LPHOPBHVSA-N 2 0 362.474 0.049 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NC[C@@H]1Cc3ccccc3O1)C2 ZINC000903492345 1218426126 /nfs/dbraw/zinc/42/61/26/1218426126.db2.gz NQTHPZAIHPTARP-QOIOWGMHSA-N 2 0 373.453 0.319 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@H]1CC[NH3+] ZINC000903756040 1218517158 /nfs/dbraw/zinc/51/71/58/1218517158.db2.gz HMYZXBQLRYHCON-HZPDHXFCSA-N 2 0 368.522 0.389 10 0 FCAERP [NH3+][C@H]1CCCCCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC000903779116 1218523784 /nfs/dbraw/zinc/52/37/84/1218523784.db2.gz VXNHMMCNEJPDBB-HNNXBMFYSA-N 2 0 359.474 0.897 10 0 FCAERP NC(=O)[C@H](C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000903925027 1218566675 /nfs/dbraw/zinc/56/66/75/1218566675.db2.gz BROBOGALHQGCAS-GOEBONIOSA-N 2 0 360.437 0.776 10 0 FCAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(=O)NCc1ccco1 ZINC001491018877 1220071253 /nfs/dbraw/zinc/07/12/53/1220071253.db2.gz SITBMRCACXZXHQ-LVNYTYFRSA-N 2 0 362.474 0.861 10 0 FCAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1(C)C ZINC001118505545 1221790848 /nfs/dbraw/zinc/79/08/48/1221790848.db2.gz GCLFGKXBVKPCQL-BEFAXECRSA-N 2 0 368.522 0.626 10 0 FCAERP O=C(C1CC[NH+](C2CC2)CC1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001119003243 1221854090 /nfs/dbraw/zinc/85/40/90/1221854090.db2.gz JZGWNYGXPQJRRX-SJORKVTESA-N 2 0 362.474 0.644 10 0 FCAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001123570950 1222340634 /nfs/dbraw/zinc/34/06/34/1222340634.db2.gz LPVXRVIFBTZTDS-ZIFCJYIRSA-N 2 0 368.522 0.632 10 0 FCAERP C[N@@H+]1C[C@@H]2CN(c3nnc(C4=[NH+]O[C@@H](CO)C4)n3CC3CC3)C[C@]2(C)C1 ZINC001123674177 1222349050 /nfs/dbraw/zinc/34/90/50/1222349050.db2.gz VVZNHVKMXMQJGS-LBTNJELSSA-N 2 0 360.462 0.561 10 0 FCAERP C[C@H](CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC001123737548 1222354028 /nfs/dbraw/zinc/35/40/28/1222354028.db2.gz ZIWGNNRTMPTBGE-OAHLLOKOSA-N 2 0 363.510 0.907 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000841215843 1222814170 /nfs/dbraw/zinc/81/41/70/1222814170.db2.gz BVXGPAXPIZKDGL-GOEBONIOSA-N 2 0 359.474 0.491 10 0 FCAERP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000841298227 1222818061 /nfs/dbraw/zinc/81/80/61/1222818061.db2.gz YASYMWRMKKXXEI-HNNXBMFYSA-N 2 0 359.474 0.635 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849579783 1245402957 /nfs/dbraw/zinc/40/29/57/1245402957.db2.gz SGLVMISGUMQMIT-SCTDSRPQSA-N 2 0 363.506 0.417 10 0 FCAERP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)nc2)C1 ZINC000897103377 1245465506 /nfs/dbraw/zinc/46/55/06/1245465506.db2.gz HXOOHJFKOSBHAS-SJORKVTESA-N 2 0 359.474 0.881 10 0 FCAERP CC(C)[NH+]1CCN(CCCC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)CC1 ZINC000911546687 1245510850 /nfs/dbraw/zinc/51/08/50/1245510850.db2.gz WIQFCPBKGFCFLA-QGZVFWFLSA-N 2 0 367.538 0.371 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000918477839 1245578580 /nfs/dbraw/zinc/57/85/80/1245578580.db2.gz LVDFSZVAGVYFPV-QGZVFWFLSA-N 2 0 373.501 0.977 10 0 FCAERP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC000918479216 1245579306 /nfs/dbraw/zinc/57/93/06/1245579306.db2.gz ZNCDOCBXYLAKFF-QGZVFWFLSA-N 2 0 373.501 0.977 10 0 FCAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000923412989 1245718235 /nfs/dbraw/zinc/71/82/35/1245718235.db2.gz CDTFEZIXTZVBRK-CXUGXGMPSA-N 2 0 365.405 0.432 10 0 FCAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC(=O)NC[C@@H]1Cc3ccccc3O1)CC2 ZINC000923448938 1245721117 /nfs/dbraw/zinc/72/11/17/1245721117.db2.gz INWRLVADNWBTKX-IRXDYDNUSA-N 2 0 359.470 0.936 10 0 FCAERP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923478855 1245723037 /nfs/dbraw/zinc/72/30/37/1245723037.db2.gz SRNYIGXTTODIHA-UTKZUKDTSA-N 2 0 374.529 0.941 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)CC[N@@H+]1C ZINC000941147133 1246477979 /nfs/dbraw/zinc/47/79/79/1246477979.db2.gz YOIUEXUJUNEGGH-KBAYOESNSA-N 2 0 362.518 0.729 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCO1 ZINC001327941497 1265459392 /nfs/dbraw/zinc/45/93/92/1265459392.db2.gz STXLRMLPPDQNOZ-FCEWJHQRSA-N 2 0 366.506 0.143 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001328352916 1265538457 /nfs/dbraw/zinc/53/84/57/1265538457.db2.gz ZUOGKHZZZLZXCC-SJORKVTESA-N 2 0 365.522 0.903 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C2CC3CC(C2)CC1C3 ZINC001328769877 1265609545 /nfs/dbraw/zinc/60/95/45/1265609545.db2.gz FVJSGHKOJUNBHH-RSQNZQOJSA-N 2 0 374.529 0.953 10 0 FCAERP CO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H](C)C1 ZINC001329493386 1265767568 /nfs/dbraw/zinc/76/75/68/1265767568.db2.gz DASMKUJDHDGMPR-YLFCFFPRSA-N 2 0 368.522 0.210 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC([NH2+]C)CC2)CC1 ZINC001329612676 1265792278 /nfs/dbraw/zinc/79/22/78/1265792278.db2.gz MVWCZQYEVBTDQB-UHFFFAOYSA-N 2 0 366.506 0.300 10 0 FCAERP C[C@H](CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC001520035994 1265831742 /nfs/dbraw/zinc/83/17/42/1265831742.db2.gz GMUPQCZLUROLQD-DLBZAZTESA-N 3 0 356.559 0.194 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001520308439 1265903868 /nfs/dbraw/zinc/90/38/68/1265903868.db2.gz NHWFLLQCSQZHHZ-MSOLQXFVSA-N 2 0 364.534 0.977 10 0 FCAERP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001330024503 1265928203 /nfs/dbraw/zinc/92/82/03/1265928203.db2.gz QZSFWBYSFYQTIJ-DOTOQJQBSA-N 2 0 368.522 0.450 10 0 FCAERP C[NH+](C)C1(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001520729423 1265980826 /nfs/dbraw/zinc/98/08/26/1265980826.db2.gz PDZBJDUSDYCOAQ-QFBILLFUSA-N 2 0 368.522 0.776 10 0 FCAERP Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001330748052 1266089667 /nfs/dbraw/zinc/08/96/67/1266089667.db2.gz GKNHZNIXDZDFPT-HUUCEWRRSA-N 2 0 374.489 0.071 10 0 FCAERP CC[N@H+](CCNC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC001331584829 1266242970 /nfs/dbraw/zinc/24/29/70/1266242970.db2.gz OHGOSNUKVQCEDY-QGZVFWFLSA-N 2 0 366.506 0.204 10 0 FCAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)C1 ZINC001521950923 1266254307 /nfs/dbraw/zinc/25/43/07/1266254307.db2.gz BKFWBBSTIJCPKX-GVDBMIGSSA-N 2 0 368.522 0.117 10 0 FCAERP O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001331748447 1266276209 /nfs/dbraw/zinc/27/62/09/1266276209.db2.gz ZWRSLQPQWWUORO-LJQANCHMSA-N 2 0 373.497 0.850 10 0 FCAERP CC(C)CN(C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC001335548823 1259710690 /nfs/dbraw/zinc/71/06/90/1259710690.db2.gz RVXNYASNBRLKEL-HZPDHXFCSA-N 2 0 352.523 0.831 10 0 FCAERP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC001335693128 1259788649 /nfs/dbraw/zinc/78/86/49/1259788649.db2.gz YWSUREJKNSZRNM-CQSZACIVSA-N 2 0 362.478 0.546 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1cccc2c1C[NH2+]CC2 ZINC001335710324 1259798421 /nfs/dbraw/zinc/79/84/21/1259798421.db2.gz BIMFRGLXSHNYRL-LJQANCHMSA-N 2 0 358.442 0.409 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCc2cnc3n2CCOC3)C[C@H]1C[NH+](C)C ZINC001256248475 1259939876 /nfs/dbraw/zinc/93/98/76/1259939876.db2.gz AWPKNKKQWHVAFM-HUUCEWRRSA-N 2 0 364.494 0.294 10 0 FCAERP O=C(Nc1cccc(C[NH+]2CCCC2)c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001261548068 1260157560 /nfs/dbraw/zinc/15/75/60/1260157560.db2.gz CZPRYDQDZBWUIN-ZWKOTPCHSA-N 2 0 372.469 0.498 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001261560025 1260161384 /nfs/dbraw/zinc/16/13/84/1260161384.db2.gz FNHQFFIRTGDYRV-HYVNUMGLSA-N 2 0 366.506 0.202 10 0 FCAERP Cc1cncn1CC(=O)NCC1(NC(=O)Cn2cncc2C)CCOCC1 ZINC001261801440 1260191553 /nfs/dbraw/zinc/19/15/53/1260191553.db2.gz MSRDGHRLHAMVIM-UHFFFAOYSA-N 2 0 374.445 0.178 10 0 FCAERP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001266015978 1260421883 /nfs/dbraw/zinc/42/18/83/1260421883.db2.gz OZXCGKQGQVAURE-JQHSSLGASA-N 2 0 358.486 0.516 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2ccc(CO)cc2)CC[N@@H+]1C ZINC001278762701 1260727397 /nfs/dbraw/zinc/72/73/97/1260727397.db2.gz ZOFKKQOEYDPMPY-CEXWTWQISA-N 2 0 363.502 0.818 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)COCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001280889756 1261076252 /nfs/dbraw/zinc/07/62/52/1261076252.db2.gz LOWSAVSSEXHWTQ-NVXWUHKLSA-N 2 0 368.522 0.354 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001281255951 1261098287 /nfs/dbraw/zinc/09/82/87/1261098287.db2.gz GFLWDKRHODFCKC-OWCLPIDISA-N 2 0 368.522 0.137 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001281665732 1261139649 /nfs/dbraw/zinc/13/96/49/1261139649.db2.gz PRFMSVAVQFYSDO-BRWVUGGUSA-N 2 0 368.522 0.281 10 0 FCAERP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O)[NH+](C)C ZINC001281698605 1261159692 /nfs/dbraw/zinc/15/96/92/1261159692.db2.gz KOXSUCIWZOXSSH-OAGGEKHMSA-N 2 0 368.522 0.135 10 0 FCAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001281915316 1261283653 /nfs/dbraw/zinc/28/36/53/1261283653.db2.gz ZSLIYBVGQJCYEU-ZACQAIPSSA-N 2 0 368.522 0.279 10 0 FCAERP C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)CC1 ZINC001282297192 1261406696 /nfs/dbraw/zinc/40/66/96/1261406696.db2.gz TYZMFGPVLQZMAJ-IKGGRYGDSA-N 2 0 362.518 0.587 10 0 FCAERP CCNC(=O)C[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001282581812 1261540342 /nfs/dbraw/zinc/54/03/42/1261540342.db2.gz GVOBVIDRUZPZSJ-NVXWUHKLSA-N 2 0 368.522 0.450 10 0 FCAERP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1O ZINC001289190205 1262145262 /nfs/dbraw/zinc/14/52/62/1262145262.db2.gz WXYWVARVFDHYAY-HZPDHXFCSA-N 2 0 368.522 0.281 10 0 FCAERP CO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001289541916 1262243787 /nfs/dbraw/zinc/24/37/87/1262243787.db2.gz IVQJSQFKTJIXCG-BZUAXINKSA-N 2 0 366.506 0.010 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1O ZINC001289629974 1262278512 /nfs/dbraw/zinc/27/85/12/1262278512.db2.gz GWBXIMBFIPGWIU-RYRKJORJSA-N 2 0 368.522 0.137 10 0 FCAERP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001289693731 1262311411 /nfs/dbraw/zinc/31/14/11/1262311411.db2.gz YEDMESRGGIRBEV-ZACQAIPSSA-N 2 0 368.522 0.281 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)COC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC001293574806 1262719461 /nfs/dbraw/zinc/71/94/61/1262719461.db2.gz QISKEFIKEBNBKE-BFYDXBDKSA-N 2 0 366.506 0.155 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@H]32)CC[N@@H+]1C ZINC001295347395 1262762847 /nfs/dbraw/zinc/76/28/47/1262762847.db2.gz HSDSPOSCFPFTSD-FIDHJVLJSA-N 2 0 362.518 0.632 10 0 FCAERP Cn1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)COC3CC[NH+](C)CC3)C2)n1 ZINC001479481382 1263216604 /nfs/dbraw/zinc/21/66/04/1263216604.db2.gz HAYIIDZFCXOAQM-JKSUJKDBSA-N 2 0 363.506 0.905 10 0 FCAERP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001479495860 1263223518 /nfs/dbraw/zinc/22/35/18/1263223518.db2.gz RLXLDOQNRSFDIZ-YESZJQIVSA-N 2 0 363.506 0.763 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001479531167 1263239510 /nfs/dbraw/zinc/23/95/10/1263239510.db2.gz VCXYVBYIUYIYOM-IXDOHACOSA-N 2 0 366.506 0.060 10 0 FCAERP CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001479540677 1263245533 /nfs/dbraw/zinc/24/55/33/1263245533.db2.gz RXXNTDLMIYOPKO-GDBMZVCRSA-N 2 0 364.494 0.110 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001479547508 1263249293 /nfs/dbraw/zinc/24/92/93/1263249293.db2.gz UIMAGEJWNOZTLQ-BFYDXBDKSA-N 2 0 354.495 0.045 10 0 FCAERP C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001479577969 1263262313 /nfs/dbraw/zinc/26/23/13/1263262313.db2.gz ACCKVUFAOXYHGP-CABCVRRESA-N 2 0 366.510 0.557 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001479673426 1263339880 /nfs/dbraw/zinc/33/98/80/1263339880.db2.gz MTKWCXWDQXGVEV-IXDOHACOSA-N 2 0 360.506 0.888 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CCOCC[NH+](C)[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001479677326 1263343669 /nfs/dbraw/zinc/34/36/69/1263343669.db2.gz JKSVOWOVKFFZDK-ARFHVFGLSA-N 2 0 354.495 0.012 10 0 FCAERP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001316672481 1263414799 /nfs/dbraw/zinc/41/47/99/1263414799.db2.gz VMDLKEGOVYHXGM-KSZLIROESA-N 2 0 365.522 0.927 10 0 FCAERP CCNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001480020259 1263421924 /nfs/dbraw/zinc/42/19/24/1263421924.db2.gz HBUSOHIAEYAPDK-RRFJBIMHSA-N 2 0 367.494 0.047 10 0 FCAERP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001316703816 1263429585 /nfs/dbraw/zinc/42/95/85/1263429585.db2.gz KMBWIUNGDLZGHM-KFWWJZLASA-N 2 0 369.510 0.389 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001484676833 1263481556 /nfs/dbraw/zinc/48/15/56/1263481556.db2.gz DOKLWPNRKYBZBV-OKZBNKHCSA-N 2 0 363.506 0.510 10 0 FCAERP CCC1([NH2+]CC(=O)NC2CC2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484812074 1263486992 /nfs/dbraw/zinc/48/69/92/1263486992.db2.gz KCGLMZAOBQXMGC-GDBMZVCRSA-N 2 0 350.507 0.966 10 0 FCAERP CCCNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001317013923 1263499107 /nfs/dbraw/zinc/49/91/07/1263499107.db2.gz QGDSLOWZSSIDCX-YUELXQCFSA-N 2 0 367.494 0.047 10 0 FCAERP Cc1noc(CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001486280678 1263528533 /nfs/dbraw/zinc/52/85/33/1263528533.db2.gz YCDWVLRCGWKOMB-VHDGCEQUSA-N 2 0 353.467 0.060 10 0 FCAERP O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001319250690 1263670303 /nfs/dbraw/zinc/67/03/03/1263670303.db2.gz ZEWDVXRQDUEMBD-UHFFFAOYSA-N 2 0 372.429 0.169 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCOC[C@H]3CCCO3)C2)CC[N@@H+]1C ZINC001494553218 1263773273 /nfs/dbraw/zinc/77/32/73/1263773273.db2.gz YUINYBWQYRPSAV-FGTMMUONSA-N 2 0 353.507 0.960 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCC2CC[NH+](C[C@H](O)COC)CC2)CC[N@@H+]1C ZINC001495518263 1263821900 /nfs/dbraw/zinc/82/19/00/1263821900.db2.gz ZQUROOCTVXOJKC-OKZBNKHCSA-N 2 0 355.523 0.942 10 0 FCAERP C[C@H](C[NH2+]CC1(CS(C)(=O)=O)CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496063061 1263852930 /nfs/dbraw/zinc/85/29/30/1263852930.db2.gz YEJCULMHYJPHEC-RBSFLKMASA-N 2 0 359.536 0.588 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\CNCC(=O)Nc2cc(C)no2)CC[N@@H+]1C ZINC001321067682 1263902231 /nfs/dbraw/zinc/90/22/31/1263902231.db2.gz XJLWHRFPZGBYHS-RWCKICOTSA-N 2 0 363.462 0.914 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@@H](C(N)=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC001321062884 1263902672 /nfs/dbraw/zinc/90/26/72/1263902672.db2.gz DTYUHRDVZOUCHB-USCUANRRSA-N 2 0 362.449 0.954 10 0 FCAERP Cc1nonc1CNC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001501257863 1264115413 /nfs/dbraw/zinc/11/54/13/1264115413.db2.gz HGHWAAWIRMHSNA-GDBMZVCRSA-N 2 0 364.494 0.388 10 0 FCAERP COc1ncc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)n1 ZINC001501459447 1264123311 /nfs/dbraw/zinc/12/33/11/1264123311.db2.gz ONJCBAWDMDDZRY-GDBMZVCRSA-N 2 0 365.478 0.044 10 0 FCAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001501857885 1264146083 /nfs/dbraw/zinc/14/60/83/1264146083.db2.gz OMJSUOPPXSPULC-VMIJOWMCSA-N 2 0 350.507 0.988 10 0 FCAERP CCCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1 ZINC001502053901 1264159533 /nfs/dbraw/zinc/15/95/33/1264159533.db2.gz QOBUPJXBSSIZNI-YESZJQIVSA-N 2 0 368.522 0.450 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001505497131 1264274242 /nfs/dbraw/zinc/27/42/42/1264274242.db2.gz ARUZCSWXZGWNKW-SJJHQCBESA-N 2 0 350.507 0.727 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001505497211 1264275092 /nfs/dbraw/zinc/27/50/92/1264275092.db2.gz CJGFWOYBERXKNK-IKWCTNDRSA-N 2 0 364.412 0.490 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CCOCCNC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001510186045 1264485116 /nfs/dbraw/zinc/48/51/16/1264485116.db2.gz KNGAYNKLOIRZSA-BZUAXINKSA-N 2 0 354.495 0.012 10 0 FCAERP CO[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001513400320 1265100179 /nfs/dbraw/zinc/10/01/79/1265100179.db2.gz JSTZWLMKFNIZKU-GVDBMIGSSA-N 2 0 368.522 0.402 10 0 FCAERP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001513422716 1265113741 /nfs/dbraw/zinc/11/37/41/1265113741.db2.gz YDOBJFBGXVKQSZ-JFIYKMOQSA-N 2 0 368.522 0.401 10 0 FCAERP 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CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOC[C@@H]4CCCO4)C[C@H]32)CC[N@@H+]1C ZINC001566972000 1269671869 /nfs/dbraw/zinc/67/18/69/1269671869.db2.gz DIPVOUWVHQMFRT-LOXVXLSQSA-N 2 0 365.518 0.959 10 0 FCAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCNC(=O)C(F)(F)F ZINC001567016803 1269674825 /nfs/dbraw/zinc/67/48/25/1269674825.db2.gz NNKUPXDKAKRMNI-IJLUTSLNSA-N 2 0 352.401 0.490 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001568851318 1269751172 /nfs/dbraw/zinc/75/11/72/1269751172.db2.gz BNDIZHJYTVSTLR-XPQDNOAISA-N 2 0 366.506 0.274 10 0 FCAERP CC[C@@H]([NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1)C(N)=O ZINC001569887030 1269813870 /nfs/dbraw/zinc/81/38/70/1269813870.db2.gz XNUOLSSQCQPULW-GVDBMIGSSA-N 2 0 367.538 0.151 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC[N@@H+]1C ZINC001569933858 1269821024 /nfs/dbraw/zinc/82/10/24/1269821024.db2.gz JERKHSXFXSUXGX-OAGGEKHMSA-N 2 0 368.522 0.137 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001343370726 1269881224 /nfs/dbraw/zinc/88/12/24/1269881224.db2.gz FSKYIVIRJFZDIH-IKGGRYGDSA-N 2 0 368.522 0.279 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CCOCCNC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001572173841 1270000538 /nfs/dbraw/zinc/00/05/38/1270000538.db2.gz BDFRUHWJKUKPQK-BBWFWOEESA-N 2 0 368.522 0.402 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001572651228 1270100394 /nfs/dbraw/zinc/10/03/94/1270100394.db2.gz BFTDWLXVSVFJGD-HZPDHXFCSA-N 2 0 350.507 0.728 10 0 FCAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1O ZINC001572806151 1270169941 /nfs/dbraw/zinc/16/99/41/1270169941.db2.gz WCWHCNFUFNYSHJ-IXDOHACOSA-N 2 0 366.506 0.035 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1OC ZINC001572951132 1270392901 /nfs/dbraw/zinc/39/29/01/1270392901.db2.gz PLHMMHMEXQVHGM-HZPDHXFCSA-N 2 0 368.522 0.402 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001573216712 1270684525 /nfs/dbraw/zinc/68/45/25/1270684525.db2.gz FUCSUJTUORKPBD-BRWVUGGUSA-N 2 0 366.506 0.156 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCN1C(=O)COCC[NH+](C)C ZINC001573273578 1270729035 /nfs/dbraw/zinc/72/90/35/1270729035.db2.gz QORLEFSULYRRAL-JKSUJKDBSA-N 2 0 368.522 0.545 10 0 FCAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)[C@@H]1C ZINC001573492806 1270793055 /nfs/dbraw/zinc/79/30/55/1270793055.db2.gz FMJWWRFZBGQWIQ-IXDOHACOSA-N 2 0 368.522 0.543 10 0 FCAERP C[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001574239620 1271111751 /nfs/dbraw/zinc/11/17/51/1271111751.db2.gz MDGOHFSSODLOQC-IKGGRYGDSA-N 2 0 350.507 0.918 10 0 FCAERP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C[NH+](C)C)CC1)[NH+](C)C ZINC001574315122 1271192222 /nfs/dbraw/zinc/19/22/22/1271192222.db2.gz TXHKVGAPAKDVHA-UGUYLWEFSA-N 2 0 350.507 0.917 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(Cc3cncn3C)CC2)CC[N@@H+]1C ZINC001713068502 1287261523 /nfs/dbraw/zinc/26/15/23/1287261523.db2.gz YIKFDXRSHOKLTN-SJLPKXTDSA-N 2 0 362.522 0.384 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1C ZINC001713311641 1287272102 /nfs/dbraw/zinc/27/21/02/1287272102.db2.gz UQORGGDWWQRQOH-HZSPNIEDSA-N 2 0 367.494 0.141 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCc2nnn(C(C)(C)C)n2)CC[N@@H+]1C ZINC001713310700 1287272837 /nfs/dbraw/zinc/27/28/37/1287272837.db2.gz AAISXMQTAVKRJD-QLFBSQMISA-N 2 0 365.526 0.795 10 0 FCAERP CC(C)NC(=O)NCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713907332 1287305887 /nfs/dbraw/zinc/30/58/87/1287305887.db2.gz WAWNMZJWEMVEPQ-WCXIOVBPSA-N 2 0 365.522 0.709 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)Nc3ccc(O)cc3)C2)CC[N@@H+]1C ZINC001713987034 1287308700 /nfs/dbraw/zinc/30/87/00/1287308700.db2.gz AONVVBFCEKCECS-JJAZEVLHSA-N 2 0 360.458 0.908 10 0 FCAERP 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MFVMNAYDNTWTAG-UHFFFAOYSA-N 2 0 362.518 0.857 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000419473303 246177240 /nfs/dbraw/zinc/17/72/40/246177240.db2.gz AEFWOWVQAVAUGW-TWMKSMIVSA-N 2 0 352.523 0.975 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000419483053 246178964 /nfs/dbraw/zinc/17/89/64/246178964.db2.gz RFXUTYNMPOLGNU-YYIAUSFCSA-N 2 0 352.523 0.975 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419535529 246194990 /nfs/dbraw/zinc/19/49/90/246194990.db2.gz LHNPCCATBQDEED-KRWDZBQOSA-N 2 0 366.506 0.204 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000419540081 246197812 /nfs/dbraw/zinc/19/78/12/246197812.db2.gz ZHIYLYBOCZMECU-MAUKXSAKSA-N 2 0 358.486 0.834 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419665753 246237819 /nfs/dbraw/zinc/23/78/19/246237819.db2.gz OZNOOXWKHNZHCA-WMLDXEAASA-N 2 0 359.474 0.528 10 0 FCAERP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419830937 246310743 /nfs/dbraw/zinc/31/07/43/246310743.db2.gz QXGVOMLWLYKCQS-IRXDYDNUSA-N 2 0 359.474 0.421 10 0 FCAERP CN(C(=O)C(=O)NCCC[NH2+]C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419841211 246315134 /nfs/dbraw/zinc/31/51/34/246315134.db2.gz FNOAUZSGJIICGG-SFHVURJKSA-N 2 0 358.486 0.978 10 0 FCAERP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419916896 246369565 /nfs/dbraw/zinc/36/95/65/246369565.db2.gz FJEUIWGDBWHXNA-MAUKXSAKSA-N 2 0 374.485 0.514 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419890121 246353672 /nfs/dbraw/zinc/35/36/72/246353672.db2.gz MSDZCWVEMUNETI-DOTOQJQBSA-N 2 0 350.507 0.825 10 0 FCAERP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000419975700 246397331 /nfs/dbraw/zinc/39/73/31/246397331.db2.gz LORBSDCXLCWVGY-INIZCTEOSA-N 2 0 367.538 0.152 10 0 FCAERP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000419994826 246406352 /nfs/dbraw/zinc/40/63/52/246406352.db2.gz HNROLNDBYVRHAO-MRXNPFEDSA-N 2 0 350.507 0.827 10 0 FCAERP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419939034 246378915 /nfs/dbraw/zinc/37/89/15/246378915.db2.gz QITYMKDAMCNVBF-CQSZACIVSA-N 2 0 352.504 0.897 10 0 FCAERP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423358183 247011658 /nfs/dbraw/zinc/01/16/58/247011658.db2.gz BIHJNOHUNDWVMG-GOEBONIOSA-N 2 0 364.515 0.849 10 0 FCAERP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423414692 247022421 /nfs/dbraw/zinc/02/24/21/247022421.db2.gz NLUBYJLVLLXSOG-IRXDYDNUSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[C@@]1(C)C[NH3+] ZINC000423548474 247048222 /nfs/dbraw/zinc/04/82/22/247048222.db2.gz DFABBUOBRJUHHW-TXDAXLQXSA-N 2 0 362.518 0.905 10 0 FCAERP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423634440 247086454 /nfs/dbraw/zinc/08/64/54/247086454.db2.gz NATWATXZVUGSAN-IYBDPMFKSA-N 2 0 362.474 0.913 10 0 FCAERP C[C@H]1CC2(CN1C(=O)C(=O)NCCCC[NH+]1CCOCC1)CC[NH2+]CC2 ZINC000424525224 247250878 /nfs/dbraw/zinc/25/08/78/247250878.db2.gz QQNDSZLHFJJHAL-INIZCTEOSA-N 2 0 366.506 0.206 10 0 FCAERP C[N@@H+]1CCN(CCNC(=O)NCCCC[NH+]2CCOCC2)CC1(C)C ZINC000440992710 248231206 /nfs/dbraw/zinc/23/12/06/248231206.db2.gz ZVABNPXJOFAPHQ-UHFFFAOYSA-N 2 0 355.527 0.424 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CCN1CCO ZINC000446180050 248384188 /nfs/dbraw/zinc/38/41/88/248384188.db2.gz RTPJPJOPHOTJOI-HNNXBMFYSA-N 2 0 362.474 0.254 10 0 FCAERP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452791928 249331991 /nfs/dbraw/zinc/33/19/91/249331991.db2.gz FNVPITGUQJYEIX-KRWDZBQOSA-N 2 0 353.507 0.985 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)CN2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000469901456 250011906 /nfs/dbraw/zinc/01/19/06/250011906.db2.gz ZPGKDNDTGRDTHE-ROUUACIJSA-N 2 0 354.539 0.877 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000471207022 250092358 /nfs/dbraw/zinc/09/23/58/250092358.db2.gz HYTABDVMCNIZNB-ROUUACIJSA-N 2 0 354.539 0.731 10 0 FCAERP C[NH+](C)CCOCCNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000471637302 250110684 /nfs/dbraw/zinc/11/06/84/250110684.db2.gz VUQCEHVWKYZHEV-KRWDZBQOSA-N 2 0 355.527 0.376 10 0 FCAERP C[NH+](C)CCOCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000471663559 250113896 /nfs/dbraw/zinc/11/38/96/250113896.db2.gz QOIHZHNWWCVRFH-JWTNVVGKSA-N 2 0 367.538 0.517 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000473030865 250195182 /nfs/dbraw/zinc/19/51/82/250195182.db2.gz ZAJRDZNAUOJALV-UHFFFAOYSA-N 2 0 367.538 0.071 10 0 FCAERP CC1=CC[NH+](CCNC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000481258809 250326841 /nfs/dbraw/zinc/32/68/41/250326841.db2.gz VXUZENRPTSRICG-IRXDYDNUSA-N 2 0 350.507 0.991 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000074616850 208057030 /nfs/dbraw/zinc/05/70/30/208057030.db2.gz LROPUSQESUSXRW-SFHVURJKSA-N 2 0 369.554 0.766 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([NH+](C)C)CC2)CC1=O ZINC000105319264 208196074 /nfs/dbraw/zinc/19/60/74/208196074.db2.gz MYPDXKDHAHJVGH-NVXWUHKLSA-N 2 0 350.507 0.872 10 0 FCAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)N1CCNC1=O ZINC000112550084 208296812 /nfs/dbraw/zinc/29/68/12/208296812.db2.gz MFLXBIOQAIBRRQ-YJBOKZPZSA-N 2 0 374.485 0.962 10 0 FCAERP CN1CCN(S(=O)(=O)c2ccccc2CNCc2cncnc2)CC1 ZINC000116922197 208337352 /nfs/dbraw/zinc/33/73/52/208337352.db2.gz LULMCQFZFRZWAK-UHFFFAOYSA-N 2 0 361.471 0.703 10 0 FCAERP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1=O ZINC000180124795 209091077 /nfs/dbraw/zinc/09/10/77/209091077.db2.gz ACFYTKFJWPOGNS-LMMKCTJWSA-N 2 0 358.486 0.958 10 0 FCAERP COC(=O)[C@@H]1CN(C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)CC[N@H+](C)C1 ZINC000413250041 533480276 /nfs/dbraw/zinc/48/02/76/533480276.db2.gz QIIRRLDTBALPHT-XHSDSOJGSA-N 2 0 354.495 0.996 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000188680642 229249182 /nfs/dbraw/zinc/24/91/82/229249182.db2.gz UFVVYYDTWZVHTO-CVEARBPZSA-N 2 0 356.511 0.584 10 0 FCAERP C[NH+](C)C1(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCOCC1 ZINC000073323175 488384214 /nfs/dbraw/zinc/38/42/14/488384214.db2.gz NKQPSOZLZXHRME-UHFFFAOYSA-N 2 0 361.490 0.674 10 0 FCAERP C[C@@H](CNC(=O)NCCCC[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000073676384 488385765 /nfs/dbraw/zinc/38/57/65/488385765.db2.gz BKSPWRKSBNREQO-KRWDZBQOSA-N 2 0 355.527 0.282 10 0 FCAERP CC[NH+]1CCN(CC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000074067615 488387469 /nfs/dbraw/zinc/38/74/69/488387469.db2.gz RKMJVICOSNWGJO-UHFFFAOYSA-N 2 0 365.566 0.690 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000077825475 488418292 /nfs/dbraw/zinc/41/82/92/488418292.db2.gz LCEZYMCKCDKRRV-QGZVFWFLSA-N 2 0 361.490 0.927 10 0 FCAERP C[C@H]1C[NH+](CCCNC(=O)NCCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000192475127 488422499 /nfs/dbraw/zinc/42/24/99/488422499.db2.gz YZMISBPMGHFDGK-IRXDYDNUSA-N 2 0 356.511 0.897 10 0 FCAERP C[NH+]1CCC[C@@H]1CNC(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@H+]2C)n1 ZINC000194704077 488433759 /nfs/dbraw/zinc/43/37/59/488433759.db2.gz AOLODKUJEQVPAD-GASCZTMLSA-N 2 0 359.474 0.730 10 0 FCAERP CC[NH+]1CCN(CC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000081305938 488440809 /nfs/dbraw/zinc/44/08/09/488440809.db2.gz WVMCAZMAAKWQJP-UHFFFAOYSA-N 2 0 352.523 0.585 10 0 FCAERP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000245703264 488465542 /nfs/dbraw/zinc/46/55/42/488465542.db2.gz RHMPFQSEQHTPLP-VQHPVUNQSA-N 2 0 350.507 0.824 10 0 FCAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000246986726 488479695 /nfs/dbraw/zinc/47/96/95/488479695.db2.gz JFCZYMZCLFGMTA-OALUTQOASA-N 2 0 372.513 0.924 10 0 FCAERP C[C@H](O)CN1CC[N@H+](CCCCN2CC[NH+](C[C@H](C)O)[C@H](C)C2)C[C@H]1C ZINC000246985153 488479922 /nfs/dbraw/zinc/47/99/22/488479922.db2.gz MDIRQHQKRPPVDK-ZRNYENFQSA-N 2 0 370.582 0.540 10 0 FCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000247291400 488484246 /nfs/dbraw/zinc/48/42/46/488484246.db2.gz UFIAGBKCKFCKRS-HZPDHXFCSA-N 2 0 351.495 0.419 10 0 FCAERP CC[C@@H]1CN(C(=O)NC2CC[NH+](CCOC)CC2)CC[N@@H+]1C[C@H](C)O ZINC000248465389 488497734 /nfs/dbraw/zinc/49/77/34/488497734.db2.gz ZBWAXSFBICVWKB-DOTOQJQBSA-N 2 0 356.511 0.584 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000249211198 488507944 /nfs/dbraw/zinc/50/79/44/488507944.db2.gz SNBVAZHUJQVLLT-GJZGRUSLSA-N 2 0 364.494 0.572 10 0 FCAERP CC[C@H](O)C[NH+]1CCN(C/C=C\CN2CC[NH+](C[C@@H](O)CC)CC2)CC1 ZINC000255472780 488522501 /nfs/dbraw/zinc/52/25/01/488522501.db2.gz GWNODHJRYNTVQW-XHHZUUQWSA-N 2 0 368.566 0.320 10 0 FCAERP O=C(NC[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1)[C@H]1CCC[NH2+]1 ZINC000262419954 488569404 /nfs/dbraw/zinc/56/94/04/488569404.db2.gz RQGUUUTYAKQDJA-AXVVYFOYSA-N 2 0 362.518 0.873 10 0 FCAERP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cn1 ZINC000262679370 488585949 /nfs/dbraw/zinc/58/59/49/488585949.db2.gz VUCXVIRAPGWIAN-IMJJTQAJSA-N 2 0 362.478 0.420 10 0 FCAERP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC(C)(C(N)=O)C1 ZINC000563066077 491211989 /nfs/dbraw/zinc/21/19/89/491211989.db2.gz IMSHCIMTUPPBPT-HNNXBMFYSA-N 2 0 358.486 0.963 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000171898726 488828426 /nfs/dbraw/zinc/82/84/26/488828426.db2.gz URUVGJAMRHYWMC-IRXDYDNUSA-N 2 0 356.511 0.753 10 0 FCAERP CN1CCO[C@H](C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000173468042 488842964 /nfs/dbraw/zinc/84/29/64/488842964.db2.gz KAENKZOINCSFNW-OALUTQOASA-N 2 0 361.486 0.879 10 0 FCAERP C[NH+]1CCN(c2cc(CNC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)ccn2)CC1 ZINC000173763516 488845158 /nfs/dbraw/zinc/84/51/58/488845158.db2.gz GTBPKUUKDZKJJR-GOSISDBHSA-N 2 0 370.501 0.989 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176184056 488857663 /nfs/dbraw/zinc/85/76/63/488857663.db2.gz PQKOXTBJPRHYON-DLBZAZTESA-N 2 0 354.495 0.461 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1nnc(OC)s1 ZINC000554951486 491233749 /nfs/dbraw/zinc/23/37/49/491233749.db2.gz XBJPCMGEQGQEHD-LBPRGKRZSA-N 2 0 356.496 1.427 10 0 FCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000369883163 489287527 /nfs/dbraw/zinc/28/75/27/489287527.db2.gz JJJGVIUCYAHIKW-GMBSWORKSA-N 2 0 359.474 0.962 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000563451267 491248036 /nfs/dbraw/zinc/24/80/36/491248036.db2.gz KXHHJMJUKNFDEE-LJQANCHMSA-N 2 0 365.522 0.762 10 0 FCAERP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000286050262 489350248 /nfs/dbraw/zinc/35/02/48/489350248.db2.gz RZMGLUAFQLKGRL-IRXDYDNUSA-N 2 0 362.474 0.242 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC3CCC2(C[NH3+])CC3)C1 ZINC000563550473 491254290 /nfs/dbraw/zinc/25/42/90/491254290.db2.gz ZZJLUWFKDUBWQG-HFCFLWKCSA-N 2 0 352.523 0.663 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000563623560 491259365 /nfs/dbraw/zinc/25/93/65/491259365.db2.gz JFLJJUDPPAEZPT-MAUKXSAKSA-N 2 0 358.486 0.871 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423259248 489508442 /nfs/dbraw/zinc/50/84/42/489508442.db2.gz DJVFFZVFIRHAIR-JKSUJKDBSA-N 2 0 354.495 0.014 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000452108183 489546588 /nfs/dbraw/zinc/54/65/88/489546588.db2.gz DLEHUOJXSXNUEN-ROUUACIJSA-N 2 0 354.539 0.874 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]([C@H]3CCOC3)C2)C1 ZINC000372155578 489552919 /nfs/dbraw/zinc/55/29/19/489552919.db2.gz GGRGXPWTXQYVQO-OKZBNKHCSA-N 2 0 353.507 0.818 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415954315 489566044 /nfs/dbraw/zinc/56/60/44/489566044.db2.gz NPBSOZPRJJHJSJ-OAHLLOKOSA-N 2 0 363.466 0.119 10 0 FCAERP O=C(NCCNc1cc[nH+]cc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000426582336 489576194 /nfs/dbraw/zinc/57/61/94/489576194.db2.gz ZAJXPFGWXRTOIU-QZTJIDSGSA-N 2 0 361.490 0.983 10 0 FCAERP C[NH+](C)C1CCN(CCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000372905099 489650296 /nfs/dbraw/zinc/65/02/96/489650296.db2.gz VPHWMLKNGAMNOT-TXPKVOOTSA-N 2 0 352.523 0.661 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000417476186 489655810 /nfs/dbraw/zinc/65/58/10/489655810.db2.gz PZXLPAOAPZLNJH-PBHICJAKSA-N 2 0 361.490 0.775 10 0 FCAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417534307 489657679 /nfs/dbraw/zinc/65/76/79/489657679.db2.gz OABBINKQGJWWTO-XHSDSOJGSA-N 2 0 353.511 0.746 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)[C@@H]1c1ccccc1 ZINC000417932972 489671981 /nfs/dbraw/zinc/67/19/81/489671981.db2.gz DJDPFXVRCPBVQC-SQNIBIBYSA-N 2 0 373.501 0.928 10 0 FCAERP C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458589350 489689756 /nfs/dbraw/zinc/68/97/56/489689756.db2.gz KNTPUEQZBROLIB-QGZVFWFLSA-N 3 0 355.527 0.158 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000469177665 489693762 /nfs/dbraw/zinc/69/37/62/489693762.db2.gz XFOXKTJTXXANJO-CQSZACIVSA-N 2 0 367.494 0.191 10 0 FCAERP O=C(NCCNc1cc[nH+]cc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418617579 489711018 /nfs/dbraw/zinc/71/10/18/489711018.db2.gz NKYLGELDUIPMKL-ZDUSSCGKSA-N 2 0 360.384 0.051 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C(N)=O)co1 ZINC000430224753 489725943 /nfs/dbraw/zinc/72/59/43/489725943.db2.gz ZTVPPZQDVJOWRR-HNNXBMFYSA-N 2 0 365.478 0.936 10 0 FCAERP O=C(NCC1C[NH2+]C1)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000418797555 489729706 /nfs/dbraw/zinc/72/97/06/489729706.db2.gz GCNDHTQWGGXIOQ-ZDUSSCGKSA-N 2 0 366.412 0.381 10 0 FCAERP CON1CCC([N@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000459591189 489741600 /nfs/dbraw/zinc/74/16/00/489741600.db2.gz SSDWIMIOMSFHJS-KRWDZBQOSA-N 2 0 356.511 0.417 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2CCNC[C@H]2c2cccnc2)CCCC1 ZINC000418840469 489750505 /nfs/dbraw/zinc/75/05/05/489750505.db2.gz XQKQOUGTLLRGBO-INIZCTEOSA-N 2 0 359.474 0.545 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)[NH+](C)C)c1 ZINC000418842062 489752761 /nfs/dbraw/zinc/75/27/61/489752761.db2.gz HEWNQGDNWQBPTK-JQFCIGGWSA-N 2 0 362.474 0.528 10 0 FCAERP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418859827 489761473 /nfs/dbraw/zinc/76/14/73/489761473.db2.gz LDLVMFUEJCDHIA-FGTMMUONSA-N 2 0 356.470 0.730 10 0 FCAERP CN1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418899184 489781387 /nfs/dbraw/zinc/78/13/87/489781387.db2.gz BPRZMDKVQHSPOP-GJZGRUSLSA-N 2 0 352.385 0.258 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418914479 489788879 /nfs/dbraw/zinc/78/88/79/489788879.db2.gz FRRMLWOUAYJNKO-INIZCTEOSA-N 2 0 368.522 0.627 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000418917184 489791318 /nfs/dbraw/zinc/79/13/18/489791318.db2.gz YGYGFYUXJHMPKF-QMCVQRASSA-N 2 0 374.485 0.777 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)[C@H]1c1ccccc1 ZINC000418916889 489791415 /nfs/dbraw/zinc/79/14/15/489791415.db2.gz XRVRSQQLBYYVEC-YESZJQIVSA-N 2 0 360.458 0.043 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000418942762 489798377 /nfs/dbraw/zinc/79/83/77/489798377.db2.gz AVSMDMJGBISFLY-CZUORRHYSA-N 2 0 364.465 0.947 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[C@H](C)C[NH2+]1 ZINC000418959610 489804557 /nfs/dbraw/zinc/80/45/57/489804557.db2.gz HPVOTSZVCHWAKM-CHWSQXEVSA-N 2 0 350.438 0.712 10 0 FCAERP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000418971498 489808080 /nfs/dbraw/zinc/80/80/80/489808080.db2.gz XUVRRMWBIJYIMM-OCCSQVGLSA-N 2 0 350.438 0.699 10 0 FCAERP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000459986148 489809296 /nfs/dbraw/zinc/80/92/96/489809296.db2.gz FGQAOYGFMMOCQK-QGZVFWFLSA-N 2 0 366.506 0.108 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCO1 ZINC000419007744 489815704 /nfs/dbraw/zinc/81/57/04/489815704.db2.gz RYKORLLYNZFMMP-GOSISDBHSA-N 2 0 374.485 0.475 10 0 FCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000460227278 489856295 /nfs/dbraw/zinc/85/62/95/489856295.db2.gz LZPHQLCVKSKVJB-UHFFFAOYSA-N 2 0 365.522 0.834 10 0 FCAERP CS[C@@H]1CN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1[NH+](C)C ZINC000377176841 489863227 /nfs/dbraw/zinc/86/32/27/489863227.db2.gz BQJPUJJWQTXWFB-BRWVUGGUSA-N 2 0 372.579 0.437 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000420043337 489891878 /nfs/dbraw/zinc/89/18/78/489891878.db2.gz RTIJFFDLPOYSKR-HRCADAONSA-N 2 0 366.506 0.693 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000420093695 489909563 /nfs/dbraw/zinc/90/95/63/489909563.db2.gz CZTNUIFBDYHYAO-ARFHVFGLSA-N 2 0 354.495 0.060 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000420108811 489914957 /nfs/dbraw/zinc/91/49/57/489914957.db2.gz AFOLUPSSCXLSIN-WQVCFCJDSA-N 2 0 350.438 0.659 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)o1 ZINC000420121394 489919847 /nfs/dbraw/zinc/91/98/47/489919847.db2.gz PHOJMDGCJIDONU-CZUORRHYSA-N 2 0 350.463 0.592 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000420125302 489920646 /nfs/dbraw/zinc/92/06/46/489920646.db2.gz SVYUSFIYEHCJLN-DZGCQCFKSA-N 2 0 352.504 0.753 10 0 FCAERP CON(C)C(=O)CC[N@H+](C)[C@@H]1CCC[NH+](CCC(=O)N(C)OC)CC1 ZINC000377569666 489921954 /nfs/dbraw/zinc/92/19/54/489921954.db2.gz WNMSKPXDWSMOBE-OAHLLOKOSA-N 2 0 358.483 0.593 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420131587 489923698 /nfs/dbraw/zinc/92/36/98/489923698.db2.gz ZCLCVTKSNBXTPU-FUHWJXTLSA-N 2 0 358.486 0.835 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420131586 489923823 /nfs/dbraw/zinc/92/38/23/489923823.db2.gz ZCLCVTKSNBXTPU-AEFFLSMTSA-N 2 0 358.486 0.835 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420132154 489924423 /nfs/dbraw/zinc/92/44/23/489924423.db2.gz ZODNOGUIIZPHOU-NVXWUHKLSA-N 2 0 366.506 0.204 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000420135511 489925856 /nfs/dbraw/zinc/92/58/56/489925856.db2.gz VKPSUXMRSULQSI-BPQIPLTHSA-N 2 0 358.486 0.976 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)o1 ZINC000420137474 489926806 /nfs/dbraw/zinc/92/68/06/489926806.db2.gz WWYXALQOJBULRM-BBRMVZONSA-N 2 0 350.463 0.592 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000377683346 489940812 /nfs/dbraw/zinc/94/08/12/489940812.db2.gz XYPYIBSXVKQWKT-SJLPKXTDSA-N 2 0 367.538 0.565 10 0 FCAERP COC1([C@@H](C)[NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCOCC1 ZINC000421040074 490045192 /nfs/dbraw/zinc/04/51/92/490045192.db2.gz WLHFFCHVEPAVRT-SJORKVTESA-N 2 0 371.522 0.633 10 0 FCAERP C[NH+](C)C[C@H]1CCCN1C(=O)COCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000464934834 490073745 /nfs/dbraw/zinc/07/37/45/490073745.db2.gz RCFYWWFFAQQWCE-IYBDPMFKSA-N 2 0 354.495 0.108 10 0 FCAERP C[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386657883 490131032 /nfs/dbraw/zinc/13/10/32/490131032.db2.gz UUMLRUJWAVHWCV-JQHSSLGASA-N 2 0 367.515 0.805 10 0 FCAERP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000507925827 490279094 /nfs/dbraw/zinc/27/90/94/490279094.db2.gz SMEZFKFCBFFYOL-XYTVBORESA-N 2 0 350.507 0.966 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](CC2CCC2)[C@@H](C)CO)C1 ZINC000483141873 490285079 /nfs/dbraw/zinc/28/50/79/490285079.db2.gz IJHJKARYADULKB-WMZOPIPTSA-N 2 0 355.523 0.942 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000571571727 491316508 /nfs/dbraw/zinc/31/65/08/491316508.db2.gz DMQWFZGHKCKCJO-GOSISDBHSA-N 2 0 369.554 0.668 10 0 FCAERP CNc1nc(N2CCC([NH+](C)C)CC2)nc(N2CCC([NH+](C)C)CC2)n1 ZINC000467746607 490336889 /nfs/dbraw/zinc/33/68/89/490336889.db2.gz OOYKFPLKTPIBAL-UHFFFAOYSA-N 2 0 362.526 0.396 10 0 FCAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000422470193 490338551 /nfs/dbraw/zinc/33/85/51/490338551.db2.gz FVIZRMMNRROERC-DOTOQJQBSA-N 2 0 355.442 0.893 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NCC[NH+](C)C ZINC000534716308 490401745 /nfs/dbraw/zinc/40/17/45/490401745.db2.gz VWZVNOIIBGPDDO-HOCLYGCPSA-N 2 0 353.511 0.615 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000564740373 491324177 /nfs/dbraw/zinc/32/41/77/491324177.db2.gz NTADGJZDSCZTST-MRXNPFEDSA-N 2 0 355.527 0.992 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000468642427 490424026 /nfs/dbraw/zinc/42/40/26/490424026.db2.gz QYINZBUMYUIZPH-QGZVFWFLSA-N 2 0 352.523 0.977 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)C(=O)NCC[NH+](C)C ZINC000535428724 490489763 /nfs/dbraw/zinc/48/97/63/490489763.db2.gz APUFQBJHEDWAIP-PVAVHDDUSA-N 2 0 367.538 0.861 10 0 FCAERP CC(C)NC(=O)Nc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000564845053 491330670 /nfs/dbraw/zinc/33/06/70/491330670.db2.gz QYEUUERFCNPBEZ-GOSISDBHSA-N 2 0 363.506 0.914 10 0 FCAERP COC[C@](C)(CNC(=O)C[N@@H+]1CC[C@H](C)C1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000571819338 491331163 /nfs/dbraw/zinc/33/11/63/491331163.db2.gz WUGDVBJMZBWYPE-BXWFABGCSA-N 2 0 368.522 0.308 10 0 FCAERP COC[C@](C)(CNC(=O)C[N@@H+]1CC[C@H](C)C1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000571819339 491331194 /nfs/dbraw/zinc/33/11/94/491331194.db2.gz WUGDVBJMZBWYPE-FCEWJHQRSA-N 2 0 368.522 0.308 10 0 FCAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000422977087 490508809 /nfs/dbraw/zinc/50/88/09/490508809.db2.gz WCQBLNRLZHERHT-XQYHGENGSA-N 2 0 362.518 0.809 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C3CC3)C[C@@H](C)C2)C1 ZINC000451087775 490514096 /nfs/dbraw/zinc/51/40/96/490514096.db2.gz UYUGMADVCUDOFL-PKOBYXMFSA-N 2 0 366.550 0.876 10 0 FCAERP CN(C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423066303 490534433 /nfs/dbraw/zinc/53/44/33/490534433.db2.gz DLDFEGJABQLKCH-MSOLQXFVSA-N 2 0 374.485 0.296 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423067071 490534490 /nfs/dbraw/zinc/53/44/90/490534490.db2.gz GEPNBVYFVMYWSY-PXNSSMCTSA-N 2 0 358.486 0.917 10 0 FCAERP C[NH+](C)CCOC1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000524515337 490542536 /nfs/dbraw/zinc/54/25/36/490542536.db2.gz RBBRRVLZSTVHQJ-UHFFFAOYSA-N 2 0 356.511 0.851 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(=O)[nH]c(N(C)C)n1 ZINC000549707434 490594947 /nfs/dbraw/zinc/59/49/47/490594947.db2.gz JIXJMWQEVTWCBN-AWEZNQCLSA-N 2 0 364.494 0.736 10 0 FCAERP COCC[NH+]1CCC(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000536600615 490596709 /nfs/dbraw/zinc/59/67/09/490596709.db2.gz SVZVJMCVHFJVOD-UHFFFAOYSA-N 2 0 361.490 0.674 10 0 FCAERP CCNC(=O)[C@@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000550178565 490635239 /nfs/dbraw/zinc/63/52/39/490635239.db2.gz KHOHJETZBZBIGM-WBVHZDCISA-N 2 0 356.511 0.210 10 0 FCAERP C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000512468082 490683995 /nfs/dbraw/zinc/68/39/95/490683995.db2.gz HZURUKXGSREDRB-YJBOKZPZSA-N 2 0 350.507 0.524 10 0 FCAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000514073661 490761331 /nfs/dbraw/zinc/76/13/31/490761331.db2.gz AXWBNUYYWQLLHX-KRWDZBQOSA-N 2 0 372.579 0.758 10 0 FCAERP COCCN(C)C[C@@H](O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000515666018 490835108 /nfs/dbraw/zinc/83/51/08/490835108.db2.gz AUZDVEIUXMBEHB-LJQANCHMSA-N 2 0 363.502 0.954 10 0 FCAERP CS[C@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1[NH+](C)C ZINC000557244096 491361120 /nfs/dbraw/zinc/36/11/20/491361120.db2.gz JBAPKGKSFUIORD-CVEARBPZSA-N 2 0 363.531 0.951 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529308509 490849626 /nfs/dbraw/zinc/84/96/26/490849626.db2.gz ULCVJRFFELLDEM-QZTJIDSGSA-N 2 0 368.522 0.897 10 0 FCAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000541190280 490854169 /nfs/dbraw/zinc/85/41/69/490854169.db2.gz WNJQPLMDEINUEU-OAHLLOKOSA-N 2 0 364.494 0.942 10 0 FCAERP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(OC[C@@H]3CCOC3)CC2)C1=O ZINC000541268446 490856862 /nfs/dbraw/zinc/85/68/62/490856862.db2.gz LDDVMRNQEXVMER-ZBFHGGJFSA-N 2 0 353.463 0.193 10 0 FCAERP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(OC[C@H]3CCOC3)CC2)C1=O ZINC000541268445 490856880 /nfs/dbraw/zinc/85/68/80/490856880.db2.gz LDDVMRNQEXVMER-HOCLYGCPSA-N 2 0 353.463 0.193 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@@H]2CC(N)=O)C1 ZINC000517741036 490918559 /nfs/dbraw/zinc/91/85/59/490918559.db2.gz LNWBLJJBGMBIFX-CVEARBPZSA-N 2 0 354.495 0.189 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000519561246 490976647 /nfs/dbraw/zinc/97/66/47/490976647.db2.gz XVGFJVIYXYAJIM-JMLCCBQJSA-N 2 0 370.563 0.777 10 0 FCAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000519572667 490977048 /nfs/dbraw/zinc/97/70/48/490977048.db2.gz QXKXHHUZAGIMSH-LSDHHAIUSA-N 2 0 364.494 0.939 10 0 FCAERP C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000614069280 492013242 /nfs/dbraw/zinc/01/32/42/492013242.db2.gz VRYFWTQEMBGGFP-OAQYLSRUSA-N 2 0 374.529 0.963 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCC[NH+]2CCOC)C[C@@H]1C ZINC000557492682 491377829 /nfs/dbraw/zinc/37/78/29/491377829.db2.gz GCTOASFYZOOWHH-ULQDDVLXSA-N 2 0 368.522 0.545 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000660293940 493339802 /nfs/dbraw/zinc/33/98/02/493339802.db2.gz GPMPPHDWZRQQPF-AEFFLSMTSA-N 2 0 373.501 0.919 10 0 FCAERP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000566063406 491415283 /nfs/dbraw/zinc/41/52/83/491415283.db2.gz SFCJZJOYTOYFKC-GOSISDBHSA-N 3 0 350.507 0.325 10 0 FCAERP CCN(C(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000668372532 493342702 /nfs/dbraw/zinc/34/27/02/493342702.db2.gz KNJOOCBDXJYFCD-QZTJIDSGSA-N 2 0 358.486 0.930 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000566366853 491439611 /nfs/dbraw/zinc/43/96/11/491439611.db2.gz FPNXTHQFQXAAMQ-UHFFFAOYSA-N 2 0 368.522 0.593 10 0 FCAERP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)C2)CC1 ZINC000573711506 491449913 /nfs/dbraw/zinc/44/99/13/491449913.db2.gz DBUNWOGWAPHZGT-FXAWDEMLSA-N 2 0 362.518 0.779 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCC(=O)N2CCc3ccccc32)CC1 ZINC000574191615 491480101 /nfs/dbraw/zinc/48/01/01/491480101.db2.gz HBXGSPGDCAXQEV-GOSISDBHSA-N 2 0 360.502 0.554 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000574329835 491489334 /nfs/dbraw/zinc/48/93/34/491489334.db2.gz NHIHEADHWIJTOH-MOPGFXCFSA-N 3 0 366.550 0.923 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](O)CC23CCC3)C1 ZINC000574509903 491501452 /nfs/dbraw/zinc/50/14/52/491501452.db2.gz PWEYDONHPWTDRF-IRXDYDNUSA-N 2 0 353.507 0.839 10 0 FCAERP Cc1cccc(CNC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)n1 ZINC000574707467 491515040 /nfs/dbraw/zinc/51/50/40/491515040.db2.gz CANIFJCDCIJBOQ-UHFFFAOYSA-N 2 0 361.490 0.491 10 0 FCAERP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668397887 493347910 /nfs/dbraw/zinc/34/79/10/493347910.db2.gz QXDWWZFEODAHTD-QGZVFWFLSA-N 2 0 366.506 0.036 10 0 FCAERP COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1OC ZINC000567692617 491523149 /nfs/dbraw/zinc/52/31/49/491523149.db2.gz YTMMSDCSBZBCRV-DOTOQJQBSA-N 2 0 351.491 0.833 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000567880471 491537171 /nfs/dbraw/zinc/53/71/71/491537171.db2.gz IEVKKLZUGINQNQ-KRWDZBQOSA-N 2 0 362.474 0.156 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000575138821 491541430 /nfs/dbraw/zinc/54/14/30/491541430.db2.gz NRQDGYJITQPWQD-INIZCTEOSA-N 2 0 368.522 0.450 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000568072472 491551513 /nfs/dbraw/zinc/55/15/13/491551513.db2.gz CNEGGOGWYVOTIW-UHFFFAOYSA-N 2 0 368.522 0.594 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000575740942 491557991 /nfs/dbraw/zinc/55/79/91/491557991.db2.gz HUHDVDVSZLCYQB-VQTJNVASSA-N 2 0 374.529 0.418 10 0 FCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000568389983 491573554 /nfs/dbraw/zinc/57/35/54/491573554.db2.gz LUTGURIIAZCPCE-POORBHPNSA-N 2 0 351.491 0.874 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000561122260 491576762 /nfs/dbraw/zinc/57/67/62/491576762.db2.gz UQLPCNHJCGELMC-HUUCEWRRSA-N 2 0 356.511 0.306 10 0 FCAERP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)CN1CCOCC1 ZINC000576457298 491616461 /nfs/dbraw/zinc/61/64/61/491616461.db2.gz FJZDLLKRDTYPMB-FQEVSTJZSA-N 2 0 363.502 0.426 10 0 FCAERP [NH3+]C[C@@H]1CN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC12CCOCC2 ZINC000576943303 491658798 /nfs/dbraw/zinc/65/87/98/491658798.db2.gz BJJXUTYTXTXLEI-ZACQAIPSSA-N 2 0 351.491 0.844 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CCC(=O)OC)cn2)CC1 ZINC000578129371 491670341 /nfs/dbraw/zinc/67/03/41/491670341.db2.gz BIBVXTYESLRBEX-HNNXBMFYSA-N 2 0 363.462 0.120 10 0 FCAERP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000578393604 491676178 /nfs/dbraw/zinc/67/61/78/491676178.db2.gz HZIOCRNVJXRHDX-DOTOQJQBSA-N 2 0 366.506 0.299 10 0 FCAERP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000578393607 491676426 /nfs/dbraw/zinc/67/64/26/491676426.db2.gz HZIOCRNVJXRHDX-WBVHZDCISA-N 2 0 366.506 0.299 10 0 FCAERP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCSC1 ZINC000578972068 491687980 /nfs/dbraw/zinc/68/79/80/491687980.db2.gz HXNAZEMSHBMLOI-DLBZAZTESA-N 2 0 354.520 0.142 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000579239639 491693887 /nfs/dbraw/zinc/69/38/87/491693887.db2.gz HDGGGQTUYUXHLX-CEXWTWQISA-N 2 0 351.466 0.490 10 0 FCAERP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000579934115 491709963 /nfs/dbraw/zinc/70/99/63/491709963.db2.gz QNMLGQXCAVGVCB-OAHLLOKOSA-N 3 0 363.506 0.274 10 0 FCAERP CC[NH+](CC)CCS(=O)(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000580381356 491728901 /nfs/dbraw/zinc/72/89/01/491728901.db2.gz ZMFHXSWBAGUHDW-UHFFFAOYSA-N 2 0 369.535 0.595 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC000580764161 491744493 /nfs/dbraw/zinc/74/44/93/491744493.db2.gz SVMQNOBFMIPENI-QKLQHJQFSA-N 2 0 356.470 0.760 10 0 FCAERP COCCN1CCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000580899199 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REYWQGWTSOALJZ-LPHOPBHVSA-N 2 0 350.507 0.921 10 0 FCAERP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000612041218 491894177 /nfs/dbraw/zinc/89/41/77/491894177.db2.gz RZUIFHBLGOEXKR-LVQVYYBASA-N 2 0 368.522 0.589 10 0 FCAERP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000612041219 491894342 /nfs/dbraw/zinc/89/43/42/491894342.db2.gz RZUIFHBLGOEXKR-WCVJEAGWSA-N 2 0 368.522 0.589 10 0 FCAERP CN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000612598718 491937695 /nfs/dbraw/zinc/93/76/95/491937695.db2.gz HYUKRDSNCMHIJG-IRXDYDNUSA-N 2 0 364.490 0.051 10 0 FCAERP C[C@H](CCC[NH3+])NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612924990 491958543 /nfs/dbraw/zinc/95/85/43/491958543.db2.gz MCMANCVERFDOCO-CABCVRRESA-N 2 0 363.510 0.836 10 0 FCAERP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000614505972 492034336 /nfs/dbraw/zinc/03/43/36/492034336.db2.gz CESMVAPUNJGJRA-ICSRJNTNSA-N 2 0 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360.506 0.978 10 0 FCAERP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000656104939 492552218 /nfs/dbraw/zinc/55/22/18/492552218.db2.gz WLUAQLNHWVKEJI-LJQANCHMSA-N 2 0 350.507 0.921 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000656287007 492569990 /nfs/dbraw/zinc/56/99/90/492569990.db2.gz RVFUSOSZNWHKAO-KSZLIROESA-N 2 0 360.502 0.732 10 0 FCAERP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)CC(C)C ZINC000656289967 492572346 /nfs/dbraw/zinc/57/23/46/492572346.db2.gz WGSRKRHASHEWDV-IXDOHACOSA-N 2 0 368.522 0.137 10 0 FCAERP C[NH+](C)CCc1ccc(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000656336657 492601099 /nfs/dbraw/zinc/60/10/99/492601099.db2.gz KLFICIHXPFOYEH-HDICACEKSA-N 2 0 360.502 0.863 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000656345640 492605203 /nfs/dbraw/zinc/60/52/03/492605203.db2.gz LKAXVCOZVHKCCH-IRXDYDNUSA-N 2 0 368.522 0.402 10 0 FCAERP C[NH+]1CCC[C@H]1CNC(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@H+]2C)c1N ZINC000629453024 492632863 /nfs/dbraw/zinc/63/28/63/492632863.db2.gz ZMHDDESGQLCQBX-GJZGRUSLSA-N 2 0 373.501 0.917 10 0 FCAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000629528587 492639028 /nfs/dbraw/zinc/63/90/28/492639028.db2.gz DBWKARLSTNESNS-OAHLLOKOSA-N 2 0 371.503 0.594 10 0 FCAERP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000656790550 492649622 /nfs/dbraw/zinc/64/96/22/492649622.db2.gz YYLHUDAUSMEJSH-MNEFBYGVSA-N 2 0 360.502 0.928 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(OCCO)CCC(F)(F)CC2)CC1 ZINC000629590561 492657505 /nfs/dbraw/zinc/65/75/05/492657505.db2.gz QYMZRAXJPHJGRM-HNNXBMFYSA-N 2 0 365.465 0.141 10 0 FCAERP C[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+]1CCCC[C@@H]1C ZINC000650642118 492657909 /nfs/dbraw/zinc/65/79/09/492657909.db2.gz UBBYWIQQFQLJMU-HOTGVXAUSA-N 2 0 353.511 0.665 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2cccc3c2OC(F)(F)O3)CC1 ZINC000629607299 492658711 /nfs/dbraw/zinc/65/87/11/492658711.db2.gz RINXBCABLCARQM-AWEZNQCLSA-N 2 0 357.401 0.749 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[C@H](C)C1 ZINC000629800235 492678365 /nfs/dbraw/zinc/67/83/65/492678365.db2.gz YLVBEZRERACERD-OHQAAIJDSA-N 2 0 350.507 0.633 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000629802910 492680305 /nfs/dbraw/zinc/68/03/05/492680305.db2.gz AGRLIGRNUAYYBI-HNNXBMFYSA-N 2 0 352.479 0.040 10 0 FCAERP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000629817604 492687417 /nfs/dbraw/zinc/68/74/17/492687417.db2.gz RFZOZUPUVDAWPB-UHFFFAOYSA-N 2 0 354.495 0.143 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@]1(O)CCOC1 ZINC000651281576 492734540 /nfs/dbraw/zinc/73/45/40/492734540.db2.gz ZFWJOWLVBKNMHM-SJLPKXTDSA-N 2 0 356.511 0.585 10 0 FCAERP CC(=O)N1CCN(C(=O)CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657353174 492749701 /nfs/dbraw/zinc/74/97/01/492749701.db2.gz GSGCHKHYDKPUAV-UHFFFAOYSA-N 2 0 356.430 0.438 10 0 FCAERP Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000625287820 492751746 /nfs/dbraw/zinc/75/17/46/492751746.db2.gz MWPHGZBYAORZDW-UHFFFAOYSA-N 2 0 374.482 0.347 10 0 FCAERP Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000651480386 492765110 /nfs/dbraw/zinc/76/51/10/492765110.db2.gz ZUAJRBZYQGDOEE-MRXNPFEDSA-N 2 0 363.506 0.898 10 0 FCAERP Cc1ccc([C@@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)N2CCOCC2)o1 ZINC000644514673 492780560 /nfs/dbraw/zinc/78/05/60/492780560.db2.gz ZLZGYNPIGKNXBE-ZWKOTPCHSA-N 2 0 366.506 0.159 10 0 FCAERP Cc1ccc([C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)N2CCOCC2)o1 ZINC000644514671 492780934 /nfs/dbraw/zinc/78/09/34/492780934.db2.gz ZLZGYNPIGKNXBE-ROUUACIJSA-N 2 0 366.506 0.159 10 0 FCAERP C[C@H](C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)CN1CC[NH+](C)CC1 ZINC000644562729 492785312 /nfs/dbraw/zinc/78/53/12/492785312.db2.gz QOZQGINGHBIYEK-CVEARBPZSA-N 2 0 365.474 0.628 10 0 FCAERP C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000644736392 492804612 /nfs/dbraw/zinc/80/46/12/492804612.db2.gz ZGULKCLGLDYFID-ROUUACIJSA-N 2 0 364.534 0.774 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC000631676154 492833261 /nfs/dbraw/zinc/83/32/61/492833261.db2.gz SFRXKURIHYJMQA-OWCLPIDISA-N 2 0 359.536 0.684 10 0 FCAERP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ncccc1Br ZINC000658381237 492868853 /nfs/dbraw/zinc/86/88/53/492868853.db2.gz CFPFKEBSIRJLTG-UHFFFAOYSA-N 2 0 351.270 0.532 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000645149562 492873237 /nfs/dbraw/zinc/87/32/37/492873237.db2.gz OVNNPYQDHOETCD-CQSZACIVSA-N 2 0 351.495 0.622 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1ccccc1C[NH+]1CCCC1 ZINC000631909727 492875363 /nfs/dbraw/zinc/87/53/63/492875363.db2.gz NNCSZKTUBPQDSG-KRWDZBQOSA-N 2 0 353.488 0.690 10 0 FCAERP C[NH+](C)CCOc1ccc(CCNS(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000631917419 492882846 /nfs/dbraw/zinc/88/28/46/492882846.db2.gz JEBYMODAZNTDSA-QGZVFWFLSA-N 2 0 371.503 0.077 10 0 FCAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000645272581 492887214 /nfs/dbraw/zinc/88/72/14/492887214.db2.gz JGKOOESDYIVYAL-CVEARBPZSA-N 2 0 353.511 0.726 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000631928534 492888968 /nfs/dbraw/zinc/88/89/68/492888968.db2.gz GHDMOAQEOBYJRD-MRXNPFEDSA-N 2 0 354.476 0.206 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C[C@H]1C[NH3+] ZINC000652158760 492889129 /nfs/dbraw/zinc/88/91/29/492889129.db2.gz JLYXSMFLTIHSRA-GVDBMIGSSA-N 2 0 355.527 0.265 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C[C@H]1C[NH3+] ZINC000652170973 492890546 /nfs/dbraw/zinc/89/05/46/492890546.db2.gz YFQJQIKZUQMNPK-XLNGHYISSA-N 2 0 354.495 0.369 10 0 FCAERP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000631950776 492897181 /nfs/dbraw/zinc/89/71/81/492897181.db2.gz PPBXSXHHEPAQHO-IAGOWNOFSA-N 2 0 352.504 0.650 10 0 FCAERP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625938808 492901919 /nfs/dbraw/zinc/90/19/19/492901919.db2.gz ATAYBKJBXUFGTI-UHFFFAOYSA-N 2 0 363.462 0.652 10 0 FCAERP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000652362555 492916150 /nfs/dbraw/zinc/91/61/50/492916150.db2.gz JONOCGQCWCDSJR-FVQBIDKESA-N 2 0 371.507 0.059 10 0 FCAERP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000645623988 492946958 /nfs/dbraw/zinc/94/69/58/492946958.db2.gz SAKCVVABUGVNRS-HOCLYGCPSA-N 2 0 360.458 0.858 10 0 FCAERP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658567784 492957924 /nfs/dbraw/zinc/95/79/24/492957924.db2.gz DNPULUXAQRSIDT-QGZVFWFLSA-N 2 0 368.522 0.500 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652667532 492983252 /nfs/dbraw/zinc/98/32/52/492983252.db2.gz VUGBOKAUCFELIS-SFHVURJKSA-N 2 0 360.502 0.781 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000652678201 492986894 /nfs/dbraw/zinc/98/68/94/492986894.db2.gz XBTWFEYQMCZIQX-ARFHVFGLSA-N 2 0 354.495 0.045 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652684648 492989653 /nfs/dbraw/zinc/98/96/53/492989653.db2.gz UCQXGRKXIQTGHB-DOTOQJQBSA-N 2 0 358.486 0.868 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C[NH3+] ZINC000652693104 492992063 /nfs/dbraw/zinc/99/20/63/492992063.db2.gz MGABEIOBELUIFP-RBSFLKMASA-N 2 0 354.495 0.045 10 0 FCAERP CN(C(=O)C(=O)NCCC1(C[NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000652711762 492997074 /nfs/dbraw/zinc/99/70/74/492997074.db2.gz AAACCGRPGKBSQV-QGZVFWFLSA-N 2 0 358.486 0.965 10 0 FCAERP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C[NH+]1CCCC1 ZINC000626798389 493020697 /nfs/dbraw/zinc/02/06/97/493020697.db2.gz MWYBRGVZGYYPKE-CQSZACIVSA-N 2 0 360.458 0.955 10 0 FCAERP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C[NH+]1CCCC1 ZINC000626798388 493020801 /nfs/dbraw/zinc/02/08/01/493020801.db2.gz MWYBRGVZGYYPKE-AWEZNQCLSA-N 2 0 360.458 0.955 10 0 FCAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658757678 493043756 /nfs/dbraw/zinc/04/37/56/493043756.db2.gz MWNSOBKVZLRLCN-HZPDHXFCSA-N 2 0 354.495 0.108 10 0 FCAERP C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCCOCCC[NH3+])cccc21 ZINC000626894548 493054664 /nfs/dbraw/zinc/05/46/64/493054664.db2.gz HQVYIZSVULZOHP-HNNXBMFYSA-N 2 0 364.446 0.492 10 0 FCAERP C[NH+]1CCN(c2cc(CNC(=O)NC3(C[NH3+])CCOCC3)ccn2)CC1 ZINC000626931981 493066767 /nfs/dbraw/zinc/06/67/67/493066767.db2.gz PDOYDLMPVADONY-UHFFFAOYSA-N 2 0 362.478 0.141 10 0 FCAERP CCN(C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658823887 493070956 /nfs/dbraw/zinc/07/09/56/493070956.db2.gz FXUUOTJUSXIJGK-KRWDZBQOSA-N 2 0 367.538 0.025 10 0 FCAERP C[NH+]1CCN(C[C@@H](NC(=O)NCCOCCC[NH3+])c2ccccc2)CC1 ZINC000626968352 493071139 /nfs/dbraw/zinc/07/11/39/493071139.db2.gz 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COCC[NH+](CCOC)C1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627149030 493096427 /nfs/dbraw/zinc/09/64/27/493096427.db2.gz SVRVDAWQJKXCNC-UHFFFAOYSA-N 2 0 372.510 0.263 10 0 FCAERP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NCC2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000627154425 493097341 /nfs/dbraw/zinc/09/73/41/493097341.db2.gz XRMLVNIJRYALRV-XHSDSOJGSA-N 2 0 354.495 0.778 10 0 FCAERP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000627175529 493101180 /nfs/dbraw/zinc/10/11/80/493101180.db2.gz UBJGVMQXBDOVKX-QZTJIDSGSA-N 2 0 364.490 0.405 10 0 FCAERP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000658902312 493105737 /nfs/dbraw/zinc/10/57/37/493105737.db2.gz SIYULYCZCOWOCC-GOSISDBHSA-N 2 0 374.485 0.744 10 0 FCAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627212751 493107964 /nfs/dbraw/zinc/10/79/64/493107964.db2.gz BLCSCUVCMPUFAS-CALCHBBNSA-N 2 0 355.527 0.552 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000633044866 493109375 /nfs/dbraw/zinc/10/93/75/493109375.db2.gz QLJYUXMOZLDXGK-ZDUSSCGKSA-N 2 0 350.467 0.278 10 0 FCAERP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000633106090 493128763 /nfs/dbraw/zinc/12/87/63/493128763.db2.gz GXCHZUYOLHCHPE-OAHLLOKOSA-N 2 0 352.479 0.040 10 0 FCAERP C[C@]1(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000627286980 493133319 /nfs/dbraw/zinc/13/33/19/493133319.db2.gz GBCRDEICJSRAFL-FXAWDEMLSA-N 2 0 374.485 0.262 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1cccs1 ZINC000627290138 493135725 /nfs/dbraw/zinc/13/57/25/493135725.db2.gz GFWWRHVNVFNYKY-GXTWGEPZSA-N 2 0 350.488 0.868 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627293700 493137279 /nfs/dbraw/zinc/13/72/79/493137279.db2.gz ZUGMPRQHYVRVSJ-DLBZAZTESA-N 2 0 358.486 0.676 10 0 FCAERP CN(C(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659072118 493138345 /nfs/dbraw/zinc/13/83/45/493138345.db2.gz CUVBYLTYYSPAPF-MSOLQXFVSA-N 2 0 372.469 0.981 10 0 FCAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627295574 493138367 /nfs/dbraw/zinc/13/83/67/493138367.db2.gz IIEMHCPJUMOMPZ-HNNXBMFYSA-N 2 0 368.522 0.627 10 0 FCAERP C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659071195 493138476 /nfs/dbraw/zinc/13/84/76/493138476.db2.gz HYGCMIBRHURJLA-QGZVFWFLSA-N 2 0 360.458 0.839 10 0 FCAERP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCCO1 ZINC000627296246 493139298 /nfs/dbraw/zinc/13/92/98/493139298.db2.gz AYZXBHOPXQIPDC-ZYSHUDEJSA-N 2 0 366.506 0.062 10 0 FCAERP CN(C(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659072120 493139947 /nfs/dbraw/zinc/13/99/47/493139947.db2.gz CUVBYLTYYSPAPF-ROUUACIJSA-N 2 0 372.469 0.981 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297365 493140223 /nfs/dbraw/zinc/14/02/23/493140223.db2.gz IKCOWWDBAJJMQR-HOTGVXAUSA-N 2 0 368.522 0.450 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)ccc1F ZINC000627305146 493143115 /nfs/dbraw/zinc/14/31/15/493143115.db2.gz PGGSJLQJZBETCC-INIZCTEOSA-N 2 0 362.449 0.904 10 0 FCAERP C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)C[C@H]2C1 ZINC000659082463 493144823 /nfs/dbraw/zinc/14/48/23/493144823.db2.gz GXGOCNNTACZFCE-HLLBOEOZSA-N 2 0 358.442 0.306 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000627314530 493147585 /nfs/dbraw/zinc/14/75/85/493147585.db2.gz FQYMPOSOVPEUMW-JKSUJKDBSA-N 2 0 354.495 0.249 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCOCC1 ZINC000627334390 493158668 /nfs/dbraw/zinc/15/86/68/493158668.db2.gz PCRZYYAMAAKXNE-INIZCTEOSA-N 2 0 366.506 0.524 10 0 FCAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627334835 493159006 /nfs/dbraw/zinc/15/90/06/493159006.db2.gz BWNMACWSHKAUGK-GRDNDAEWSA-N 2 0 359.474 0.590 10 0 FCAERP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)Cc1ccccc1 ZINC000627350807 493169001 /nfs/dbraw/zinc/16/90/01/493169001.db2.gz BYEQATRCJHOLBX-RYQLBKOJSA-N 2 0 360.502 0.922 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1 ZINC000627357742 493174670 /nfs/dbraw/zinc/17/46/70/493174670.db2.gz OQICTJQXTCBIDY-HZPDHXFCSA-N 2 0 362.449 0.945 10 0 FCAERP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627357335 493175172 /nfs/dbraw/zinc/17/51/72/493175172.db2.gz CXNHXNQIDNUJQX-SFHVURJKSA-N 2 0 370.497 0.952 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCOCC1 ZINC000627358840 493176015 /nfs/dbraw/zinc/17/60/15/493176015.db2.gz UPCCSEZJMRJZID-KRWDZBQOSA-N 2 0 374.485 0.564 10 0 FCAERP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627364289 493179766 /nfs/dbraw/zinc/17/97/66/493179766.db2.gz LWSBGLCAQHWIRG-HNNXBMFYSA-N 2 0 354.495 0.239 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627366408 493181273 /nfs/dbraw/zinc/18/12/73/493181273.db2.gz QYTPJJCOOWQSQP-KRWDZBQOSA-N 2 0 374.485 0.249 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627366944 493181304 /nfs/dbraw/zinc/18/13/04/493181304.db2.gz GLIKZPJDPSCHGR-RDJZCZTQSA-N 2 0 374.485 0.247 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627366376 493181514 /nfs/dbraw/zinc/18/15/14/493181514.db2.gz QHCCINLCPXEUBQ-NJAFHUGGSA-N 2 0 358.486 0.881 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[NH2+]1 ZINC000627381117 493189423 /nfs/dbraw/zinc/18/94/23/493189423.db2.gz IUJRINIXBJGAHM-GOEBONIOSA-N 2 0 359.474 0.671 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000627397857 493201990 /nfs/dbraw/zinc/20/19/90/493201990.db2.gz XMUJOVBAVLQNPQ-AHRSYUTCSA-N 2 0 358.486 0.864 10 0 FCAERP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627409607 493206521 /nfs/dbraw/zinc/20/65/21/493206521.db2.gz ISKQQDCITSXFDL-OAHLLOKOSA-N 2 0 354.495 0.189 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000627417283 493209071 /nfs/dbraw/zinc/20/90/71/493209071.db2.gz VNDQQXZYTZDSFU-HOTGVXAUSA-N 2 0 366.506 0.204 10 0 FCAERP COC[C@@]1(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCC[NH2+]1 ZINC000659540159 493209511 /nfs/dbraw/zinc/20/95/11/493209511.db2.gz CQQFLSDFFCZXDH-IBGZPJMESA-N 2 0 368.522 0.945 10 0 FCAERP CC[N@H+](CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1)C1CCCCC1 ZINC000627423633 493213019 /nfs/dbraw/zinc/21/30/19/493213019.db2.gz SFXXMIMUQIDZPI-UHFFFAOYSA-N 2 0 368.522 0.771 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000659626472 493222063 /nfs/dbraw/zinc/22/20/63/493222063.db2.gz IVZJJMIPHBUADQ-ZBFHGGJFSA-N 2 0 353.511 0.888 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000659679523 493246954 /nfs/dbraw/zinc/24/69/54/493246954.db2.gz ZGNKHNTZJGFALT-XPQZIERPSA-N 2 0 370.497 0.965 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1F ZINC000659679491 493247203 /nfs/dbraw/zinc/24/72/03/493247203.db2.gz YLPUWNRSTMFWDU-HUUCEWRRSA-N 2 0 354.401 0.401 10 0 FCAERP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000659680281 493247967 /nfs/dbraw/zinc/24/79/67/493247967.db2.gz DWRNJEDBNBCUDL-HZPDHXFCSA-N 2 0 350.438 0.652 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000659681530 493248945 /nfs/dbraw/zinc/24/89/45/493248945.db2.gz JDMPTQGAHKZNHD-UHFFFAOYSA-N 2 0 356.470 0.848 10 0 FCAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659682661 493250105 /nfs/dbraw/zinc/25/01/05/493250105.db2.gz NAJSQKCDDSGGJZ-QMCVQRASSA-N 2 0 362.449 0.836 10 0 FCAERP NC(=O)C[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000672799762 493252812 /nfs/dbraw/zinc/25/28/12/493252812.db2.gz JXLJBODUGVPKPM-MRXNPFEDSA-N 2 0 374.489 0.501 10 0 FCAERP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000659690127 493255112 /nfs/dbraw/zinc/25/51/12/493255112.db2.gz OHAIZSBXTBBATI-HZPDHXFCSA-N 2 0 366.437 0.141 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000659689582 493255526 /nfs/dbraw/zinc/25/55/26/493255526.db2.gz DXTFWLNERLLBHT-UHFFFAOYSA-N 2 0 357.458 0.112 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000659691115 493256134 /nfs/dbraw/zinc/25/61/34/493256134.db2.gz HXHUYULGAKOFMV-QGZVFWFLSA-N 2 0 367.538 0.151 10 0 FCAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659698732 493259995 /nfs/dbraw/zinc/25/99/95/493259995.db2.gz KRQFMMZZEAPBRP-JYMZVQIXSA-N 2 0 350.507 0.810 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659698819 493260409 /nfs/dbraw/zinc/26/04/09/493260409.db2.gz NBDSHKCOINLMME-JOUKPKRSSA-N 2 0 350.507 0.729 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659700169 493261491 /nfs/dbraw/zinc/26/14/91/493261491.db2.gz COKGVFBDJDAWRS-SVGFKBNWSA-N 2 0 362.449 0.521 10 0 FCAERP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000659704541 493263073 /nfs/dbraw/zinc/26/30/73/493263073.db2.gz OMMNSVVIVGKUGL-UHFFFAOYSA-N 2 0 374.485 0.154 10 0 FCAERP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659705543 493264159 /nfs/dbraw/zinc/26/41/59/493264159.db2.gz YGQQYPGOUYQWCG-ZWKOTPCHSA-N 2 0 362.518 0.825 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[C@H]1F ZINC000659705574 493264177 /nfs/dbraw/zinc/26/41/77/493264177.db2.gz ZAABLJMDOVNLBM-HZPDHXFCSA-N 2 0 354.470 0.797 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659721469 493271637 /nfs/dbraw/zinc/27/16/37/493271637.db2.gz GPLBYOUGMFMWEE-CRAIPNDOSA-N 2 0 373.501 0.524 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659723100 493272636 /nfs/dbraw/zinc/27/26/36/493272636.db2.gz OWEQRQOZBCOCRU-PBHICJAKSA-N 2 0 366.506 0.108 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000659723987 493272713 /nfs/dbraw/zinc/27/27/13/493272713.db2.gz UXTGJEYLMXZGGV-SFHVURJKSA-N 2 0 374.485 0.475 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732586 493278189 /nfs/dbraw/zinc/27/81/89/493278189.db2.gz QLVXMXVGDYZZQO-UHFFFAOYSA-N 2 0 361.446 0.127 10 0 FCAERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742372 493281997 /nfs/dbraw/zinc/28/19/97/493281997.db2.gz GEKKZAJUDBSCSP-UHFFFAOYSA-N 2 0 362.449 0.584 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000659745123 493283276 /nfs/dbraw/zinc/28/32/76/493283276.db2.gz WUAVCHCXSGNVIM-DLBZAZTESA-N 2 0 367.538 0.105 10 0 FCAERP CO[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCOC1 ZINC000667680610 493295992 /nfs/dbraw/zinc/29/59/92/493295992.db2.gz LYMIIGMGCSKWCL-AEFFLSMTSA-N 2 0 362.474 0.761 10 0 FCAERP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000673351292 493320166 /nfs/dbraw/zinc/32/01/66/493320166.db2.gz NLTJMXIVIUFOIZ-DLBZAZTESA-N 2 0 362.474 0.242 10 0 FCAERP C[NH+]1CCC[C@@H](NC(=O)c2cccc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)c2N)C1 ZINC000668330157 493332081 /nfs/dbraw/zinc/33/20/81/493332081.db2.gz MMZUOLGNYMKOEK-HUUCEWRRSA-N 2 0 373.501 0.917 10 0 FCAERP C[NH+]1CCC[C@H](NC(=O)c2cccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)c2N)C1 ZINC000668330156 493332188 /nfs/dbraw/zinc/33/21/88/493332188.db2.gz MMZUOLGNYMKOEK-GJZGRUSLSA-N 2 0 373.501 0.917 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCSC1 ZINC000668527463 493371274 /nfs/dbraw/zinc/37/12/74/493371274.db2.gz WFPKJOHWYOZAJB-DYVFJYSZSA-N 2 0 356.536 0.529 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000668537290 493372858 /nfs/dbraw/zinc/37/28/58/493372858.db2.gz DYBFRJUEPBYOAF-INIZCTEOSA-N 2 0 350.507 0.966 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000668544853 493373648 /nfs/dbraw/zinc/37/36/48/493373648.db2.gz LKADDSZOFQUSBW-BRWVUGGUSA-N 2 0 366.506 0.299 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000668549298 493375007 /nfs/dbraw/zinc/37/50/07/493375007.db2.gz WWHNONRPRUYMBK-DOTOQJQBSA-N 2 0 366.506 0.156 10 0 FCAERP O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)N1CCOC2(C[NH2+]C2)C1 ZINC000668608589 493383141 /nfs/dbraw/zinc/38/31/41/493383141.db2.gz YVSPCOUPWHGTPQ-QGZVFWFLSA-N 2 0 360.458 0.271 10 0 FCAERP c1cn(C[C@@H]2CC[NH+](CCOCC[N@@H+]3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661145829 493411652 /nfs/dbraw/zinc/41/16/52/493411652.db2.gz OQMIEHYVLNWCCF-HDICACEKSA-N 2 0 374.493 0.230 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[N@H+](C)C1CC1 ZINC000668796691 493412094 /nfs/dbraw/zinc/41/20/94/493412094.db2.gz ZRWCRSPPLFSWLW-HOCLYGCPSA-N 2 0 354.495 0.155 10 0 FCAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668933541 493440016 /nfs/dbraw/zinc/44/00/16/493440016.db2.gz HJIGUJBIPARCCP-WBVHZDCISA-N 2 0 366.506 0.035 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@](O)(C3CC3)C2)C1 ZINC000661636504 493454238 /nfs/dbraw/zinc/45/42/38/493454238.db2.gz UICSNBYLNQFAII-HKUYNNGSSA-N 2 0 353.507 0.696 10 0 FCAERP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CCCO1 ZINC000669253282 493484202 /nfs/dbraw/zinc/48/42/02/493484202.db2.gz XQIQARZNJPKVSP-JKSUJKDBSA-N 2 0 368.522 0.593 10 0 FCAERP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000662337894 493507756 /nfs/dbraw/zinc/50/77/56/493507756.db2.gz NMAZSOHXGRHVKM-KURKYZTESA-N 2 0 374.533 0.862 10 0 FCAERP C[C@H]1C[NH+](CCCNC(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000662368555 493510370 /nfs/dbraw/zinc/51/03/70/493510370.db2.gz VSMSQVGQTJPPBC-KBPBESRZSA-N 2 0 350.467 0.432 10 0 FCAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000676095332 493524212 /nfs/dbraw/zinc/52/42/12/493524212.db2.gz LVAFHHXFVBLSKN-AWEZNQCLSA-N 2 0 354.414 0.806 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCOCC1 ZINC000676097128 493524487 /nfs/dbraw/zinc/52/44/87/493524487.db2.gz WCTOUAGFISWABF-UHFFFAOYSA-N 2 0 372.429 0.433 10 0 FCAERP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662832982 493545456 /nfs/dbraw/zinc/54/54/56/493545456.db2.gz LGZKXUROLQLSEI-HOTGVXAUSA-N 2 0 362.478 0.530 10 0 FCAERP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662942102 493557660 /nfs/dbraw/zinc/55/76/60/493557660.db2.gz DBAFNPHMAGJXQV-MRXNPFEDSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000662948153 493559538 /nfs/dbraw/zinc/55/95/38/493559538.db2.gz GINVIWHCHVPARQ-HOCLYGCPSA-N 2 0 354.495 0.141 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CCO1 ZINC000662971953 493562462 /nfs/dbraw/zinc/56/24/62/493562462.db2.gz GXSCPXDSSGWNKA-CABCVRRESA-N 2 0 350.467 0.213 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CCO1 ZINC000662974086 493562999 /nfs/dbraw/zinc/56/29/99/493562999.db2.gz ZYJLTUNSRXYRPX-LSDHHAIUSA-N 2 0 350.467 0.385 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H](C[NH3+])C1 ZINC000662986658 493564752 /nfs/dbraw/zinc/56/47/52/493564752.db2.gz HNYBZZSHNRAFCX-WBVHZDCISA-N 2 0 350.507 0.907 10 0 FCAERP C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]2C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000677868684 493620196 /nfs/dbraw/zinc/62/01/96/493620196.db2.gz MKUJNMDGDSQWOF-MWDXBVQZSA-N 2 0 350.507 0.824 10 0 FCAERP COCC[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000663937818 493626884 /nfs/dbraw/zinc/62/68/84/493626884.db2.gz SAZZLDOLBATFPG-GOSISDBHSA-N 2 0 364.490 0.631 10 0 FCAERP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC000663956068 493627829 /nfs/dbraw/zinc/62/78/29/493627829.db2.gz BHLCHZOEGWAGCX-WNKDZCFJSA-N 2 0 350.507 0.824 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664064753 493634252 /nfs/dbraw/zinc/63/42/52/493634252.db2.gz CZLILBLABSLRKI-QZTJIDSGSA-N 2 0 368.522 0.994 10 0 FCAERP COCc1nc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n(C)n1 ZINC000664250189 493648084 /nfs/dbraw/zinc/64/80/84/493648084.db2.gz OUDQSZVTVMDIFF-UHFFFAOYSA-N 2 0 373.461 0.299 10 0 FCAERP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000671389420 493663341 /nfs/dbraw/zinc/66/33/41/493663341.db2.gz CSDYJCGHUZOMSK-CABCVRRESA-N 2 0 350.463 0.989 10 0 FCAERP CC(=O)Nc1ccc(CNC(=O)NCCN(C)CCC[NH+](C)C)cn1 ZINC000664776446 493683369 /nfs/dbraw/zinc/68/33/69/493683369.db2.gz WHCLDYDGTFHMLJ-UHFFFAOYSA-N 2 0 350.467 0.723 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000679833494 493697139 /nfs/dbraw/zinc/69/71/39/493697139.db2.gz WLZVVUMXKLUTFW-HOTGVXAUSA-N 2 0 372.307 0.680 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000665760011 493732789 /nfs/dbraw/zinc/73/27/89/493732789.db2.gz WKFNQYULPRAJCT-ZWKOTPCHSA-N 2 0 369.554 0.622 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672102386 493736167 /nfs/dbraw/zinc/73/61/67/493736167.db2.gz PXUIPAKNCJDCRF-BDVYOWHSSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000681179655 493748982 /nfs/dbraw/zinc/74/89/82/493748982.db2.gz OTONNIQIFZZTIW-OAHLLOKOSA-N 2 0 351.499 0.592 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000419505841 535330701 /nfs/dbraw/zinc/33/07/01/535330701.db2.gz VYEBNCPGACOOGJ-IAGOWNOFSA-N 2 0 370.538 0.972 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC000419933814 536124793 /nfs/dbraw/zinc/12/47/93/536124793.db2.gz FQUIKDRMMCWWKA-HOTGVXAUSA-N 2 0 350.438 0.803 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)CC(=O)N2CCCC2)C1 ZINC000072982499 546539762 /nfs/dbraw/zinc/53/97/62/546539762.db2.gz ZLFTUCFKJZMBQY-INIZCTEOSA-N 2 0 354.495 0.014 10 0 FCAERP CCCCNC(=O)C1CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000592823894 546667880 /nfs/dbraw/zinc/66/78/80/546667880.db2.gz BJZPVGRYOPVEDW-HNNXBMFYSA-N 2 0 352.479 0.304 10 0 FCAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000552362381 547203648 /nfs/dbraw/zinc/20/36/48/547203648.db2.gz VIJHJMCEQBAXCJ-NVXWUHKLSA-N 2 0 350.507 0.918 10 0 FCAERP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000577221667 547320540 /nfs/dbraw/zinc/32/05/40/547320540.db2.gz VOTBAAJOFMOJIV-MELADBBJSA-N 2 0 366.487 0.592 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000076947847 547338425 /nfs/dbraw/zinc/33/84/25/547338425.db2.gz JDBRJBPSZHDPHU-QGZVFWFLSA-N 2 0 355.527 0.424 10 0 FCAERP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000897900502 665779936 /nfs/dbraw/zinc/77/99/36/665779936.db2.gz HRIHTOZOHZWAPT-UHFFFAOYSA-N 2 0 354.495 0.158 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000937418318 664989523 /nfs/dbraw/zinc/98/95/23/664989523.db2.gz XOPOEGXICYRLDC-YYIAUSFCSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[C@H]2C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000906584857 666058795 /nfs/dbraw/zinc/05/87/95/666058795.db2.gz MKUJNMDGDSQWOF-QBPKDAKJSA-N 2 0 350.507 0.824 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2CN(C)CC[NH+](C)C2)[C@H](C)C1 ZINC000906711144 666063389 /nfs/dbraw/zinc/06/33/89/666063389.db2.gz KNAZCUCMHVELAB-AEFFLSMTSA-N 2 0 354.539 0.733 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC(=O)NCC[NH+]2CCCCC2)C1 ZINC000909314136 666231017 /nfs/dbraw/zinc/23/10/17/666231017.db2.gz DBTYTHOIKYVPED-GOSISDBHSA-N 2 0 356.486 0.917 10 0 FCAERP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000912732062 666470945 /nfs/dbraw/zinc/47/09/45/666470945.db2.gz PKORCJRKCBGZLA-AEFFLSMTSA-N 2 0 353.507 0.935 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CONC(=O)OC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000913438443 666526697 /nfs/dbraw/zinc/52/66/97/666526697.db2.gz XCBDWYPGWGBQMU-ZIAGYGMSSA-N 2 0 358.483 0.641 10 0 FCAERP CCN1CCC([NH+]2CCC(C(=O)N3CCN(C)[C@H](CO)C3)CC2)CC1 ZINC000913543911 666534788 /nfs/dbraw/zinc/53/47/88/666534788.db2.gz SNUCTJZWZLDKFO-SFHVURJKSA-N 2 0 352.523 0.318 10 0 FCAERP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000914017349 666683586 /nfs/dbraw/zinc/68/35/86/666683586.db2.gz XKGWYCGZTMSTAT-SJORKVTESA-N 2 0 369.579 0.891 10 0 FCAERP CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000917005813 667044271 /nfs/dbraw/zinc/04/42/71/667044271.db2.gz BUBPKKHCLGMIFB-KRWDZBQOSA-N 2 0 356.488 0.826 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000917828220 667088094 /nfs/dbraw/zinc/08/80/94/667088094.db2.gz CIEMYBIFYFZDBP-IAGOWNOFSA-N 2 0 354.495 0.650 10 0 FCAERP CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000923359614 667828768 /nfs/dbraw/zinc/82/87/68/667828768.db2.gz SZPHVANSPDBWDK-QLFBSQMISA-N 2 0 359.536 0.672 10 0 FCAERP C[C@@H]1C[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C[C@H]1CC[NH3+] ZINC000923427526 667833559 /nfs/dbraw/zinc/83/35/59/667833559.db2.gz BHBIDVACSYGEBC-RBSFLKMASA-N 2 0 361.552 0.905 10 0 FCAERP O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923419386 667833976 /nfs/dbraw/zinc/83/39/76/667833976.db2.gz AZPQBWDHZVDUPM-QBPKDAKJSA-N 2 0 351.491 0.497 10 0 FCAERP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923430568 667834902 /nfs/dbraw/zinc/83/49/02/667834902.db2.gz HAIKQPPGGWIYHL-RDGPPVDQSA-N 2 0 353.507 0.444 10 0 FCAERP C[C@@H]1C[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923500996 667841548 /nfs/dbraw/zinc/84/15/48/667841548.db2.gz QLVWEFJNBWTGDX-ZIAGYGMSSA-N 2 0 350.438 0.951 10 0 FCAERP O=S(=O)(C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)N1CCCCC1 ZINC000923548844 667847586 /nfs/dbraw/zinc/84/75/86/667847586.db2.gz AXQIJFYGHZPAFD-HNNXBMFYSA-N 2 0 357.520 0.788 10 0 FCAERP CC[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923586986 667852576 /nfs/dbraw/zinc/85/25/76/667852576.db2.gz KDXQRZBTRJKSJE-UHFFFAOYSA-N 2 0 352.504 0.215 10 0 FCAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923600619 667864494 /nfs/dbraw/zinc/86/44/94/667864494.db2.gz ACTQCSLPNHCHMQ-BBWFWOEESA-N 2 0 358.552 0.559 10 0 FCAERP CS[C@@H]1CN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C[C@@H]1[NH+](C)C ZINC000867021040 669188580 /nfs/dbraw/zinc/18/85/80/669188580.db2.gz OUSJDSXBADGGBO-MELADBBJSA-N 2 0 374.551 0.945 10 0 FCAERP CS[C@H]1CN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C[C@@H]1[NH+](C)C ZINC000867021039 669188643 /nfs/dbraw/zinc/18/86/43/669188643.db2.gz OUSJDSXBADGGBO-IHRRRGAJSA-N 2 0 374.551 0.945 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000843067787 670772572 /nfs/dbraw/zinc/77/25/72/670772572.db2.gz IMBLHFAMFRNLID-CZUORRHYSA-N 2 0 361.408 0.937 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000844223001 670910729 /nfs/dbraw/zinc/91/07/29/670910729.db2.gz QHSGZQGGORKPST-QGZVFWFLSA-N 3 0 352.523 0.535 10 0 FCAERP CN(Cc1cscn1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867406741 671090946 /nfs/dbraw/zinc/09/09/46/671090946.db2.gz LCPBWAZLQCQNDC-ZIAGYGMSSA-N 2 0 367.519 0.299 10 0 FCAERP CS[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C[C@@H]1[NH+](C)C ZINC000849569406 671353123 /nfs/dbraw/zinc/35/31/23/671353123.db2.gz SZBVMOOGCBSVAE-WCXIOVBPSA-N 2 0 365.547 0.959 10 0 FCAERP C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000903283924 675924397 /nfs/dbraw/zinc/92/43/97/675924397.db2.gz YEPOEAAZYRQUSC-QFBILLFUSA-N 2 0 351.491 0.971 10 0 FCAERP CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903442196 675930596 /nfs/dbraw/zinc/93/05/96/675930596.db2.gz JSLDSDUYWDWRKS-CABCVRRESA-N 2 0 352.504 0.844 10 0 FCAERP CCCCOCCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903509376 675935795 /nfs/dbraw/zinc/93/57/95/675935795.db2.gz GRTNEECHFQQCFQ-HDICACEKSA-N 2 0 352.523 0.820 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C[NH2+]1 ZINC000861689773 671981121 /nfs/dbraw/zinc/98/11/21/671981121.db2.gz GCNHKQUWAOLPHV-OSRDXIQISA-N 2 0 351.451 0.094 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903732095 675964885 /nfs/dbraw/zinc/96/48/85/675964885.db2.gz OTMXVQRTGSMJAF-NWDGAFQWSA-N 2 0 350.385 0.279 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CCS1 ZINC000903736587 675965514 /nfs/dbraw/zinc/96/55/14/675965514.db2.gz FBHDHLFSJNNHHZ-BMFZPTHFSA-N 2 0 366.531 0.378 10 0 FCAERP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903742460 675966298 /nfs/dbraw/zinc/96/62/98/675966298.db2.gz PBLCEKPXRVGHTC-VXGBXAGGSA-N 2 0 350.385 0.279 10 0 FCAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903753437 675967836 /nfs/dbraw/zinc/96/78/36/675967836.db2.gz PIJFLIIORXMSBH-FDYHWXHSSA-N 2 0 362.396 0.277 10 0 FCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)CC[C@H]21 ZINC000903759794 675969393 /nfs/dbraw/zinc/96/93/93/675969393.db2.gz QKITUYFLKXMHAN-FDYHWXHSSA-N 2 0 362.396 0.277 10 0 FCAERP NS(=O)(=O)c1ccc(N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903906239 675981528 /nfs/dbraw/zinc/98/15/28/675981528.db2.gz UDZFTYJGNGVYMR-MQVJKMGUSA-N 2 0 364.515 0.987 10 0 FCAERP C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549712 672135972 /nfs/dbraw/zinc/13/59/72/672135972.db2.gz PLCHEUGRMFYRBA-BMFZPTHFSA-N 2 0 350.463 0.644 10 0 FCAERP CCOC(=O)CC1([NH2+]C[C@H](C[NH3+])Cc2cnn(C)c2C)CCOCC1 ZINC000903933239 675983564 /nfs/dbraw/zinc/98/35/64/675983564.db2.gz MVNMVSFQDAWIRF-HNNXBMFYSA-N 2 0 352.479 0.938 10 0 FCAERP CC[C@@H]1C[C@H](C)CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867493935 672325561 /nfs/dbraw/zinc/32/55/61/672325561.db2.gz SPNOQDLCTJOBLY-YLFCFFPRSA-N 2 0 352.523 0.831 10 0 FCAERP CC[C@H]1C[C@@H](C)CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867493934 672325705 /nfs/dbraw/zinc/32/57/05/672325705.db2.gz SPNOQDLCTJOBLY-VQHPVUNQSA-N 2 0 352.523 0.831 10 0 FCAERP C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867542716 672334825 /nfs/dbraw/zinc/33/48/25/672334825.db2.gz NIKSIWWQBIIJQK-QBPKDAKJSA-N 2 0 352.523 0.831 10 0 FCAERP CSC[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867546917 672335113 /nfs/dbraw/zinc/33/51/13/672335113.db2.gz UJLLJGYFWFUXCN-BZUAXINKSA-N 2 0 370.563 0.538 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000868370195 672396046 /nfs/dbraw/zinc/39/60/46/672396046.db2.gz MACSLCXRORSRLM-DNVCBOLYSA-N 2 0 350.507 0.905 10 0 FCAERP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@@](C[NH3+])(C(C)(C)C)C3)C2)C1 ZINC000868411211 672399243 /nfs/dbraw/zinc/39/92/43/672399243.db2.gz NPTWFDJKFUKLRU-OALUTQOASA-N 2 0 350.507 0.764 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000868421224 672400043 /nfs/dbraw/zinc/40/00/43/672400043.db2.gz JKFBNVNZASFIGY-DLBZAZTESA-N 2 0 350.507 0.920 10 0 FCAERP CCOC(=O)c1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)on1 ZINC000870017202 672461327 /nfs/dbraw/zinc/46/13/27/672461327.db2.gz IVHYDWAXNXTZEZ-CHWSQXEVSA-N 2 0 352.435 0.663 10 0 FCAERP Cn1nnc(Br)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018609 672461668 /nfs/dbraw/zinc/46/16/68/672461668.db2.gz TXPPJONLOXNGKX-GHMZBOCLSA-N 2 0 373.299 0.389 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)s2)C[C@H]1C[NH+](C)C ZINC000870023232 672462133 /nfs/dbraw/zinc/46/21/33/672462133.db2.gz OXMUVMIOZKXSJA-VXGBXAGGSA-N 2 0 374.532 0.207 10 0 FCAERP 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ZINC001488966467 1208589480 /nfs/dbraw/zinc/58/94/80/1208589480.db2.gz UKJJOVIEBDJSLL-HRCADAONSA-N 2 0 350.507 0.824 10 0 FCAERP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001489015929 1208607598 /nfs/dbraw/zinc/60/75/98/1208607598.db2.gz AOEZRDDIWCEUQH-BPLDGKMQSA-N 2 0 352.483 0.579 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001489133856 1208636764 /nfs/dbraw/zinc/63/67/64/1208636764.db2.gz YLQDOJWZQWGXRF-HRCADAONSA-N 2 0 359.536 0.732 10 0 FCAERP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CCCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001489200829 1208663146 /nfs/dbraw/zinc/66/31/46/1208663146.db2.gz NMAMAFZRCONIIW-BBWFWOEESA-N 2 0 371.547 0.543 10 0 FCAERP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NCC4CC4)CC[C@@H]3C2)C1 ZINC001489205022 1208667352 /nfs/dbraw/zinc/66/73/52/1208667352.db2.gz BGHGTDKATBCAQA-KURKYZTESA-N 2 0 362.518 0.635 10 0 FCAERP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001489530173 1208884940 /nfs/dbraw/zinc/88/49/40/1208884940.db2.gz HXIRVFRPEDROGF-HZPDHXFCSA-N 2 0 368.522 0.401 10 0 FCAERP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+](C)CC)C[C@H]1OC ZINC001489534998 1208896354 /nfs/dbraw/zinc/89/63/54/1208896354.db2.gz KAXUYMDINYKSCG-HUUCEWRRSA-N 2 0 356.511 0.401 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001489584385 1209000885 /nfs/dbraw/zinc/00/08/85/1209000885.db2.gz VGFRQGKWVYZHSR-CVEARBPZSA-N 2 0 368.522 0.281 10 0 FCAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001489588817 1209008001 /nfs/dbraw/zinc/00/80/01/1209008001.db2.gz JGOQDANBWOGOEA-ZACQAIPSSA-N 2 0 368.522 0.281 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001489931757 1209164736 /nfs/dbraw/zinc/16/47/36/1209164736.db2.gz RUGWNXLHKMXNOY-GVDBMIGSSA-N 2 0 368.522 0.260 10 0 FCAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001490340505 1209325016 /nfs/dbraw/zinc/32/50/16/1209325016.db2.gz GCGREYKTYWBUGW-KBAYOESNSA-N 2 0 364.534 0.881 10 0 FCAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001490423824 1209350031 /nfs/dbraw/zinc/35/00/31/1209350031.db2.gz YEUQTNUWAJQEJI-BRWVUGGUSA-N 2 0 362.518 0.635 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCCN2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1C ZINC001490466240 1209354576 /nfs/dbraw/zinc/35/45/76/1209354576.db2.gz HCNOKNHTPLHTCB-IEBWSBKVSA-N 2 0 366.550 0.877 10 0 FCAERP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000851691234 1209515346 /nfs/dbraw/zinc/51/53/46/1209515346.db2.gz TUINJYFHOLXTBQ-FQEVSTJZSA-N 2 0 362.518 0.827 10 0 FCAERP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)c2)CC1 ZINC000852859184 1209568044 /nfs/dbraw/zinc/56/80/44/1209568044.db2.gz OFVZUKZRUGMJSJ-OAHLLOKOSA-N 2 0 359.430 0.426 10 0 FCAERP C[C@@H](NC(=O)C1=NO[C@H](C[NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000852872082 1209570286 /nfs/dbraw/zinc/57/02/86/1209570286.db2.gz AUOHKOMTEFUQPU-OCCSQVGLSA-N 2 0 363.437 0.858 10 0 FCAERP CC[C@@H]1CN(C(=O)C[C@H](O)CC(=O)N2C[C@@H](C)[NH2+][C@@H](CC)C2)C[C@H](C)[NH2+]1 ZINC000856408692 1209709759 /nfs/dbraw/zinc/70/97/59/1209709759.db2.gz RSWWNSHIULFASS-OEXSFMSHSA-N 2 0 368.522 0.325 10 0 FCAERP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861581496 1209872264 /nfs/dbraw/zinc/87/22/64/1209872264.db2.gz OPBSXHJRARKHJW-MAZHCROVSA-N 2 0 363.462 0.190 10 0 FCAERP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)N4C[C@H]5[C@@H](C4)[C@@H]5[NH+](C)C)C3)C[C@H]21 ZINC000861911712 1209888304 /nfs/dbraw/zinc/88/83/04/1209888304.db2.gz DIUAGSQFJCSXSG-OHTOQYHHSA-N 2 0 374.529 0.440 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000865058052 1209970395 /nfs/dbraw/zinc/97/03/95/1209970395.db2.gz GAYZISBWALGGFH-ILXRZTDVSA-N 2 0 370.494 0.421 10 0 FCAERP NC(=O)c1ccc(CC[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000866661477 1210000871 /nfs/dbraw/zinc/00/08/71/1210000871.db2.gz QKURHYAFGLUQJG-WMZOPIPTSA-N 2 0 358.486 0.908 10 0 FCAERP O=C(CC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCc2ccccc21 ZINC000866707899 1210002212 /nfs/dbraw/zinc/00/22/12/1210002212.db2.gz JULAOGAHSOSJKS-NXHRZFHOSA-N 2 0 370.453 0.833 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C3CCC3)C2)C[C@H]1C[NH+](C)C ZINC000867603594 1210017126 /nfs/dbraw/zinc/01/71/26/1210017126.db2.gz FVPLEGRDDQRWEZ-RCCFBDPRSA-N 2 0 364.534 0.833 10 0 FCAERP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868236338 1210046210 /nfs/dbraw/zinc/04/62/10/1210046210.db2.gz HVVBQDRPXQZEHK-ZWKOTPCHSA-N 2 0 373.501 0.536 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])cc2F)CC1 ZINC000868250386 1210047161 /nfs/dbraw/zinc/04/71/61/1210047161.db2.gz DDEWJNCBCJEYQL-CHWSQXEVSA-N 2 0 365.453 0.758 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc2F)CC1 ZINC000868250390 1210047453 /nfs/dbraw/zinc/04/74/53/1210047453.db2.gz DDEWJNCBCJEYQL-OLZOCXBDSA-N 2 0 365.453 0.758 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000868370515 1210056679 /nfs/dbraw/zinc/05/66/79/1210056679.db2.gz JDQQNRNBHZXZNT-ULQDDVLXSA-N 2 0 365.522 0.665 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)CC[C@@H]21 ZINC000868390857 1210060989 /nfs/dbraw/zinc/06/09/89/1210060989.db2.gz BJLQBJUCPZBCHM-OWLYRPNTSA-N 2 0 374.460 0.631 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCC1(C)C ZINC000868404797 1210062922 /nfs/dbraw/zinc/06/29/22/1210062922.db2.gz GKDPHJBKQRHPPX-DLBZAZTESA-N 2 0 358.486 0.882 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000868419800 1210064821 /nfs/dbraw/zinc/06/48/21/1210064821.db2.gz RJTDNRZTEUQWMJ-BRWVUGGUSA-N 2 0 366.506 0.299 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000868637258 1210070756 /nfs/dbraw/zinc/07/07/56/1210070756.db2.gz UWXFXYIBMZHXFC-CABCVRRESA-N 2 0 372.510 0.404 10 0 FCAERP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC[N@H+](CC(C)(C)O)C3)ccn2)CC1 ZINC000869781091 1210094462 /nfs/dbraw/zinc/09/44/62/1210094462.db2.gz DSRPTEOYSLWRGK-INIZCTEOSA-N 2 0 361.490 0.408 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccn(CCn3cccn3)n2)C[C@H]1C[NH+](C)C ZINC000870018097 1210099498 /nfs/dbraw/zinc/09/94/98/1210099498.db2.gz VUGAUKNLDYQFKH-IAGOWNOFSA-N 2 0 373.505 0.591 10 0 FCAERP Cc1ccc2ncc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c(=O)n2c1 ZINC000870024137 1210099961 /nfs/dbraw/zinc/09/99/61/1210099961.db2.gz UUXZMHOGLGMFEF-HZPDHXFCSA-N 2 0 371.485 0.814 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1C[NH+](C)C ZINC000870024532 1210100000 /nfs/dbraw/zinc/10/00/00/1210100000.db2.gz QYEUDQORVLKHEK-HZPDHXFCSA-N 2 0 357.462 0.474 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C[C@H]1C[NH+](C)C ZINC000870024209 1210100301 /nfs/dbraw/zinc/10/03/01/1210100301.db2.gz KXRLAZVICWRBRR-BRWVUGGUSA-N 2 0 364.534 0.975 10 0 FCAERP O=C(N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000870996712 1210124965 /nfs/dbraw/zinc/12/49/65/1210124965.db2.gz FVPVXPLYHWEFJB-PDOICOKGSA-N 2 0 370.453 0.311 10 0 FCAERP CN(CCCCCC[NH3+])C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000872189986 1210176237 /nfs/dbraw/zinc/17/62/37/1210176237.db2.gz KUXNKRJNAVVCDS-UHFFFAOYSA-N 2 0 368.522 0.535 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000872192397 1210176721 /nfs/dbraw/zinc/17/67/21/1210176721.db2.gz VFDQLBXFDAVVCB-WAOWUJCRSA-N 2 0 370.497 0.787 10 0 FCAERP CN(CCCCCC[NH3+])C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000872192882 1210177307 /nfs/dbraw/zinc/17/73/07/1210177307.db2.gz MHQINPICWYEEFT-KRWDZBQOSA-N 2 0 368.522 0.535 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872197072 1210178823 /nfs/dbraw/zinc/17/88/23/1210178823.db2.gz VVUPQRAQTTYWCT-UHFFFAOYSA-N 2 0 368.522 0.548 10 0 FCAERP COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000872250195 1210180633 /nfs/dbraw/zinc/18/06/33/1210180633.db2.gz FWNMBZKTBBOHTG-SPYBWZPUSA-N 2 0 367.490 0.324 10 0 FCAERP COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000872250197 1210181444 /nfs/dbraw/zinc/18/14/44/1210181444.db2.gz FWNMBZKTBBOHTG-ZRGWGRIASA-N 2 0 367.490 0.324 10 0 FCAERP Cc1cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1-n1cncn1 ZINC000872254980 1210182059 /nfs/dbraw/zinc/18/20/59/1210182059.db2.gz HUORKJPTQOBTEV-NXHRZFHOSA-N 2 0 368.441 0.943 10 0 FCAERP Cn1c2ccc(C[N@@H+]3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cc2sc1=O ZINC000872256917 1210183532 /nfs/dbraw/zinc/18/35/32/1210183532.db2.gz FSTMEGVBZNLKMD-YUELXQCFSA-N 2 0 374.466 0.967 10 0 FCAERP [NH3+][C@H](CC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccccc1 ZINC000872255563 1210183941 /nfs/dbraw/zinc/18/39/41/1210183941.db2.gz ZEWSFKKORACCGY-ZACQAIPSSA-N 2 0 358.442 0.860 10 0 FCAERP CC(C)[C@@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCCCC1 ZINC000872304487 1210188922 /nfs/dbraw/zinc/18/89/22/1210188922.db2.gz XNVVIPZWYQCNNF-YVSFHVDLSA-N 2 0 364.490 0.890 10 0 FCAERP CCC[C@H](C)C(=O)NCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875617205 1210385338 /nfs/dbraw/zinc/38/53/38/1210385338.db2.gz DYMGXNRMQNEHPG-GVDBMIGSSA-N 2 0 369.554 0.920 10 0 FCAERP O=C(NC1(C[NH2+][C@H]2CCCNC2=O)CCOCC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001273980113 1210705218 /nfs/dbraw/zinc/70/52/18/1210705218.db2.gz ULMJLAYXOQPHIL-MCIONIFRSA-N 2 0 361.446 0.047 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001490816907 1211356494 /nfs/dbraw/zinc/35/64/94/1211356494.db2.gz RHZFXHFOOQEKCD-VQHPVUNQSA-N 2 0 350.507 0.917 10 0 FCAERP CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925841307 1211508886 /nfs/dbraw/zinc/50/88/86/1211508886.db2.gz QHCDPPSSFCSBGW-KZNAEPCWSA-N 2 0 358.486 0.739 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)N3CCNCC[NH2+]CC3)cc2)CC1 ZINC000925912775 1211509510 /nfs/dbraw/zinc/50/95/10/1211509510.db2.gz GPEDMXLOKQTENH-UHFFFAOYSA-N 2 0 360.506 0.855 10 0 FCAERP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926295137 1211527506 /nfs/dbraw/zinc/52/75/06/1211527506.db2.gz ZWSHWTPIPPHJOU-MRXNPFEDSA-N 2 0 368.522 0.389 10 0 FCAERP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC000926332843 1211533017 /nfs/dbraw/zinc/53/30/17/1211533017.db2.gz HGZMCLGINOOBRN-LJQANCHMSA-N 2 0 366.506 0.300 10 0 FCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926347118 1211536483 /nfs/dbraw/zinc/53/64/83/1211536483.db2.gz MPXFKPROZUAKDG-IBGZPJMESA-N 2 0 362.474 0.914 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[C@@H]1C[NH3+] ZINC000926369073 1211540817 /nfs/dbraw/zinc/54/08/17/1211540817.db2.gz ZUXCOSYTICRZBU-XLMAVXFVSA-N 2 0 362.518 0.905 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[C@H]1C[NH3+] ZINC000926391490 1211544357 /nfs/dbraw/zinc/54/43/57/1211544357.db2.gz NVNHWZKCORHLAC-CVEARBPZSA-N 2 0 366.506 0.143 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CCN1c1cc[nH+]cc1 ZINC000926392954 1211544437 /nfs/dbraw/zinc/54/44/37/1211544437.db2.gz BZIIHBVHLGWOSK-BZUAXINKSA-N 2 0 359.474 0.562 10 0 FCAERP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926400074 1211545744 /nfs/dbraw/zinc/54/57/44/1211545744.db2.gz XMNWGKMBNQSPIG-JXFKEZNVSA-N 2 0 371.485 0.863 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926410282 1211547337 /nfs/dbraw/zinc/54/73/37/1211547337.db2.gz JAHMQDOUBLMJNO-SFHVURJKSA-N 2 0 366.506 0.166 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926655876 1211552787 /nfs/dbraw/zinc/55/27/87/1211552787.db2.gz DKZNRVXFYLGKQZ-XDNAFOTISA-N 2 0 368.522 0.848 10 0 FCAERP CCO[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1)C[NH+](C)C ZINC000926842838 1211556843 /nfs/dbraw/zinc/55/68/43/1211556843.db2.gz SHACIJNTPZOHGM-OAHLLOKOSA-N 2 0 365.478 0.889 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927639508 1211578264 /nfs/dbraw/zinc/57/82/64/1211578264.db2.gz BPHOCXHICVNKNM-QZTJIDSGSA-N 2 0 368.522 0.992 10 0 FCAERP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000927810262 1211582711 /nfs/dbraw/zinc/58/27/11/1211582711.db2.gz WBKGYIAQYZBIMQ-RDTXWAMCSA-N 2 0 373.501 0.880 10 0 FCAERP C[NH2+]CCN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)C(C)C ZINC000927864542 1211586981 /nfs/dbraw/zinc/58/69/81/1211586981.db2.gz LRPPDWUAXCPKQG-UHFFFAOYSA-N 2 0 361.490 0.833 10 0 FCAERP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000927881542 1211589275 /nfs/dbraw/zinc/58/92/75/1211589275.db2.gz HFYXOGGIGYMPSU-FQEVSTJZSA-N 2 0 374.485 0.576 10 0 FCAERP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)c1 ZINC000927886072 1211590030 /nfs/dbraw/zinc/59/00/30/1211590030.db2.gz OVWXPRITUFCCQA-LJQANCHMSA-N 2 0 362.474 0.779 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[C@H]1C[NH3+] ZINC000927890041 1211590417 /nfs/dbraw/zinc/59/04/17/1211590417.db2.gz DWVUYLXSEKKGBS-KGLIPLIRSA-N 2 0 362.478 0.532 10 0 FCAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000927924895 1211593226 /nfs/dbraw/zinc/59/32/26/1211593226.db2.gz GNQFLVDWKZQQCQ-SFHVURJKSA-N 2 0 354.414 0.950 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2cccc(C(=O)N[C@H]3CC[N@H+](C)[C@H]3C)c2N)CC[NH+]1C ZINC000928432464 1211602012 /nfs/dbraw/zinc/60/20/12/1211602012.db2.gz JWGJBSISACCSKO-AZQPONJRSA-N 2 0 373.501 0.914 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)c2N)CC[NH+]1C ZINC000928432472 1211602262 /nfs/dbraw/zinc/60/22/62/1211602262.db2.gz JWGJBSISACCSKO-DLTLXFJOSA-N 2 0 373.501 0.914 10 0 FCAERP C[NH+](C)CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccnc1 ZINC000928838579 1211611584 /nfs/dbraw/zinc/61/15/84/1211611584.db2.gz LPNHQHVIBZOBDG-IAGOWNOFSA-N 2 0 361.490 0.601 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000929186362 1211621421 /nfs/dbraw/zinc/62/14/21/1211621421.db2.gz QQBARTRGEPLLFK-BBTUJRGHSA-N 2 0 372.513 0.686 10 0 FCAERP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)c1cccnc1 ZINC000929289185 1211627793 /nfs/dbraw/zinc/62/77/93/1211627793.db2.gz ZYAVYDRCCOLDAB-GOSISDBHSA-N 2 0 373.501 0.934 10 0 FCAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000929400638 1211635813 /nfs/dbraw/zinc/63/58/13/1211635813.db2.gz BZTBPHAWDGAUHN-PDOICOKGSA-N 2 0 364.534 0.881 10 0 FCAERP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000929430447 1211638541 /nfs/dbraw/zinc/63/85/41/1211638541.db2.gz XUVZECWIBRQXQW-UHFFFAOYSA-N 2 0 369.554 0.176 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccnc1 ZINC000929570093 1211647853 /nfs/dbraw/zinc/64/78/53/1211647853.db2.gz VQJAAQRZKINGPJ-RCCFBDPRSA-N 2 0 373.501 0.934 10 0 FCAERP CON1CC[C@H]([NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1=O ZINC000930071134 1211685712 /nfs/dbraw/zinc/68/57/12/1211685712.db2.gz CIBRKUOKABHYGE-KRWDZBQOSA-N 2 0 366.506 0.853 10 0 FCAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000930201819 1211695709 /nfs/dbraw/zinc/69/57/09/1211695709.db2.gz HVRVKOPUHTVYPA-ZACQAIPSSA-N 2 0 366.506 0.035 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C[N@@H+]1C1CC1 ZINC000930482245 1211708653 /nfs/dbraw/zinc/70/86/53/1211708653.db2.gz YYXHUABTFYTNHW-CPUCHLNUSA-N 2 0 364.490 0.097 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@@H](C(N)=O)[C@@H]2C)C1 ZINC000930916221 1211728510 /nfs/dbraw/zinc/72/85/10/1211728510.db2.gz OIBGTUQLPCIWJV-YYIAUSFCSA-N 2 0 368.522 0.434 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cccnc1 ZINC000930950403 1211730596 /nfs/dbraw/zinc/73/05/96/1211730596.db2.gz ZIJHFIJPTYPEIG-UAGQMJEPSA-N 2 0 361.490 0.647 10 0 FCAERP CCn1cc(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000931256397 1211747649 /nfs/dbraw/zinc/74/76/49/1211747649.db2.gz YKGXRNNIXDLAMR-UHFFFAOYSA-N 2 0 357.462 0.564 10 0 FCAERP C[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001490855620 1212515138 /nfs/dbraw/zinc/51/51/38/1212515138.db2.gz NASVLUQQYLNUPH-OIISXLGYSA-N 2 0 366.506 0.297 10 0 FCAERP O=C(NC[C@@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC000900839881 1218045477 /nfs/dbraw/zinc/04/54/77/1218045477.db2.gz INWKUEOHBHPEMH-HOTGVXAUSA-N 2 0 360.502 0.579 10 0 FCAERP CC(C)N1CCO[C@@H](C(=[NH2+])NOCC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000902325607 1218245048 /nfs/dbraw/zinc/24/50/48/1218245048.db2.gz RNLLBDXTNHDXLN-MRXNPFEDSA-N 2 0 369.510 0.583 10 0 FCAERP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495116 1218426938 /nfs/dbraw/zinc/42/69/38/1218426938.db2.gz VVACONRKSOKESF-OWCLPIDISA-N 2 0 362.474 0.869 10 0 FCAERP Cc1cc(N2CC[C@H](N3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)C2=O)n(C)n1 ZINC000903506949 1218431028 /nfs/dbraw/zinc/43/10/28/1218431028.db2.gz GQPASYBUAPLGMA-KSZLIROESA-N 2 0 372.517 0.734 10 0 FCAERP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000903772628 1218521776 /nfs/dbraw/zinc/52/17/76/1218521776.db2.gz SHYYWFFTBKJPKR-ZWKOTPCHSA-N 2 0 372.513 0.958 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C[C@H]1CC[NH3+] ZINC000903778790 1218523792 /nfs/dbraw/zinc/52/37/92/1218523792.db2.gz SAENFDRIAIEINF-BZUAXINKSA-N 2 0 359.474 0.562 10 0 FCAERP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000903786059 1218526176 /nfs/dbraw/zinc/52/61/76/1218526176.db2.gz VDWNKIPJZPTVSX-SJORKVTESA-N 2 0 366.506 0.158 10 0 FCAERP Cc1c(C[C@H](C[NH3+])CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cnn1C ZINC000903909938 1218561519 /nfs/dbraw/zinc/56/15/19/1218561519.db2.gz IZCXCYPPQAFJNP-YVWKXTFCSA-N 2 0 362.566 0.804 10 0 FCAERP Cc1c(C[C@H](C[NH3+])CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cnn1C ZINC000903980788 1218579674 /nfs/dbraw/zinc/57/96/74/1218579674.db2.gz ZXWQNZRNPRAEES-AHRSYUTCSA-N 3 0 360.550 0.747 10 0 FCAERP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)ccc1N1CC[NH+](C)CC1 ZINC001115873641 1221322973 /nfs/dbraw/zinc/32/29/73/1221322973.db2.gz NDMGAPRQRSAHBL-KRWDZBQOSA-N 2 0 373.501 0.896 10 0 FCAERP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)ccc1N1CC[NH+](C)CC1 ZINC001115873642 1221323097 /nfs/dbraw/zinc/32/30/97/1221323097.db2.gz NDMGAPRQRSAHBL-QGZVFWFLSA-N 2 0 373.501 0.896 10 0 FCAERP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1(C)C ZINC001118505546 1221790760 /nfs/dbraw/zinc/79/07/60/1221790760.db2.gz GCLFGKXBVKPCQL-DNVCBOLYSA-N 2 0 368.522 0.626 10 0 FCAERP CC[C@@]1(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[NH2+]C1 ZINC001118514421 1221792781 /nfs/dbraw/zinc/79/27/81/1221792781.db2.gz YYUFSOPBBBKPHW-HNAYVOBHSA-N 2 0 360.506 0.915 10 0 FCAERP CC(=O)N1CCC(NC(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001118959567 1221850524 /nfs/dbraw/zinc/85/05/24/1221850524.db2.gz OZLMAWSSVJXXLK-GOSISDBHSA-N 2 0 366.506 0.204 10 0 FCAERP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001119692089 1221951782 /nfs/dbraw/zinc/95/17/82/1221951782.db2.gz BZMOKKJIHJZAOA-YESZJQIVSA-N 2 0 366.506 0.345 10 0 FCAERP [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)N1CCC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC001119703381 1221953577 /nfs/dbraw/zinc/95/35/77/1221953577.db2.gz PFMNTYJVKXDYDB-HZPDHXFCSA-N 2 0 364.490 0.040 10 0 FCAERP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1)[C@@H]1CCC[C@H]1O ZINC001138163071 1222487542 /nfs/dbraw/zinc/48/75/42/1222487542.db2.gz ALBSCVRBIUNOMR-GUDVDZBRSA-N 2 0 361.486 0.715 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CC[C@H]5C[N@@H+](C)C[C@@H]54)C3)[C@H]2C1 ZINC000839776418 1222756876 /nfs/dbraw/zinc/75/68/76/1222756876.db2.gz KUSGNAVLOOELED-WXJALIKYSA-N 2 0 374.529 0.728 10 0 FCAERP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCC[NH+](C(C)C)C2)CC1=O ZINC001141738820 1222763933 /nfs/dbraw/zinc/76/39/33/1222763933.db2.gz BOACVOCDYXUDJM-IRXDYDNUSA-N 2 0 368.522 0.402 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000841847252 1222830621 /nfs/dbraw/zinc/83/06/21/1222830621.db2.gz UJPGQPWAQZZOIC-JSGCOSHPSA-N 2 0 363.414 0.814 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000843331920 1222870596 /nfs/dbraw/zinc/87/05/96/1222870596.db2.gz DLMJWABHCWQLNT-AWEZNQCLSA-N 2 0 363.414 0.814 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)cn1 ZINC000849515351 1245398035 /nfs/dbraw/zinc/39/80/35/1245398035.db2.gz DBQOQWSPDNMLQE-DLBZAZTESA-N 2 0 359.478 0.852 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849606695 1245407436 /nfs/dbraw/zinc/40/74/36/1245407436.db2.gz CFUDCELUIFIBIB-ZWKOTPCHSA-N 2 0 364.538 0.455 10 0 FCAERP C[C@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@H]([NH3+])c1ccccc1 ZINC000870999319 1245432434 /nfs/dbraw/zinc/43/24/34/1245432434.db2.gz MQOHCDWFELWMGT-RKOFLFEYSA-N 2 0 358.442 0.716 10 0 FCAERP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)nc2)C1 ZINC000897103374 1245466104 /nfs/dbraw/zinc/46/61/04/1245466104.db2.gz HXOOHJFKOSBHAS-DLBZAZTESA-N 2 0 359.474 0.881 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000911544699 1245511155 /nfs/dbraw/zinc/51/11/55/1245511155.db2.gz KJFYVDKGKFPVPK-GTPINHCMSA-N 2 0 366.506 0.456 10 0 FCAERP C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC000918479215 1245579041 /nfs/dbraw/zinc/57/90/41/1245579041.db2.gz ZNCDOCBXYLAKFF-KRWDZBQOSA-N 2 0 373.501 0.977 10 0 FCAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000923412994 1245718037 /nfs/dbraw/zinc/71/80/37/1245718037.db2.gz CDTFEZIXTZVBRK-SHFYGJNESA-N 2 0 365.405 0.432 10 0 FCAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000923412996 1245718134 /nfs/dbraw/zinc/71/81/34/1245718134.db2.gz CDTFEZIXTZVBRK-SMKXDYDZSA-N 2 0 365.405 0.432 10 0 FCAERP O[C@H]1CC[NH+](C2CCN(CCN3CCC([N@@H+]4CC[C@H](O)C4)CC3)CC2)C1 ZINC001327914148 1265451926 /nfs/dbraw/zinc/45/19/26/1265451926.db2.gz VBFAYRQTMFMUFY-PMACEKPBSA-N 2 0 366.550 0.048 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001328352914 1265538431 /nfs/dbraw/zinc/53/84/31/1265538431.db2.gz ZUOGKHZZZLZXCC-IAGOWNOFSA-N 2 0 365.522 0.903 10 0 FCAERP C[C@@H](C(N)=O)N1CC[NH+](CCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001328502065 1265563192 /nfs/dbraw/zinc/56/31/92/1265563192.db2.gz WOMILBPYRDWNGP-IXDOHACOSA-N 2 0 367.538 0.105 10 0 FCAERP C[NH+](C)Cc1ccnc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c1 ZINC001517770849 1265632753 /nfs/dbraw/zinc/63/27/53/1265632753.db2.gz SGWOCHKZLYQYTO-MAUKXSAKSA-N 2 0 363.462 0.490 10 0 FCAERP 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CC[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001479461473 1263209677 /nfs/dbraw/zinc/20/96/77/1263209677.db2.gz SESWEUVNPAEGEZ-ARFHVFGLSA-N 2 0 368.522 0.483 10 0 FCAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NC3CCCC3)C2)C1 ZINC001479495203 1263223490 /nfs/dbraw/zinc/22/34/90/1263223490.db2.gz WEFGAIAQXWSJNS-YQQAZPJKSA-N 2 0 350.507 0.871 10 0 FCAERP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001479539736 1263245304 /nfs/dbraw/zinc/24/53/04/1263245304.db2.gz FOHPZVUXZHVFJD-IAGOWNOFSA-N 2 0 366.506 0.014 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C[NH2+]CC(=O)NC ZINC001479543854 1263247585 /nfs/dbraw/zinc/24/75/85/1263247585.db2.gz NTZHJDDRHBPZGE-BRWVUGGUSA-N 2 0 368.522 0.448 10 0 FCAERP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O)[NH+](C)C ZINC001479581346 1263265081 /nfs/dbraw/zinc/26/50/81/1263265081.db2.gz TZERVJMDNXPSQT-OWCLPIDISA-N 2 0 366.506 0.692 10 0 FCAERP 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O=C(Cc1c[nH]cn1)NC[C@H]1CC[C@@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001264480381 859362920 /nfs/dbraw/zinc/36/29/20/859362920.db2.gz UZIXWPJXNXSAMT-SOUVJXGZSA-N 2 0 368.503 0.652 10 0 FCAERP COC[C@@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001264558395 859385080 /nfs/dbraw/zinc/38/50/80/859385080.db2.gz NQNNVGPMYFTDDC-FPSMNIFISA-N 2 0 355.523 0.941 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C(C)C)CC[C@@H]2C1 ZINC001264655672 859416401 /nfs/dbraw/zinc/41/64/01/859416401.db2.gz JNWNKTMUWJQIOV-SJORKVTESA-N 2 0 352.523 0.975 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C2CC2)[C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001265162815 859453543 /nfs/dbraw/zinc/45/35/43/859453543.db2.gz NNPJFAJSTSPFBO-YUELXQCFSA-N 2 0 350.463 0.103 10 0 FCAERP CCCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001265776716 859465766 /nfs/dbraw/zinc/46/57/66/859465766.db2.gz AQUGUFWDRYBSMX-HZSPNIEDSA-N 2 0 355.483 0.047 10 0 FCAERP CCN(C(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1)C1CC1 ZINC001266409060 859480278 /nfs/dbraw/zinc/48/02/78/859480278.db2.gz BVAXXZHJHKJJFS-KBRIMQKVSA-N 2 0 350.507 0.822 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001268064645 859522446 /nfs/dbraw/zinc/52/24/46/859522446.db2.gz SIKXKYLVASWQHU-RWMBFGLXSA-N 2 0 366.428 0.832 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH2+]C[C@H](O)COC)CC2)CC[N@@H+]1C ZINC001269865362 859579472 /nfs/dbraw/zinc/57/94/72/859579472.db2.gz ZFLRKZIJJJYYKO-OKZBNKHCSA-N 2 0 355.523 0.942 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cc(C3CC3)no2)CC[N@@H+]1C ZINC001272425292 860153857 /nfs/dbraw/zinc/15/38/57/860153857.db2.gz KYPHZLNAFMWUSF-UKPHBRMFSA-N 2 0 350.463 0.849 10 0 FCAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001281972310 864012039 /nfs/dbraw/zinc/01/20/39/864012039.db2.gz FRYDOSPJWAJZQY-BRWVUGGUSA-N 2 0 350.507 0.872 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]CC(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001282260761 864146552 /nfs/dbraw/zinc/14/65/52/864146552.db2.gz MBAKENIWTYNWBW-RKHAHWSXSA-N 2 0 350.507 0.964 10 0 FCAERP CC(C)N1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)C1 ZINC001282386556 864240137 /nfs/dbraw/zinc/24/01/37/864240137.db2.gz RPJZSJKWBGOLLI-OWCLPIDISA-N 2 0 354.495 0.153 10 0 FCAERP C[NH+](C)CCCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001282449855 864266247 /nfs/dbraw/zinc/26/62/47/864266247.db2.gz FBPNOUNZHDWADC-TXPKVOOTSA-N 2 0 350.507 0.587 10 0 FCAERP CC[C@H](C(=O)NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)[NH+](C)C ZINC001282491107 864300522 /nfs/dbraw/zinc/30/05/22/864300522.db2.gz KNVDXEDGSYRLRQ-DJIMGWMZSA-N 2 0 352.523 0.879 10 0 FCAERP CCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001282731158 864421982 /nfs/dbraw/zinc/42/19/82/864421982.db2.gz RVPNQYRODHRXDM-VQHPVUNQSA-N 2 0 350.507 0.918 10 0 FCAERP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]21 ZINC001288980425 864836023 /nfs/dbraw/zinc/83/60/23/864836023.db2.gz XDZZGBSHYIEWJL-YESZJQIVSA-N 2 0 350.507 0.729 10 0 FCAERP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001289323312 865019203 /nfs/dbraw/zinc/01/92/03/865019203.db2.gz YLPMTJICWKBLOF-BRWVUGGUSA-N 2 0 350.507 0.777 10 0 FCAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001289828271 865292216 /nfs/dbraw/zinc/29/22/16/865292216.db2.gz DKQIFYHSRNAXOC-BRWVUGGUSA-N 2 0 350.507 0.729 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCOCC[NH+](C)C)CC1=O ZINC001295811440 865923662 /nfs/dbraw/zinc/92/36/62/865923662.db2.gz FJFMUGLMJMHVEU-JKSUJKDBSA-N 2 0 354.495 0.014 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC[N@@H+]1C ZINC001299389393 866172928 /nfs/dbraw/zinc/17/29/28/866172928.db2.gz SNVBPMSJQLVVEL-GVDBMIGSSA-N 2 0 352.523 0.972 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)[C@@H](C)C1 ZINC001349634275 866400798 /nfs/dbraw/zinc/40/07/98/866400798.db2.gz IWWHIVMDMMDLHT-GGXPGOJBSA-N 2 0 350.507 0.763 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC001350322649 866565940 /nfs/dbraw/zinc/56/59/40/866565940.db2.gz LVTOVCUWRSFSOF-ZBFHGGJFSA-N 2 0 353.511 0.759 10 0 FCAERP COC(=O)C1CC[NH+](CCCNC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC001350338592 866568582 /nfs/dbraw/zinc/56/85/82/866568582.db2.gz RFRYPOVZNCMHNT-INIZCTEOSA-N 2 0 353.463 0.098 10 0 FCAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC3CCN(CC(=O)N(C)C)CC3)C[N@@H+]2C1 ZINC001351188916 866807073 /nfs/dbraw/zinc/80/70/73/866807073.db2.gz YDOJMHGNFUKVFD-VYDXJSESSA-N 2 0 350.507 0.776 10 0 FCAERP CN1CCC([NH+]2CCC(NC(=O)NCC3([NH3+])CCOCC3)CC2)CC1 ZINC001351539889 866895410 /nfs/dbraw/zinc/89/54/10/866895410.db2.gz RWAFZPGMLASAFM-UHFFFAOYSA-N 2 0 353.511 0.352 10 0 FCAERP C[C@@H](NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C1CC1 ZINC001316629198 867365266 /nfs/dbraw/zinc/36/52/66/867365266.db2.gz IXVKVEGFUNGCSX-XPLWTBFPSA-N 2 0 350.507 0.726 10 0 FCAERP CNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001316664230 867385492 /nfs/dbraw/zinc/38/54/92/867385492.db2.gz PKZYSKZICKXGIT-QLFBSQMISA-N 2 0 354.495 0.106 10 0 FCAERP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001316759580 867460053 /nfs/dbraw/zinc/46/00/53/867460053.db2.gz VEUZSXSTPMQCGQ-IXDOHACOSA-N 2 0 350.507 0.777 10 0 FCAERP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001316794172 867493210 /nfs/dbraw/zinc/49/32/10/867493210.db2.gz KARHOHPPROUAIJ-JLSDUUJJSA-N 2 0 353.507 0.695 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CCCNC(=O)C(F)(F)F)CC[N@@H+]1C ZINC001316824984 867508991 /nfs/dbraw/zinc/50/89/91/867508991.db2.gz ZGRLXBBISQBBJU-CHWSQXEVSA-N 2 0 366.428 0.833 10 0 FCAERP COC(=O)CC(C)(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC001320036969 868063055 /nfs/dbraw/zinc/06/30/55/868063055.db2.gz FSWVPIRRHKLRLX-HNNXBMFYSA-N 2 0 357.495 0.733 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC2(CS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001321522618 868503421 /nfs/dbraw/zinc/50/34/21/868503421.db2.gz PIWKROGOWPXGCQ-QLFBSQMISA-N 2 0 359.536 0.636 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC001322103044 868735335 /nfs/dbraw/zinc/73/53/35/868735335.db2.gz HJCMADJSKIBSEH-HZPDHXFCSA-N 2 0 354.495 0.014 10 0 FCAERP COCC[N@@H+]1CCCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC001326017438 870141866 /nfs/dbraw/zinc/14/18/66/870141866.db2.gz BMKNUKNNTWIXFB-UHFFFAOYSA-N 2 0 350.467 0.305 10 0 FCAERP CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1)[NH+](C)C ZINC001343887159 870649769 /nfs/dbraw/zinc/64/97/69/870649769.db2.gz KEYNYUVMNSQFCX-JFIYKMOQSA-N 2 0 352.523 0.972 10 0 FCAERP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC001327522452 870923176 /nfs/dbraw/zinc/92/31/76/870923176.db2.gz SCPFZSWMSMAHPN-JKSUJKDBSA-N 2 0 354.495 0.204 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001345056569 871168234 /nfs/dbraw/zinc/16/82/34/871168234.db2.gz JKEDCNWZDMLXAL-ZACQAIPSSA-N 2 0 350.507 0.585 10 0 FCAERP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001345925119 871564305 /nfs/dbraw/zinc/56/43/05/871564305.db2.gz QAQFWMJSSZCNIW-TXPKVOOTSA-N 2 0 350.507 0.729 10 0 FCAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001328657084 871565486 /nfs/dbraw/zinc/56/54/86/871565486.db2.gz NEJFHLJPYKJXRJ-DZGCQCFKSA-N 2 0 350.467 0.182 10 0 FCAERP CC[C@H](C(=O)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1)[NH+](C)C ZINC001346242330 871723719 /nfs/dbraw/zinc/72/37/19/871723719.db2.gz DCJVGHUDYNJILK-BZUAXINKSA-N 2 0 352.523 0.879 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001329504996 872075594 /nfs/dbraw/zinc/07/55/94/872075594.db2.gz SAUYADQJCMHCAY-YJBOKZPZSA-N 2 0 350.507 0.907 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cn1 ZINC001329619661 872140034 /nfs/dbraw/zinc/14/00/34/872140034.db2.gz GPFNMTMKHMNSQU-LSDHHAIUSA-N 2 0 350.467 0.372 10 0 FCAERP C[C@H](O)[C@@H]1C[NH+](CC[Si](C)(C)CC[N@@H+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC001329823700 872285939 /nfs/dbraw/zinc/28/59/39/872285939.db2.gz CVEDOAYYCGHMDA-XSLAGTTESA-N 2 0 374.598 0.858 10 0 FCAERP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001348865506 872817076 /nfs/dbraw/zinc/81/70/76/872817076.db2.gz WLJQSGFFPHHMRW-YJBOKZPZSA-N 2 0 350.507 0.382 10 0 FCAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)c1nccs1 ZINC001331457191 873112577 /nfs/dbraw/zinc/11/25/77/873112577.db2.gz YJODKEPGGUTRNN-BFHYXJOUSA-N 2 0 367.519 0.883 10 0 FCAERP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCN1C ZINC001332056029 873351056 /nfs/dbraw/zinc/35/10/56/873351056.db2.gz ASTNTWPUVSJXNT-IXDOHACOSA-N 2 0 350.507 0.728 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC001333533066 873994255 /nfs/dbraw/zinc/99/42/55/873994255.db2.gz VJTMOBVGZATXIY-GDBMZVCRSA-N 2 0 351.495 0.370 10 0 FCAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](O)C3(O)CCOCC3)CC2)CC1 ZINC000930751255 674055271 /nfs/dbraw/zinc/05/52/71/674055271.db2.gz RNURIUSTFLJPQL-GOSISDBHSA-N 2 0 355.523 0.381 10 0 FCAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)C3(O)CCOCC3)CC2)CC1 ZINC000930751256 674055303 /nfs/dbraw/zinc/05/53/03/674055303.db2.gz RNURIUSTFLJPQL-SFHVURJKSA-N 2 0 355.523 0.381 10 0 FCAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000333696326 215311010 /nfs/dbraw/zinc/31/10/10/215311010.db2.gz QHEAGPKKPLZNBJ-ROUUACIJSA-N 2 0 367.538 0.565 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000333737023 215315255 /nfs/dbraw/zinc/31/52/55/215315255.db2.gz XAQDZVBJDCCDLI-DLBZAZTESA-N 2 0 360.458 0.525 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000285196407 213301412 /nfs/dbraw/zinc/30/14/12/213301412.db2.gz QSVIHLGUBXRENH-ROUUACIJSA-N 2 0 360.502 0.828 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)NCC[N@H+](C)C2CC2)ccc1F ZINC000285085034 213281307 /nfs/dbraw/zinc/28/13/07/213281307.db2.gz PVUGNPQPHUHGFF-UHFFFAOYSA-N 2 0 350.438 0.714 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000284983599 213260639 /nfs/dbraw/zinc/26/06/39/213260639.db2.gz ISVHCBCJESFQAT-ZWKOTPCHSA-N 2 0 360.502 0.876 10 0 FCAERP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000366977234 216057971 /nfs/dbraw/zinc/05/79/71/216057971.db2.gz RYQUKVOXNSOQIT-KRWDZBQOSA-N 2 0 372.579 0.617 10 0 FCAERP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261755886 209478953 /nfs/dbraw/zinc/47/89/53/209478953.db2.gz FOZMFTJMHRWEQX-IXDOHACOSA-N 2 0 350.507 0.968 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000245456202 209367611 /nfs/dbraw/zinc/36/76/11/209367611.db2.gz BEZWXOAWTHNLDJ-ROUUACIJSA-N 2 0 354.539 0.876 10 0 FCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236841355 209344891 /nfs/dbraw/zinc/34/48/91/209344891.db2.gz LZHATYWNGBWYKD-IKGGRYGDSA-N 2 0 350.507 0.920 10 0 FCAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000192761841 209303918 /nfs/dbraw/zinc/30/39/18/209303918.db2.gz LRBPSCSAQKGCGQ-SFHVURJKSA-N 2 0 372.579 0.902 10 0 FCAERP [NH3+][C@@H]1CCC[C@H](NC(=O)C[C@]2(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC[NH2+]C2)C1 ZINC000368650943 216276669 /nfs/dbraw/zinc/27/66/69/216276669.db2.gz RKWJGEOIIYWFAH-MZZPOWALSA-N 3 0 365.522 0.128 10 0 FCAERP COC(=O)[C@H]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000191295494 209284653 /nfs/dbraw/zinc/28/46/53/209284653.db2.gz MPEOXIDDAKGHMT-ZBFHGGJFSA-N 2 0 354.495 0.853 10 0 FCAERP CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000190477631 209273120 /nfs/dbraw/zinc/27/31/20/209273120.db2.gz TZDBWLSGXQBJIV-MRXNPFEDSA-N 2 0 357.458 0.433 10 0 FCAERP CN1CCN(C(=O)CC[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000374775270 217170309 /nfs/dbraw/zinc/17/03/09/217170309.db2.gz HSROZQLSTXQJRR-SFHVURJKSA-N 3 0 351.539 0.252 10 0 FCAERP C[C@@H]1CCOCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000374988405 217200357 /nfs/dbraw/zinc/20/03/57/217200357.db2.gz NWTWARIAKBSWJR-CQSZACIVSA-N 2 0 373.461 0.123 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@]3(C2)CCCOC3)C1 ZINC000375293193 217245788 /nfs/dbraw/zinc/24/57/88/217245788.db2.gz QURPAVLONXVPPD-IEBWSBKVSA-N 2 0 353.507 0.962 10 0 FCAERP CNC(=O)CN1CCC[N@H+](CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000375680981 217297199 /nfs/dbraw/zinc/29/71/99/217297199.db2.gz TUPIUTYAZTWLDO-UHFFFAOYSA-N 2 0 373.545 0.952 10 0 FCAERP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000419156993 246022210 /nfs/dbraw/zinc/02/22/10/246022210.db2.gz UKZVSZCPCSWXQD-NVXWUHKLSA-N 2 0 352.523 0.975 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCC(C)CC1 ZINC000419159450 246023791 /nfs/dbraw/zinc/02/37/91/246023791.db2.gz OELMCVUXVKHEEL-PMRDEQMMSA-N 2 0 350.507 0.964 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419158820 246023819 /nfs/dbraw/zinc/02/38/19/246023819.db2.gz YJLLKFKFTZEGQQ-GOEBONIOSA-N 2 0 362.474 0.357 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419149665 246017883 /nfs/dbraw/zinc/01/78/83/246017883.db2.gz FPNXGZKSUBUOQI-NEWSRXKRSA-N 2 0 372.513 0.781 10 0 FCAERP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000419216348 246059561 /nfs/dbraw/zinc/05/95/61/246059561.db2.gz OZEOXPQRDASDNV-CALCHBBNSA-N 2 0 374.485 0.596 10 0 FCAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419412679 246147134 /nfs/dbraw/zinc/14/71/34/246147134.db2.gz CVILEELNWHTDGJ-INIZCTEOSA-N 2 0 361.490 0.668 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000419524193 246190608 /nfs/dbraw/zinc/19/06/08/246190608.db2.gz BMFPBIFEKGYCCK-PPWQZUPISA-N 2 0 352.479 0.349 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC3CC(C2)CC1C3 ZINC000419658359 246233784 /nfs/dbraw/zinc/23/37/84/246233784.db2.gz WPSBSKIISAICON-VQCIWKMKSA-N 2 0 374.529 0.999 10 0 FCAERP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419695391 246254095 /nfs/dbraw/zinc/25/40/95/246254095.db2.gz SDGBYIZOFNRJKM-OAHLLOKOSA-N 2 0 368.547 0.723 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419844722 246318935 /nfs/dbraw/zinc/31/89/35/246318935.db2.gz CSMVUOYPUDMKBX-KRWDZBQOSA-N 2 0 361.490 0.478 10 0 FCAERP [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000419858831 246328179 /nfs/dbraw/zinc/32/81/79/246328179.db2.gz INRTWBANEIBCPF-NVXWUHKLSA-N 2 0 350.507 0.955 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000419908102 246364103 /nfs/dbraw/zinc/36/41/03/246364103.db2.gz YEJZFLWTAPJTHA-GVDBMIGSSA-N 2 0 350.507 0.968 10 0 FCAERP CCc1ccc(CN2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)s1 ZINC000419879974 246345498 /nfs/dbraw/zinc/34/54/98/246345498.db2.gz ZZFUEUQBQZTZAE-INIZCTEOSA-N 2 0 364.515 0.808 10 0 FCAERP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423358182 247011019 /nfs/dbraw/zinc/01/10/19/247011019.db2.gz BIHJNOHUNDWVMG-GDBMZVCRSA-N 2 0 364.515 0.849 10 0 FCAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000423422997 247023927 /nfs/dbraw/zinc/02/39/27/247023927.db2.gz DMTUVIXWXVNELW-LPHOPBHVSA-N 2 0 350.507 0.779 10 0 FCAERP Cc1cnc(N)c(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c1 ZINC000444186463 248350799 /nfs/dbraw/zinc/35/07/99/248350799.db2.gz BPGFAHYEKMHGDO-UHFFFAOYSA-N 2 0 355.508 0.619 10 0 FCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000472469883 250150648 /nfs/dbraw/zinc/15/06/48/250150648.db2.gz YGXWELJHQVEMED-MRXNPFEDSA-N 2 0 355.527 0.912 10 0 FCAERP CC1=CC[NH+](CCNC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000481258804 250328011 /nfs/dbraw/zinc/32/80/11/250328011.db2.gz VXUZENRPTSRICG-DLBZAZTESA-N 2 0 350.507 0.991 10 0 FCAERP COCC[N@H+](C)CCNC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000091848674 208142326 /nfs/dbraw/zinc/14/23/26/208142326.db2.gz UMVRAPZECHUCKI-KRWDZBQOSA-N 2 0 355.527 0.376 10 0 FCAERP CC[NH+](CC)CCNC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000117468557 208345522 /nfs/dbraw/zinc/34/55/22/208345522.db2.gz ZCTOFFOPOJIERA-GOSISDBHSA-N 2 0 369.554 0.765 10 0 FCAERP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000091768737 229157573 /nfs/dbraw/zinc/15/75/73/229157573.db2.gz SKBHANJXUIYQIT-JKSUJKDBSA-N 2 0 351.495 0.419 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410498365 230104554 /nfs/dbraw/zinc/10/45/54/230104554.db2.gz OANNWVZACZXHIR-SJLPKXTDSA-N 2 0 362.518 0.872 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000310116109 488895174 /nfs/dbraw/zinc/89/51/74/488895174.db2.gz TWTCZNGTTVFSOW-KRWDZBQOSA-N 2 0 353.488 0.559 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCS(=O)(=O)c2ccccc2)CC1 ZINC000569803476 491193314 /nfs/dbraw/zinc/19/33/14/491193314.db2.gz YDEPWVJVBXXOQZ-MRXNPFEDSA-N 2 0 355.504 0.048 10 0 FCAERP CC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC[N@@H+]1C[C@@H](C)O ZINC000184735323 488397407 /nfs/dbraw/zinc/39/74/07/488397407.db2.gz JQTHFWDZSJGGKX-KZNAEPCWSA-N 2 0 370.538 0.830 10 0 FCAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)CC1 ZINC000075969097 488400655 /nfs/dbraw/zinc/40/06/55/488400655.db2.gz QVDNZYRGULPRQL-SFHVURJKSA-N 2 0 352.523 0.774 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cn1 ZINC000078030957 488419798 /nfs/dbraw/zinc/41/97/98/488419798.db2.gz DCHOBGJDJREECV-UHFFFAOYSA-N 2 0 371.489 0.991 10 0 FCAERP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091320671 488462695 /nfs/dbraw/zinc/46/26/95/488462695.db2.gz QBVMFWQQFIPIDQ-LSDHHAIUSA-N 2 0 354.520 0.868 10 0 FCAERP C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000249126416 488507105 /nfs/dbraw/zinc/50/71/05/488507105.db2.gz CJIMSCLGGTUEIL-IXDOHACOSA-N 2 0 359.536 0.986 10 0 FCAERP CC[C@]1(CO)CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000249550346 488511487 /nfs/dbraw/zinc/51/14/87/488511487.db2.gz HSIZZOXLWZCQAN-HKUYNNGSSA-N 2 0 355.523 0.944 10 0 FCAERP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106125169 488512136 /nfs/dbraw/zinc/51/21/36/488512136.db2.gz WEIXSDJSEBUOLB-HUUCEWRRSA-N 2 0 356.511 0.881 10 0 FCAERP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)c1ccccc1 ZINC000261865799 488539069 /nfs/dbraw/zinc/53/90/69/488539069.db2.gz CQKWIGAAILWEDZ-GVDBMIGSSA-N 2 0 353.488 0.712 10 0 FCAERP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)C1 ZINC000261908209 488540960 /nfs/dbraw/zinc/54/09/60/488540960.db2.gz SQFOOJOBSUJFNE-OAHLLOKOSA-N 2 0 360.458 0.830 10 0 FCAERP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C2([NH3+])CCOCC2)CC1 ZINC000261944671 488542950 /nfs/dbraw/zinc/54/29/50/488542950.db2.gz YAAGGDQKRJRVEL-UHFFFAOYSA-N 2 0 354.495 0.237 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1=O ZINC000262024284 488546425 /nfs/dbraw/zinc/54/64/25/488546425.db2.gz OZGVAYQWPYCJAC-XHSDSOJGSA-N 2 0 350.507 0.905 10 0 FCAERP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000262247661 488559833 /nfs/dbraw/zinc/55/98/33/488559833.db2.gz WPBCCOHLYQLMAD-INIZCTEOSA-N 2 0 366.531 0.875 10 0 FCAERP COc1cccc([C@@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)N(C)C)c1 ZINC000562985242 491205919 /nfs/dbraw/zinc/20/59/19/491205919.db2.gz KPJRZQJNUMMCMW-PKOBYXMFSA-N 2 0 350.507 0.496 10 0 FCAERP COc1cccc([C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)N(C)C)c1 ZINC000562985241 491206243 /nfs/dbraw/zinc/20/62/43/491206243.db2.gz KPJRZQJNUMMCMW-MJGOQNOKSA-N 2 0 350.507 0.496 10 0 FCAERP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000262403396 488568472 /nfs/dbraw/zinc/56/84/72/488568472.db2.gz AJZGJSGXNJXLMF-KCXAZCMYSA-N 2 0 366.487 0.783 10 0 FCAERP CCC1(CO)CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000128351670 488623749 /nfs/dbraw/zinc/62/37/49/488623749.db2.gz RHVCUFFACPHLRZ-KRWDZBQOSA-N 2 0 355.523 0.944 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)CC1 ZINC000563137615 491220048 /nfs/dbraw/zinc/22/00/48/491220048.db2.gz IAARXTSAMDTZLP-JKSUJKDBSA-N 2 0 357.445 0.314 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000570170699 491221588 /nfs/dbraw/zinc/22/15/88/491221588.db2.gz WBSVJQHOJQKNAD-QGZVFWFLSA-N 2 0 368.522 0.546 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000170745421 488816199 /nfs/dbraw/zinc/81/61/99/488816199.db2.gz NPOKBAWYYMQNPZ-ROUUACIJSA-N 2 0 352.523 0.630 10 0 FCAERP CN1CCO[C@@H](CNC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)C1 ZINC000171286285 488822001 /nfs/dbraw/zinc/82/20/01/488822001.db2.gz JOBFYPHKLYBQHF-KRWDZBQOSA-N 2 0 371.441 0.972 10 0 FCAERP O=C(NC[C@]1(N2CCOCC2)CCSC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171903882 488828254 /nfs/dbraw/zinc/82/82/54/488828254.db2.gz GRWLGCXGIJCWBH-NVXWUHKLSA-N 2 0 354.520 0.684 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172444916 488833947 /nfs/dbraw/zinc/83/39/47/488833947.db2.gz WPBHLNULLXRAPF-UHFFFAOYSA-N 2 0 368.522 0.853 10 0 FCAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000175803562 488855612 /nfs/dbraw/zinc/85/56/12/488855612.db2.gz OPAJPBQWXBKMQV-DLBZAZTESA-N 2 0 355.527 0.232 10 0 FCAERP CC[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1CCOC ZINC000175778969 488855712 /nfs/dbraw/zinc/85/57/12/488855712.db2.gz UAAMDFWFWALYML-QZTJIDSGSA-N 2 0 369.554 0.622 10 0 FCAERP Cc1n[nH]cc1C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000365198785 489048293 /nfs/dbraw/zinc/04/82/93/489048293.db2.gz NLTXZEDXYXZDDE-HNNXBMFYSA-N 2 0 371.489 0.654 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000282999756 489205367 /nfs/dbraw/zinc/20/53/67/489205367.db2.gz AMOGXWBYGUONIC-OTWHNJEPSA-N 2 0 372.513 0.971 10 0 FCAERP C[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@@H](C)C[N@@H+]1CCO ZINC000570426717 491240538 /nfs/dbraw/zinc/24/05/38/491240538.db2.gz XJFAGUAGSXKZOP-SJORKVTESA-N 2 0 368.522 0.728 10 0 FCAERP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000369859740 489282589 /nfs/dbraw/zinc/28/25/89/489282589.db2.gz CQODSZAOMWDZMT-ROUUACIJSA-N 2 0 363.506 0.049 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000563452566 491248988 /nfs/dbraw/zinc/24/89/88/491248988.db2.gz XVJMTIHPFUEEQS-UHFFFAOYSA-N 2 0 353.511 0.666 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000563459585 491249526 /nfs/dbraw/zinc/24/95/26/491249526.db2.gz XRZUCFMSSXHDNL-GOEBONIOSA-N 2 0 365.522 0.901 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000563540984 491253844 /nfs/dbraw/zinc/25/38/44/491253844.db2.gz BQVFSQMUKBIXNH-JKSUJKDBSA-N 2 0 368.522 0.450 10 0 FCAERP O=C(C(=O)N1CCC(C[NH+]2CCCC2)CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000423087754 489492136 /nfs/dbraw/zinc/49/21/36/489492136.db2.gz QGWGVTXXDXSSNR-UHFFFAOYSA-N 2 0 362.518 0.923 10 0 FCAERP [NH3+]C1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCCCC1 ZINC000563596518 491257198 /nfs/dbraw/zinc/25/71/98/491257198.db2.gz ZXTDJLNGCZFHDI-UHFFFAOYSA-N 2 0 365.522 0.988 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000563623565 491259189 /nfs/dbraw/zinc/25/91/89/491259189.db2.gz JFLJJUDPPAEZPT-QAPCUYQASA-N 2 0 358.486 0.871 10 0 FCAERP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000451793722 489524415 /nfs/dbraw/zinc/52/44/15/489524415.db2.gz WHSDVJVGXSJTEV-ZACQAIPSSA-N 2 0 369.506 0.781 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)c2)CC1 ZINC000415623217 489538245 /nfs/dbraw/zinc/53/82/45/489538245.db2.gz ZHJNUKYTLGZSEO-CRAIPNDOSA-N 2 0 373.501 0.881 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000415634127 489539142 /nfs/dbraw/zinc/53/91/42/489539142.db2.gz RQSQTMGYYFRJLE-IYBDPMFKSA-N 2 0 360.458 0.918 10 0 FCAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000563694168 491263683 /nfs/dbraw/zinc/26/36/83/491263683.db2.gz CDULPFFUANYCFA-APWZRJJASA-N 2 0 350.507 0.825 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417384339 489651128 /nfs/dbraw/zinc/65/11/28/489651128.db2.gz KZBILTLWPHRNFH-FUHWJXTLSA-N 3 0 360.506 0.891 10 0 FCAERP CCC(CC)[C@H](CNC(=O)N1CCN(CCO)C[C@H]1C)N1CCOCC1 ZINC000457619839 489651819 /nfs/dbraw/zinc/65/18/19/489651819.db2.gz POSGKCSYNQVPID-AEFFLSMTSA-N 2 0 370.538 0.831 10 0 FCAERP CCC(CC)[C@@H](CNC(=O)N1CCN(CCO)C[C@H]1C)N1CCOCC1 ZINC000457619851 489652004 /nfs/dbraw/zinc/65/20/04/489652004.db2.gz POSGKCSYNQVPID-SJLPKXTDSA-N 2 0 370.538 0.831 10 0 FCAERP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000457641333 489652531 /nfs/dbraw/zinc/65/25/31/489652531.db2.gz SFZAEFWBVLMOTI-QGZVFWFLSA-N 2 0 355.527 0.158 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417434523 489653473 /nfs/dbraw/zinc/65/34/73/489653473.db2.gz XHNRCWNHBYGECY-OLZOCXBDSA-N 2 0 361.437 0.226 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458244531 489675219 /nfs/dbraw/zinc/67/52/19/489675219.db2.gz UBQMEUUPPJTPRR-QGZVFWFLSA-N 2 0 356.511 0.633 10 0 FCAERP [NH3+][C@@H](CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000418442343 489699196 /nfs/dbraw/zinc/69/91/96/489699196.db2.gz DOHQMCRNXIPXSD-KRWDZBQOSA-N 2 0 359.474 0.636 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418555763 489707244 /nfs/dbraw/zinc/70/72/44/489707244.db2.gz DUFYRIQJCDTQQI-WBVHZDCISA-N 2 0 356.511 0.753 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@@H+]1C ZINC000418609498 489709693 /nfs/dbraw/zinc/70/96/93/489709693.db2.gz FQPHSWJLXSKJDQ-HZSPNIEDSA-N 2 0 365.444 0.947 10 0 FCAERP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC1 ZINC000418836078 489746606 /nfs/dbraw/zinc/74/66/06/489746606.db2.gz PAKSTYIPEPGPSY-SJORKVTESA-N 2 0 362.449 0.679 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000418867623 489765942 /nfs/dbraw/zinc/76/59/42/489765942.db2.gz MHUUSBDMMLXDHB-UHFFFAOYSA-N 2 0 350.507 0.827 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418877912 489770664 /nfs/dbraw/zinc/77/06/64/489770664.db2.gz PXYJTVDEKRHSDA-ZWKOTPCHSA-N 2 0 360.502 0.909 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418878612 489771387 /nfs/dbraw/zinc/77/13/87/489771387.db2.gz RFGSZKBNSGZUJN-FGTMMUONSA-N 2 0 358.486 0.628 10 0 FCAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000418879966 489771976 /nfs/dbraw/zinc/77/19/76/489771976.db2.gz URKOOJLGLOSZFC-RYQLBKOJSA-N 2 0 360.502 0.861 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418881391 489773529 /nfs/dbraw/zinc/77/35/29/489773529.db2.gz XHHJCMXAJZPTJO-MKXGPGLRSA-N 2 0 372.513 0.780 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418881381 489773759 /nfs/dbraw/zinc/77/37/59/489773759.db2.gz XFETVTGUUGYGTI-ROUUACIJSA-N 2 0 360.502 0.863 10 0 FCAERP CC(C)C[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)C(=O)NCC[NH+](C)C ZINC000474887517 489792523 /nfs/dbraw/zinc/79/25/23/489792523.db2.gz MXRZQPFURDKIEZ-HOCLYGCPSA-N 2 0 361.552 0.882 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667123230 493259601 /nfs/dbraw/zinc/25/96/01/493259601.db2.gz WTOCBJALYOOHEJ-UHFFFAOYSA-N 2 0 369.425 0.836 10 0 FCAERP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000459963592 489805828 /nfs/dbraw/zinc/80/58/28/489805828.db2.gz ZQBYZYYAWMMVOK-QGZVFWFLSA-N 2 0 350.507 0.873 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000418972648 489807926 /nfs/dbraw/zinc/80/79/26/489807926.db2.gz ZJBIFXZRPOOSFQ-MLGOLLRUSA-N 2 0 350.438 0.618 10 0 FCAERP C[N@H+](CCCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000419008221 489816427 /nfs/dbraw/zinc/81/64/27/489816427.db2.gz VHGBROBOAKDUNZ-HDICACEKSA-N 2 0 358.486 0.978 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000419041450 489831188 /nfs/dbraw/zinc/83/11/88/489831188.db2.gz KAMIYYBDZHFWOR-CALCHBBNSA-N 2 0 366.506 0.345 10 0 FCAERP COc1ccccc1[C@@H]1CNCCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419099693 489854813 /nfs/dbraw/zinc/85/48/13/489854813.db2.gz IHVYDBNAQBDOJC-INIZCTEOSA-N 2 0 360.458 0.379 10 0 FCAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420005824 489879474 /nfs/dbraw/zinc/87/94/74/489879474.db2.gz XFLKHNRUKKCMJK-QGZVFWFLSA-N 2 0 364.465 0.974 10 0 FCAERP CCC[C@]1(CO)CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000377503153 489912599 /nfs/dbraw/zinc/91/25/99/489912599.db2.gz BCRJVEBHNXXSSE-HKUYNNGSSA-N 2 0 355.523 0.944 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000420103896 489913249 /nfs/dbraw/zinc/91/32/49/489913249.db2.gz PYPUDRDSUKRGPB-DAXOMENPSA-N 2 0 350.438 0.659 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000420108810 489914509 /nfs/dbraw/zinc/91/45/09/489914509.db2.gz AFOLUPSSCXLSIN-UHOFOFEASA-N 2 0 350.438 0.659 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000420112416 489916452 /nfs/dbraw/zinc/91/64/52/489916452.db2.gz HMWRKJQTWLNBCP-RHSMWYFYSA-N 2 0 364.465 0.830 10 0 FCAERP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000420215109 489954895 /nfs/dbraw/zinc/95/48/95/489954895.db2.gz RTXKWDLDQFDLNC-FGTMMUONSA-N 2 0 362.518 0.825 10 0 FCAERP CNC(=O)[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000420777693 490022210 /nfs/dbraw/zinc/02/22/10/490022210.db2.gz HVTMNSPAMJQRPM-MRXNPFEDSA-N 2 0 374.489 0.371 10 0 FCAERP COC1([C@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCOCC1 ZINC000421040067 490045693 /nfs/dbraw/zinc/04/56/93/490045693.db2.gz WLHFFCHVEPAVRT-DLBZAZTESA-N 2 0 371.522 0.633 10 0 FCAERP [NH3+]C[C@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000479065644 490065203 /nfs/dbraw/zinc/06/52/03/490065203.db2.gz RRSZHAXRMYKOQC-WBVHZDCISA-N 2 0 362.449 0.538 10 0 FCAERP CN(C(=O)C(=O)NCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000479142183 490069661 /nfs/dbraw/zinc/06/96/61/490069661.db2.gz APPLZXAHZMEBJG-SFHVURJKSA-N 2 0 358.486 0.930 10 0 FCAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000556170084 491300141 /nfs/dbraw/zinc/30/01/41/491300141.db2.gz GICNNWOKZLCNSW-CALCHBBNSA-N 2 0 368.522 0.594 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000556171148 491300286 /nfs/dbraw/zinc/30/02/86/491300286.db2.gz SMIYNXWZPCPYKB-KRWDZBQOSA-N 2 0 366.506 0.159 10 0 FCAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000532998310 490154671 /nfs/dbraw/zinc/15/46/71/490154671.db2.gz MYTNORSBVAXARA-HUUCEWRRSA-N 2 0 364.494 0.762 10 0 FCAERP CC[NH+]1CCN(CC(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)CC1 ZINC000533005158 490156779 /nfs/dbraw/zinc/15/67/79/490156779.db2.gz JIGNDCQRDXQZJY-QGZVFWFLSA-N 2 0 360.506 0.798 10 0 FCAERP CN(C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000465962682 490157491 /nfs/dbraw/zinc/15/74/91/490157491.db2.gz WHPOBBDBJPVNKM-HOCLYGCPSA-N 2 0 351.495 0.452 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)N(C)CCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000520605927 490170101 /nfs/dbraw/zinc/17/01/01/490170101.db2.gz GYZZYHFMIRCYCN-CALCHBBNSA-N 2 0 352.523 0.977 10 0 FCAERP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000520774528 490189798 /nfs/dbraw/zinc/18/97/98/490189798.db2.gz RVJFPDIDPJGOJE-QGZVFWFLSA-N 2 0 367.538 0.119 10 0 FCAERP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC000422471600 490341213 /nfs/dbraw/zinc/34/12/13/490341213.db2.gz JUEXDNNNZJTMON-RDJZCZTQSA-N 2 0 355.442 0.893 10 0 FCAERP CC[N@@H+]1C[C@H](C)N(CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000498925805 490366171 /nfs/dbraw/zinc/36/61/71/490366171.db2.gz ACQOWRWYWWUZTR-OKZBNKHCSA-N 2 0 354.539 0.874 10 0 FCAERP CN1CCC([NH+]2CCC(NC(=O)NCCNc3cc[nH+]cc3)CC2)CC1 ZINC000534525033 490375099 /nfs/dbraw/zinc/37/50/99/490375099.db2.gz YNWHJWFXWOUFPE-UHFFFAOYSA-N 2 0 360.506 0.773 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000534523908 490375694 /nfs/dbraw/zinc/37/56/94/490375694.db2.gz AGPAQXRZOZAINW-INIZCTEOSA-N 2 0 362.478 0.157 10 0 FCAERP COC[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCOC1 ZINC000449820752 490430805 /nfs/dbraw/zinc/43/08/05/490430805.db2.gz WWGBLARSOCXINN-LJQANCHMSA-N 2 0 362.474 0.763 10 0 FCAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000422832278 490483357 /nfs/dbraw/zinc/48/33/57/490483357.db2.gz FMMKIAKPYRBJAD-MJGOQNOKSA-N 2 0 366.550 0.970 10 0 FCAERP c1cc(N2CCN(CCC[NH2+][C@H](C3CC3)[C@H]3CNCCO3)CC2)cc[nH+]1 ZINC000422843103 490485552 /nfs/dbraw/zinc/48/55/52/490485552.db2.gz HASBATVCYQAAGC-WOJBJXKFSA-N 2 0 359.518 0.950 10 0 FCAERP COC[C@](C)(CNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000571819341 491331080 /nfs/dbraw/zinc/33/10/80/491331080.db2.gz WUGDVBJMZBWYPE-MDZRGWNJSA-N 2 0 368.522 0.308 10 0 FCAERP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422983619 490511963 /nfs/dbraw/zinc/51/19/63/490511963.db2.gz UIXITHDWBGZUTR-UHFFFAOYSA-N 2 0 374.485 0.598 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423057936 490532085 /nfs/dbraw/zinc/53/20/85/490532085.db2.gz IODIQPWOZVHJMM-FHWLQOOXSA-N 2 0 370.497 0.930 10 0 FCAERP C[C@@H]1C[NH+](CCCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C[C@@H](C)O1 ZINC000571926596 491338125 /nfs/dbraw/zinc/33/81/25/491338125.db2.gz WWUPFVNZULYSPF-OAGGEKHMSA-N 2 0 364.494 0.822 10 0 FCAERP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCOC3C[NH2+]C3)cc2)C1 ZINC000571996329 491341574 /nfs/dbraw/zinc/34/15/74/491341574.db2.gz IPQOPLIUUMJYFJ-OAHLLOKOSA-N 2 0 360.458 0.701 10 0 FCAERP Cc1cn2cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc2n1 ZINC000527124274 490701380 /nfs/dbraw/zinc/70/13/80/490701380.db2.gz RXDGGCZUSBUOMT-UHFFFAOYSA-N 2 0 360.462 0.533 10 0 FCAERP Cn1cc(OCC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000503494291 490759479 /nfs/dbraw/zinc/75/94/79/490759479.db2.gz QKJZVLOREDAWAC-UHFFFAOYSA-N 2 0 358.446 0.522 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)Cc1ccccc1 ZINC000515144796 490809861 /nfs/dbraw/zinc/80/98/61/490809861.db2.gz JDGCXWOCEOLTLG-RXVVDRJESA-N 2 0 372.513 0.878 10 0 FCAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000565187147 491358571 /nfs/dbraw/zinc/35/85/71/491358571.db2.gz DJCZMHXLTCXQED-IXDOHACOSA-N 2 0 352.523 0.927 10 0 FCAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529312923 490850471 /nfs/dbraw/zinc/85/04/71/490850471.db2.gz JKOPPZQOYQJZRJ-HZPDHXFCSA-N 2 0 366.510 0.212 10 0 FCAERP [NH3+]CC1(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCOCC1 ZINC000529318602 490850750 /nfs/dbraw/zinc/85/07/50/490850750.db2.gz TZUYNZRAHIMMJH-HZPDHXFCSA-N 2 0 354.495 0.561 10 0 FCAERP [NH3+]C1(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCCCC1 ZINC000529330984 490853458 /nfs/dbraw/zinc/85/34/58/490853458.db2.gz UKQPTBOKKYNSNZ-UHFFFAOYSA-N 2 0 352.483 0.000 10 0 FCAERP CCn1ccnc1[C@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529329885 490853627 /nfs/dbraw/zinc/85/36/27/490853627.db2.gz JCLIHDUERKBFJQ-AWEZNQCLSA-N 2 0 363.466 0.316 10 0 FCAERP CC(C)[NH+]1CCN(CCCN2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000530223684 490893817 /nfs/dbraw/zinc/89/38/17/490893817.db2.gz ORBDPCMFLRTUOO-UHFFFAOYSA-N 2 0 366.554 0.045 10 0 FCAERP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000557288742 491365651 /nfs/dbraw/zinc/36/56/51/491365651.db2.gz QGHLWQCMJYUJGZ-ATLSCFEFSA-N 2 0 368.522 0.461 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000572402241 491367941 /nfs/dbraw/zinc/36/79/41/491367941.db2.gz BQNDTHWUZLHMAV-MRXNPFEDSA-N 3 0 362.474 0.377 10 0 FCAERP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000519716242 490986617 /nfs/dbraw/zinc/98/66/17/490986617.db2.gz SVGORFLIZVBORR-HOTGVXAUSA-N 2 0 363.510 0.206 10 0 FCAERP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)NC3CC[NH+](C4CC4)CC3)[C@@H]2C1 ZINC000519756351 490988085 /nfs/dbraw/zinc/98/80/85/490988085.db2.gz YESFYPGNKBCKFF-KFKAGJAMSA-N 2 0 362.518 0.966 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000562575561 491174291 /nfs/dbraw/zinc/17/42/91/491174291.db2.gz ALYLFTWESVKJIK-UHFFFAOYSA-N 2 0 350.463 0.976 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000569612537 491174868 /nfs/dbraw/zinc/17/48/68/491174868.db2.gz CDKKXWJYHHUAAE-ALOPSCKCSA-N 2 0 366.506 0.345 10 0 FCAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000562746686 491186257 /nfs/dbraw/zinc/18/62/57/491186257.db2.gz CFSQYWNFRNELNK-MRXNPFEDSA-N 2 0 360.506 0.935 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccnc2OCC(F)(F)F)CC1 ZINC000565534224 491382231 /nfs/dbraw/zinc/38/22/31/491382231.db2.gz BCTFIINHVVSVCW-AWEZNQCLSA-N 2 0 362.396 0.721 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000572649077 491384608 /nfs/dbraw/zinc/38/46/08/491384608.db2.gz ZUPLMSXVEBMRSB-PKOBYXMFSA-N 2 0 352.523 0.535 10 0 FCAERP CN1CC(=O)N(CC[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1=O ZINC000660276050 493338739 /nfs/dbraw/zinc/33/87/39/493338739.db2.gz LGDSNORCXSMLBS-UHFFFAOYSA-N 2 0 351.495 0.230 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cn1 ZINC000683248027 493340823 /nfs/dbraw/zinc/34/08/23/493340823.db2.gz TVWUTLIIADVKAT-OAHLLOKOSA-N 2 0 350.467 0.326 10 0 FCAERP O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000566062707 491415253 /nfs/dbraw/zinc/41/52/53/491415253.db2.gz GNJNTEMESIZGDN-KRWDZBQOSA-N 2 0 369.473 0.992 10 0 FCAERP C[NH+]1CCN(C[C@@H]([NH2+]C[C@H](O)CN2CCOCC2)c2ccccc2)CC1 ZINC000566107920 491417960 /nfs/dbraw/zinc/41/79/60/491417960.db2.gz RZMAUAONANNQJM-VQTJNVASSA-N 2 0 362.518 0.258 10 0 FCAERP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000573194344 491418520 /nfs/dbraw/zinc/41/85/20/491418520.db2.gz OIXJBIAJAZLGDT-BBWFWOEESA-N 2 0 368.522 0.545 10 0 FCAERP CC1CC[NH+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000559464252 491475307 /nfs/dbraw/zinc/47/53/07/491475307.db2.gz AKDUXXMJLXBOQI-QGZVFWFLSA-N 2 0 350.507 0.920 10 0 FCAERP Cn1ccnc1CN1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1=O ZINC000574216516 491481994 /nfs/dbraw/zinc/48/19/94/491481994.db2.gz ITVQRYZZGBKRDS-HNNXBMFYSA-N 2 0 373.461 0.099 10 0 FCAERP CC[NH+](C)C[C@@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337086 491489751 /nfs/dbraw/zinc/48/97/51/491489751.db2.gz MUCWXSXWECTMDQ-UAFMIMERSA-N 3 0 370.582 0.540 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000668389268 493346104 /nfs/dbraw/zinc/34/61/04/493346104.db2.gz VLCMTTSWZYKSHY-CVEARBPZSA-N 2 0 368.522 0.448 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000559905351 491509137 /nfs/dbraw/zinc/50/91/37/491509137.db2.gz VQLUVIHVQXNHSM-RHSMWYFYSA-N 2 0 350.507 0.918 10 0 FCAERP CC(C)[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[NH+](C)CC1 ZINC000560056575 491518163 /nfs/dbraw/zinc/51/81/63/491518163.db2.gz WPRQWMKIAYOHMN-NHAYFPRASA-N 2 0 366.550 0.907 10 0 FCAERP CN(C(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000574796725 491520559 /nfs/dbraw/zinc/52/05/59/491520559.db2.gz DPOWUHUOUVFUER-HZPDHXFCSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000567679992 491522719 /nfs/dbraw/zinc/52/27/19/491522719.db2.gz LZWVORTYHDVWSN-WOJBJXKFSA-N 2 0 362.518 0.258 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000560316559 491530950 /nfs/dbraw/zinc/53/09/50/491530950.db2.gz IYHJCQOAVPFGBF-QGZVFWFLSA-N 2 0 350.507 0.921 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000575319868 491548427 /nfs/dbraw/zinc/54/84/27/491548427.db2.gz FPDVYNVKJPLKSZ-CEXWTWQISA-N 3 0 366.550 0.781 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccccc1 ZINC000560655924 491549935 /nfs/dbraw/zinc/54/99/35/491549935.db2.gz SVUBRASMBMKBEH-SZMVWBNQSA-N 2 0 356.470 0.901 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccccc1 ZINC000560655923 491550169 /nfs/dbraw/zinc/55/01/69/491550169.db2.gz SVUBRASMBMKBEH-RYQLBKOJSA-N 2 0 356.470 0.901 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000568095286 491552862 /nfs/dbraw/zinc/55/28/62/491552862.db2.gz ZOYVHAWRGHABKM-INIZCTEOSA-N 2 0 368.522 0.450 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)N2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000568201453 491559010 /nfs/dbraw/zinc/55/90/10/491559010.db2.gz QLGIHODGIRQEDI-IAGOWNOFSA-N 2 0 350.507 0.731 10 0 FCAERP COc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1OC(F)F ZINC000575796860 491561051 /nfs/dbraw/zinc/56/10/51/491561051.db2.gz RFHBBZSUPOMQTE-CQSZACIVSA-N 2 0 359.417 0.995 10 0 FCAERP CN1CCC(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])([NH+]2CCCCC2)CC1 ZINC000561180860 491580959 /nfs/dbraw/zinc/58/09/59/491580959.db2.gz GXJRWLHUVWRICB-QGZVFWFLSA-N 2 0 366.554 0.221 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@]3(CCOC3)C2)C1 ZINC000576195989 491591697 /nfs/dbraw/zinc/59/16/97/491591697.db2.gz BYKRGRORWMOJIY-PKOBYXMFSA-N 2 0 353.507 0.962 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000577365013 491615334 /nfs/dbraw/zinc/61/53/34/491615334.db2.gz NOFORIYBPMJVRW-HUUCEWRRSA-N 2 0 353.898 0.512 10 0 FCAERP CN1CC[N@H+](CCCNC(=O)CCOC2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000576463827 491616765 /nfs/dbraw/zinc/61/67/65/491616765.db2.gz YLYDQNUDMQHLFB-LJQANCHMSA-N 2 0 360.502 0.860 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000569239541 491644858 /nfs/dbraw/zinc/64/48/58/491644858.db2.gz XYDGLNDVQKONNH-INIZCTEOSA-N 2 0 353.511 0.713 10 0 FCAERP CC1[C@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000668463472 493359051 /nfs/dbraw/zinc/35/90/51/493359051.db2.gz QULRTXBLYYSVLT-XSLAGTTESA-N 2 0 364.534 0.785 10 0 FCAERP C[NH+]1CCN(c2cccc(C(=O)N[C@H](CO)C[NH+]3CCCCC3)n2)CC1 ZINC000578119227 491670236 /nfs/dbraw/zinc/67/02/36/491670236.db2.gz ALOOVFYUHSZPLS-INIZCTEOSA-N 2 0 361.490 0.410 10 0 FCAERP CC(C)C[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)C(=O)NCC[NH+](C)C ZINC000578237184 491672974 /nfs/dbraw/zinc/67/29/74/491672974.db2.gz CKEQSARLZSDGEB-FVRSWCFKSA-N 2 0 367.494 0.189 10 0 FCAERP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCN(c2ncccn2)CC1 ZINC000578512376 491678930 /nfs/dbraw/zinc/67/89/30/491678930.db2.gz URCRXRRFQZZZEK-CALCHBBNSA-N 2 0 358.490 0.447 10 0 FCAERP COC[C@@H](C)OC[C@H](O)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000578523162 491678999 /nfs/dbraw/zinc/67/89/99/491678999.db2.gz OQFBCUOJKVNBPY-QZTJIDSGSA-N 2 0 357.539 0.939 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCSC1 ZINC000578972070 491687999 /nfs/dbraw/zinc/68/79/99/491687999.db2.gz HXNAZEMSHBMLOI-IRXDYDNUSA-N 2 0 354.520 0.142 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000579485813 491698929 /nfs/dbraw/zinc/69/89/29/491698929.db2.gz SSEMMCAJBLFLSX-MRXNPFEDSA-N 2 0 366.506 0.158 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccc2CN2CCCC2=O)CC1 ZINC000579827560 491706232 /nfs/dbraw/zinc/70/62/32/491706232.db2.gz 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C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656077166 492538237 /nfs/dbraw/zinc/53/82/37/492538237.db2.gz QWDAVQJZAVOEQT-INMHGKMJSA-N 2 0 366.506 0.155 10 0 FCAERP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649346824 492540877 /nfs/dbraw/zinc/54/08/77/492540877.db2.gz NNOIRLWNQXHCHP-UHFFFAOYSA-N 2 0 354.495 0.108 10 0 FCAERP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656084653 492545874 /nfs/dbraw/zinc/54/58/74/492545874.db2.gz ZTZJZBQKVHYHHR-OAGGEKHMSA-N 2 0 368.522 0.589 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656086094 492546749 /nfs/dbraw/zinc/54/67/49/492546749.db2.gz QKODSKILMXRUEO-JONQDZQNSA-N 2 0 354.495 0.153 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000649488266 492557515 /nfs/dbraw/zinc/55/75/15/492557515.db2.gz INICTAFQMXSFGQ-AWEZNQCLSA-N 2 0 357.401 0.749 10 0 FCAERP C[NH+](C)CCN1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1=O ZINC000649685001 492571083 /nfs/dbraw/zinc/57/10/83/492571083.db2.gz KLSLBJIVCFWBGR-FQEVSTJZSA-N 2 0 374.529 0.983 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@H]2C2(O)CC2)C1 ZINC000656692046 492642395 /nfs/dbraw/zinc/64/23/95/492642395.db2.gz YNZHVOLTTKXSBX-IRXDYDNUSA-N 2 0 353.507 0.839 10 0 FCAERP COc1cncc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000629552574 492644383 /nfs/dbraw/zinc/64/43/83/492644383.db2.gz MOYDPGPLTSDTMR-CQSZACIVSA-N 2 0 357.462 0.998 10 0 FCAERP NC(=O)[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000650802869 492668815 /nfs/dbraw/zinc/66/88/15/492668815.db2.gz YRUPXOCFBOAQHA-GASCZTMLSA-N 2 0 360.462 0.157 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629793177 492674346 /nfs/dbraw/zinc/67/43/46/492674346.db2.gz AONPTMFGDTZVSK-ZYSHUDEJSA-N 2 0 366.506 0.014 10 0 FCAERP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629798226 492677312 /nfs/dbraw/zinc/67/73/12/492677312.db2.gz VVSDZFZFUKLNKQ-KDURUIRLSA-N 2 0 366.506 0.014 10 0 FCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629799174 492677660 /nfs/dbraw/zinc/67/76/60/492677660.db2.gz OMQBUAGQHYTYJV-KDURUIRLSA-N 2 0 362.474 0.628 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCO1 ZINC000629805596 492681458 /nfs/dbraw/zinc/68/14/58/492681458.db2.gz AWKNBJFEKGRMLO-LZQZEXGQSA-N 2 0 366.506 0.014 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000629807178 492682099 /nfs/dbraw/zinc/68/20/99/492682099.db2.gz AVNHETSXCQEADZ-GOSISDBHSA-N 2 0 366.506 0.287 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000629809302 492682780 /nfs/dbraw/zinc/68/27/80/492682780.db2.gz PWQAQNVKMMSHKX-HOTGVXAUSA-N 2 0 366.506 0.299 10 0 FCAERP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000629817426 492686992 /nfs/dbraw/zinc/68/69/92/492686992.db2.gz NLHWSZRQZRLZNK-UHFFFAOYSA-N 2 0 366.506 0.158 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1=O ZINC000650995728 492692505 /nfs/dbraw/zinc/69/25/05/492692505.db2.gz NWRYVXJFTRJIEJ-IEBWSBKVSA-N 2 0 373.501 0.847 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000651193994 492719933 /nfs/dbraw/zinc/71/99/33/492719933.db2.gz PLJMZNWNGLXCBT-KRWDZBQOSA-N 2 0 367.538 0.912 10 0 FCAERP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000644562449 492786045 /nfs/dbraw/zinc/78/60/45/492786045.db2.gz RTYWOIWJKMWQFP-OAHLLOKOSA-N 2 0 365.474 0.771 10 0 FCAERP CN(C)c1cc(F)cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000651703726 492809281 /nfs/dbraw/zinc/80/92/81/492809281.db2.gz JPBGYSUEIDAGCX-UHFFFAOYSA-N 2 0 367.469 0.782 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631869579 492866614 /nfs/dbraw/zinc/86/66/14/492866614.db2.gz YZEURAVCYVPBOT-LBPRGKRZSA-N 2 0 362.521 0.885 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631869578 492866787 /nfs/dbraw/zinc/86/67/87/492866787.db2.gz YZEURAVCYVPBOT-GFCCVEGCSA-N 2 0 362.521 0.885 10 0 FCAERP C[NH+](C)CCOc1cccc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000631913722 492878867 /nfs/dbraw/zinc/87/88/67/492878867.db2.gz OBUFCMKYELJODU-MRXNPFEDSA-N 2 0 357.476 0.035 10 0 FCAERP C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631913983 492880523 /nfs/dbraw/zinc/88/05/23/492880523.db2.gz KZIGONVJOZQISX-OAHLLOKOSA-N 2 0 359.467 0.508 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000631923087 492886237 /nfs/dbraw/zinc/88/62/37/492886237.db2.gz MIDBXOQAOURJGZ-GOSISDBHSA-N 2 0 372.579 0.904 10 0 FCAERP CCO[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H]1C[NH3+] ZINC000652147318 492886823 /nfs/dbraw/zinc/88/68/23/492886823.db2.gz QKWIBZYXEBFHJW-HZPDHXFCSA-N 2 0 354.495 0.637 10 0 FCAERP CCO[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C[NH3+] ZINC000652148179 492887415 /nfs/dbraw/zinc/88/74/15/492887415.db2.gz QAXWDVUUKPDDJM-GDBMZVCRSA-N 2 0 356.511 0.881 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000645290764 492888620 /nfs/dbraw/zinc/88/86/20/492888620.db2.gz OMHXTLGZNCTXFR-HUUCEWRRSA-N 2 0 360.462 0.422 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000645290763 492888917 /nfs/dbraw/zinc/88/89/17/492888917.db2.gz OMHXTLGZNCTXFR-GJZGRUSLSA-N 2 0 360.462 0.422 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C[C@H]1C[NH3+] ZINC000652170336 492890568 /nfs/dbraw/zinc/89/05/68/492890568.db2.gz AZCYUHHTSVBMMJ-LAVFITLUSA-N 2 0 368.522 0.760 10 0 FCAERP C[C@@H](CNS(=O)(=O)C[C@H]1CN(C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000631939925 492893342 /nfs/dbraw/zinc/89/33/42/492893342.db2.gz LKGKHTSAUDDCBF-DOTOQJQBSA-N 2 0 355.504 0.757 10 0 FCAERP [NH3+]CC1(CCNC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000652231707 492897748 /nfs/dbraw/zinc/89/77/48/492897748.db2.gz CYNXIOHUWZDDMJ-HUUCEWRRSA-N 2 0 351.495 0.405 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000631964628 492899665 /nfs/dbraw/zinc/89/96/65/492899665.db2.gz ITFZUSMBENNWQC-SFHVURJKSA-N 2 0 368.547 0.503 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000658460589 492903472 /nfs/dbraw/zinc/90/34/72/492903472.db2.gz NZLMRNQQIZCGRN-SJORKVTESA-N 2 0 368.522 0.498 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000652678007 492986843 /nfs/dbraw/zinc/98/68/43/492986843.db2.gz OZZQVJCPWRCCIT-GOSISDBHSA-N 2 0 372.513 0.912 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000652683171 492989892 /nfs/dbraw/zinc/98/98/92/492989892.db2.gz GGKQVRDPOIJNKT-UHFFFAOYSA-N 2 0 362.474 0.251 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000652692246 492992086 /nfs/dbraw/zinc/99/20/86/492992086.db2.gz NPUXCTLBCITWRK-BZUAXINKSA-N 2 0 354.495 0.189 10 0 FCAERP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652713738 492998730 /nfs/dbraw/zinc/99/87/30/492998730.db2.gz WLKLOIGDYWIWOW-UHFFFAOYSA-N 2 0 354.495 0.191 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000652729764 493007374 /nfs/dbraw/zinc/00/73/74/493007374.db2.gz ULNTYIYOBNOVSD-IXDOHACOSA-N 2 0 366.506 0.286 10 0 FCAERP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000626803007 493021402 /nfs/dbraw/zinc/02/14/02/493021402.db2.gz GXGMKNIXRVVCAY-INIZCTEOSA-N 2 0 358.442 0.708 10 0 FCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626816855 493025771 /nfs/dbraw/zinc/02/57/71/493025771.db2.gz SBXMSAPKDLJQFJ-CQSZACIVSA-N 2 0 360.458 0.907 10 0 FCAERP CN(C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000626818933 493025935 /nfs/dbraw/zinc/02/59/35/493025935.db2.gz PIQXQQIXJGXNPP-INIZCTEOSA-N 2 0 358.442 0.802 10 0 FCAERP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C1=CC[N@H+](C)CC1 ZINC000626820256 493027155 /nfs/dbraw/zinc/02/71/55/493027155.db2.gz YDBOVXGQWWVTPF-ZDUSSCGKSA-N 2 0 358.442 0.874 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCOCC1 ZINC000626858785 493039496 /nfs/dbraw/zinc/03/94/96/493039496.db2.gz FLKMMLNVCDFRJX-UHFFFAOYSA-N 2 0 374.485 0.888 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000626882095 493048965 /nfs/dbraw/zinc/04/89/65/493048965.db2.gz CSBCGOGHPDTGOV-UHFFFAOYSA-N 2 0 364.446 0.190 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C[NH2+]1 ZINC000626894072 493053823 /nfs/dbraw/zinc/05/38/23/493053823.db2.gz VPBOUZQBVYEHAC-OCCSQVGLSA-N 2 0 366.437 0.961 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C[NH2+]1 ZINC000626894071 493054107 /nfs/dbraw/zinc/05/41/07/493054107.db2.gz VPBOUZQBVYEHAC-JSGCOSHPSA-N 2 0 366.437 0.961 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000658801208 493058850 /nfs/dbraw/zinc/05/88/50/493058850.db2.gz GJGUZSRRSCSTQZ-SJORKVTESA-N 2 0 350.507 0.729 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1)[C@H]1CC[N@H+](C)C1 ZINC000658802449 493060445 /nfs/dbraw/zinc/06/04/45/493060445.db2.gz NPPQHEMOVMZOEQ-IRXDYDNUSA-N 2 0 368.522 0.498 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)[C@H]1CC[N@H+](C)C1 ZINC000658802447 493060570 /nfs/dbraw/zinc/06/05/70/493060570.db2.gz NPPQHEMOVMZOEQ-DLBZAZTESA-N 2 0 368.522 0.498 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626964362 493071159 /nfs/dbraw/zinc/07/11/59/493071159.db2.gz QIEALIGQJNBNCM-HUUCEWRRSA-N 2 0 351.495 0.513 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000627012322 493080280 /nfs/dbraw/zinc/08/02/80/493080280.db2.gz XXGDFDWQTQBPMW-GOSISDBHSA-N 2 0 364.490 0.631 10 0 FCAERP [NH3+]C1(CNC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CCOCC1 ZINC000627148271 493096050 /nfs/dbraw/zinc/09/60/50/493096050.db2.gz UHUXDSNLUQQPJE-QGZVFWFLSA-N 2 0 362.474 0.560 10 0 FCAERP C[NH2+]CCOCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000627173819 493101161 /nfs/dbraw/zinc/10/11/61/493101161.db2.gz GKAOYXNVBFSVCE-ZWKOTPCHSA-N 2 0 364.490 0.405 10 0 FCAERP CN1CCOC[C@@H]1CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000627183600 493103162 /nfs/dbraw/zinc/10/31/62/493103162.db2.gz VKBKWTFVCNRULO-BBWFWOEESA-N 2 0 350.438 0.983 10 0 FCAERP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627212755 493107646 /nfs/dbraw/zinc/10/76/46/493107646.db2.gz BLCSCUVCMPUFAS-IRXDYDNUSA-N 2 0 355.527 0.552 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658904050 493108064 /nfs/dbraw/zinc/10/80/64/493108064.db2.gz QLKKULCKXIIIOU-JKSUJKDBSA-N 2 0 366.506 0.033 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C[C@H]1C[NH3+] ZINC000633093101 493122684 /nfs/dbraw/zinc/12/26/84/493122684.db2.gz DYFCEFOAYCKIHK-ZIAGYGMSSA-N 2 0 352.504 0.692 10 0 FCAERP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633094663 493122804 /nfs/dbraw/zinc/12/28/04/493122804.db2.gz LLWFVBNCONPNEJ-HZPDHXFCSA-N 2 0 366.506 0.428 10 0 FCAERP C[C@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000633106118 493128952 /nfs/dbraw/zinc/12/89/52/493128952.db2.gz HIWZOHPKXOTPKA-JKSUJKDBSA-N 2 0 350.507 0.907 10 0 FCAERP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633109289 493130647 /nfs/dbraw/zinc/13/06/47/493130647.db2.gz DWOOQXQHSLDCDP-MRXNPFEDSA-N 2 0 355.527 0.058 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N2CCC(CC)([NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000633120422 493133777 /nfs/dbraw/zinc/13/37/77/493133777.db2.gz ZSOXPTARJBYDJN-HUUCEWRRSA-N 2 0 354.495 0.141 10 0 FCAERP C[NH+](C)CC1(CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCCC1 ZINC000627287622 493133959 /nfs/dbraw/zinc/13/39/59/493133959.db2.gz ASCWPSHTZFWJDN-HDICACEKSA-N 2 0 350.507 0.683 10 0 FCAERP C[C@]1(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000627286983 493134091 /nfs/dbraw/zinc/13/40/91/493134091.db2.gz GBCRDEICJSRAFL-YLJYHZDGSA-N 2 0 374.485 0.262 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+]2CCCC2)c1 ZINC000627293588 493137740 /nfs/dbraw/zinc/13/77/40/493137740.db2.gz XLQDDCAQHPZPME-QGTPRVQTSA-N 2 0 374.485 0.815 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297405 493140471 /nfs/dbraw/zinc/14/04/71/493140471.db2.gz JEXLOQFFTCSPLS-CABCVRRESA-N 2 0 354.495 0.108 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Cc1ccccc1 ZINC000627303108 493142137 /nfs/dbraw/zinc/14/21/37/493142137.db2.gz HUACGPMPSNRDBV-BGYRXZFFSA-N 2 0 358.486 0.693 10 0 FCAERP C[C@H]1CCC[C@@](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)([NH+](C)C)C1 ZINC000627301963 493142156 /nfs/dbraw/zinc/14/21/56/493142156.db2.gz UHZIVXWPOYCSGW-KBXCAEBGSA-N 2 0 354.495 0.237 10 0 FCAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)NC[C@@H]1COCC[NH2+]1 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CCN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CC[N@H+](CC)C1 ZINC000668526656 493371149 /nfs/dbraw/zinc/37/11/49/493371149.db2.gz LRVPOSKUMACLDX-WMLDXEAASA-N 2 0 356.536 0.483 10 0 FCAERP CC[N@@H+]1CCCN(CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)[C@H](C)C1 ZINC000660797668 493380555 /nfs/dbraw/zinc/38/05/55/493380555.db2.gz ZZWGBTMAVDURSQ-QZTJIDSGSA-N 2 0 354.539 0.876 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000660865728 493388977 /nfs/dbraw/zinc/38/89/77/493388977.db2.gz UFGDQXNPERDNJS-IRXDYDNUSA-N 2 0 367.538 0.565 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](CCCOC)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000668789546 493411345 /nfs/dbraw/zinc/41/13/45/493411345.db2.gz YNAHSYGSPMJZPG-QGZVFWFLSA-N 2 0 368.522 0.546 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCO1 ZINC000668826514 493416475 /nfs/dbraw/zinc/41/64/75/493416475.db2.gz DSXKLTLNKSKNDO-IAGOWNOFSA-N 2 0 366.506 0.156 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000669038307 493456457 /nfs/dbraw/zinc/45/64/57/493456457.db2.gz IERYBPMPUHLTBJ-RDJZCZTQSA-N 2 0 366.506 0.156 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000669038308 493456734 /nfs/dbraw/zinc/45/67/34/493456734.db2.gz IERYBPMPUHLTBJ-WBVHZDCISA-N 2 0 366.506 0.156 10 0 FCAERP CC1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](C)C2)[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000669178628 493473375 /nfs/dbraw/zinc/47/33/75/493473375.db2.gz HLQMMFMOQKKZRX-BDXSIMOUSA-N 2 0 364.534 0.974 10 0 FCAERP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CCCO1 ZINC000669253279 493484122 /nfs/dbraw/zinc/48/41/22/493484122.db2.gz XQIQARZNJPKVSP-CVEARBPZSA-N 2 0 368.522 0.593 10 0 FCAERP C[C@H]([NH3+])[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CCO1 ZINC000669502153 493508088 /nfs/dbraw/zinc/50/80/88/493508088.db2.gz IIJFIRAWCTUWJK-DLBZAZTESA-N 2 0 367.538 0.694 10 0 FCAERP CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000669569649 493511676 /nfs/dbraw/zinc/51/16/76/493511676.db2.gz DPJGQIRBDQPQNO-HZPDHXFCSA-N 2 0 363.437 0.211 10 0 FCAERP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C2([NH3+])CC3(CCC3)C2)c1 ZINC000662403751 493513214 /nfs/dbraw/zinc/51/32/14/493513214.db2.gz YIXVAMIPHBULHL-UHFFFAOYSA-N 2 0 352.460 0.524 10 0 FCAERP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662437613 493515260 /nfs/dbraw/zinc/51/52/60/493515260.db2.gz GEQBJYRLZZOHBG-CQSZACIVSA-N 2 0 363.462 0.459 10 0 FCAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676089877 493522737 /nfs/dbraw/zinc/52/27/37/493522737.db2.gz OHDJWIUDHCSHKN-CYBMUJFWSA-N 2 0 354.414 0.806 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000676091415 493523245 /nfs/dbraw/zinc/52/32/45/493523245.db2.gz KMNSBJPXGINKME-INIZCTEOSA-N 2 0 362.478 0.470 10 0 FCAERP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000676096416 493524203 /nfs/dbraw/zinc/52/42/03/493524203.db2.gz XWKUBWQVZDXIPS-CYBMUJFWSA-N 2 0 358.402 0.043 10 0 FCAERP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[N@@H+]1C1CC1 ZINC000676099192 493525163 /nfs/dbraw/zinc/52/51/63/493525163.db2.gz LKVCYXBPPUCAOL-QWHCGFSZSA-N 2 0 354.414 0.947 10 0 FCAERP C[C@@H]1C[N@@H+](CCCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000662670460 493531217 /nfs/dbraw/zinc/53/12/17/493531217.db2.gz FSFAPYDNLSLTFO-XHSDSOJGSA-N 2 0 364.494 0.822 10 0 FCAERP C[C@@H]1C[NH+](CCCCNC(=O)c2cnnn2C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000662690284 493531842 /nfs/dbraw/zinc/53/18/42/493531842.db2.gz ZIIRHSLHHXSYGE-HUUCEWRRSA-N 2 0 364.494 0.822 10 0 FCAERP C[NH+]1CCN(c2cc(CNC(=O)c3cc(C(C)(C)[NH3+])no3)ccn2)CC1 ZINC000662759711 493540212 /nfs/dbraw/zinc/54/02/12/493540212.db2.gz YJVYRBYAIQKRHZ-UHFFFAOYSA-N 2 0 358.446 0.945 10 0 FCAERP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000662860906 493547812 /nfs/dbraw/zinc/54/78/12/493547812.db2.gz VIDHCRJORUZADW-IAGOWNOFSA-N 2 0 369.469 0.983 10 0 FCAERP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1=O ZINC000662885739 493549786 /nfs/dbraw/zinc/54/97/86/493549786.db2.gz VWNGKBVPTSMVIC-WBVHZDCISA-N 2 0 360.458 0.696 10 0 FCAERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662925294 493554461 /nfs/dbraw/zinc/55/44/61/493554461.db2.gz GZHILLKJTLNCEF-HZPDHXFCSA-N 2 0 368.428 0.614 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000662939142 493556943 /nfs/dbraw/zinc/55/69/43/493556943.db2.gz CIBJFQKVSNUUQO-LJQANCHMSA-N 2 0 358.486 0.980 10 0 FCAERP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016652 493566772 /nfs/dbraw/zinc/56/67/72/493566772.db2.gz HKMDKXYEPFYPAE-TWOQFEAHSA-N 2 0 372.517 0.915 10 0 FCAERP CC1=CC[N@H+](CCNC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000670805292 493598434 /nfs/dbraw/zinc/59/84/34/493598434.db2.gz FSBFGDGOTUSQOZ-UHFFFAOYSA-N 2 0 350.507 0.991 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663655048 493610013 /nfs/dbraw/zinc/61/00/13/493610013.db2.gz QUMUPSHQWRFXAA-KRWDZBQOSA-N 2 0 354.495 0.339 10 0 FCAERP CCN(C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)[C@H]1CC[N@H+](C)C1 ZINC000663914905 493625129 /nfs/dbraw/zinc/62/51/29/493625129.db2.gz BONIKSLPBDIUIU-HOTGVXAUSA-N 2 0 353.511 0.665 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000664006908 493630154 /nfs/dbraw/zinc/63/01/54/493630154.db2.gz LVSVCWRGQMSAFJ-UHFFFAOYSA-N 2 0 369.554 0.814 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000664175233 493642122 /nfs/dbraw/zinc/64/21/22/493642122.db2.gz YOKOVFVJMYXXJZ-KRWDZBQOSA-N 2 0 369.554 0.670 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671343512 493657689 /nfs/dbraw/zinc/65/76/89/493657689.db2.gz NOMJWYAXROKZOV-OALUTQOASA-N 2 0 372.513 0.876 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000678749035 493658680 /nfs/dbraw/zinc/65/86/80/493658680.db2.gz KNLJTEBECPMLJK-AWEZNQCLSA-N 2 0 362.478 0.689 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)NCC2(N3CCOCC3)CC2)CCO1 ZINC000664758377 493681831 /nfs/dbraw/zinc/68/18/31/493681831.db2.gz DEKWEAFSNOHRIV-INIZCTEOSA-N 2 0 354.495 0.603 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000664814461 493684705 /nfs/dbraw/zinc/68/47/05/493684705.db2.gz DTENTDQDCHPERV-KRWDZBQOSA-N 3 0 370.586 0.584 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C[C@H]2CCC(=O)N2)C(C)C)C1 ZINC000412083279 528012397 /nfs/dbraw/zinc/01/23/97/528012397.db2.gz PSMQXIOYWISNLM-SJORKVTESA-N 2 0 368.522 0.448 10 0 FCAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413887778 528230195 /nfs/dbraw/zinc/23/01/95/528230195.db2.gz WZCYVHWSNSKOOF-KRWDZBQOSA-N 2 0 352.523 0.774 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000418859904 535445047 /nfs/dbraw/zinc/44/50/47/535445047.db2.gz CCTIKFXYMHMETE-YESZJQIVSA-N 2 0 350.507 0.810 10 0 FCAERP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000415256473 535482900 /nfs/dbraw/zinc/48/29/00/535482900.db2.gz OVDZGGSMAJZURP-MRXNPFEDSA-N 2 0 362.474 0.698 10 0 FCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000423360387 535866018 /nfs/dbraw/zinc/86/60/18/535866018.db2.gz FJTVTOATCLIBHN-LJQANCHMSA-N 2 0 362.474 0.772 10 0 FCAERP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CCCC[N@@H+]3CCO)ccn2)CC1 ZINC000452803245 536419032 /nfs/dbraw/zinc/41/90/32/536419032.db2.gz XCGYJZUTFIFWMB-QGZVFWFLSA-N 2 0 361.490 0.410 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C(N)=O)CC[C@H]2C)C1 ZINC000363475468 546528591 /nfs/dbraw/zinc/52/85/91/546528591.db2.gz AQCKIQUXPOUFTP-BZUAXINKSA-N 2 0 354.495 0.045 10 0 FCAERP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000127587764 546562010 /nfs/dbraw/zinc/56/20/10/546562010.db2.gz ZEPVVWIGLFIECZ-HNNXBMFYSA-N 2 0 350.467 0.326 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000594738179 546818423 /nfs/dbraw/zinc/81/84/23/546818423.db2.gz IZYWSHMIQRPBEP-MSOLQXFVSA-N 2 0 354.539 0.922 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000551024796 547121377 /nfs/dbraw/zinc/12/13/77/547121377.db2.gz XOCORFHKCUMYOU-HZPDHXFCSA-N 2 0 354.495 0.062 10 0 FCAERP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000551712853 547160253 /nfs/dbraw/zinc/16/02/53/547160253.db2.gz MDUIHHCAFACHAT-DOTOQJQBSA-N 2 0 369.531 0.739 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](CCOC)C2)[C@@H](C)C1 ZINC000553735700 547304329 /nfs/dbraw/zinc/30/43/29/547304329.db2.gz ZQLLAQKSPDZNDO-JYJNAYRXSA-N 2 0 354.495 0.012 10 0 FCAERP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898990476 665921391 /nfs/dbraw/zinc/92/13/91/665921391.db2.gz IHEOXFJIJQGATB-SJORKVTESA-N 2 0 351.491 0.809 10 0 FCAERP CC(C)[N@@H+]1CC[C@@H](C(=O)NCC[NH+](C)CCO)[C@@H](c2cnn(C)c2)C1 ZINC000899741905 665960772 /nfs/dbraw/zinc/96/07/72/665960772.db2.gz VXPGMELJFAOMML-IAGOWNOFSA-N 2 0 351.495 0.274 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000926334877 663467651 /nfs/dbraw/zinc/46/76/51/663467651.db2.gz VNSPIUMCIDTRLA-JKSUJKDBSA-N 2 0 356.511 0.247 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927641601 664888690 /nfs/dbraw/zinc/88/86/90/664888690.db2.gz KJXWLORKOWIDQR-QGZVFWFLSA-N 3 0 355.527 0.375 10 0 FCAERP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896044194 665068546 /nfs/dbraw/zinc/06/85/46/665068546.db2.gz WIWBIRKJGWUNBO-OAHLLOKOSA-N 2 0 355.479 0.439 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925166254 665176489 /nfs/dbraw/zinc/17/64/89/665176489.db2.gz ZXWXEEYPFKIQIA-JYJNAYRXSA-N 2 0 356.536 0.712 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925173308 665178181 /nfs/dbraw/zinc/17/81/81/665178181.db2.gz XGYQSDMTMLCVRK-KFWWJZLASA-N 2 0 369.535 0.328 10 0 FCAERP COC(=O)C[C@@H]1CN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C[C@H]1C ZINC000905709728 666035654 /nfs/dbraw/zinc/03/56/54/666035654.db2.gz AMSPWAZGQHOZTI-CHWSQXEVSA-N 2 0 352.435 0.091 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C[NH+](C)C ZINC000929780870 666680457 /nfs/dbraw/zinc/68/04/57/666680457.db2.gz HRFCYWYLZWUVMK-JKSUJKDBSA-N 2 0 356.511 0.306 10 0 FCAERP CN1CCN(C(=O)CC2CCN(C(=S)NCC[NH+](C)C)CC2)CC1 ZINC000731317397 666815866 /nfs/dbraw/zinc/81/58/66/666815866.db2.gz MTCQIADEVPJFHA-UHFFFAOYSA-N 2 0 355.552 0.299 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000924025816 667221864 /nfs/dbraw/zinc/22/18/64/667221864.db2.gz QRYQMWPQZGDHSX-ZACQAIPSSA-N 2 0 353.511 0.175 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1)C[NH+](C)C ZINC000929294103 667640091 /nfs/dbraw/zinc/64/00/91/667640091.db2.gz TVVABEDVKHJELS-MRXNPFEDSA-N 2 0 356.511 0.306 10 0 FCAERP C[C@@H]1CC[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C[C@H]1C[NH3+] ZINC000923375476 667829070 /nfs/dbraw/zinc/82/90/70/667829070.db2.gz MSLSWLKKOPTRFK-RBSFLKMASA-N 2 0 361.552 0.905 10 0 FCAERP O[C@@H](COC1CCOCC1)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923430740 667834925 /nfs/dbraw/zinc/83/49/25/667834925.db2.gz JWNABFFSSZQBQA-FGTMMUONSA-N 2 0 353.507 0.444 10 0 FCAERP COC(=O)CCN1CCC[C@@H]([NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1=O ZINC000923449592 667837154 /nfs/dbraw/zinc/83/71/54/667837154.db2.gz ANTAAEIWFQIGGD-HUUCEWRRSA-N 2 0 353.463 0.370 10 0 FCAERP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923454467 667837802 /nfs/dbraw/zinc/83/78/02/667837802.db2.gz PSNXTPNWBRIHCQ-MNOVXSKESA-N 2 0 366.384 0.593 10 0 FCAERP C[C@@H]1C[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[C@@H]1C[NH3+] ZINC000923492868 667841182 /nfs/dbraw/zinc/84/11/82/667841182.db2.gz QMNLREBLSKDHJB-RBSFLKMASA-N 2 0 361.552 0.905 10 0 FCAERP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)S(C)(=O)=O ZINC000923498903 667841542 /nfs/dbraw/zinc/84/15/42/667841542.db2.gz QRKKSHGTQBBOIA-LSDHHAIUSA-N 2 0 362.540 0.079 10 0 FCAERP O=S(=O)(C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1)N1CCCCC1 ZINC000923548846 667847509 /nfs/dbraw/zinc/84/75/09/667847509.db2.gz AXQIJFYGHZPAFD-OAHLLOKOSA-N 2 0 357.520 0.788 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000819007976 668970569 /nfs/dbraw/zinc/97/05/69/668970569.db2.gz RTKKKSFGJCDERU-INIZCTEOSA-N 2 0 356.511 0.584 10 0 FCAERP C[C@@H](C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000819058403 668975322 /nfs/dbraw/zinc/97/53/22/668975322.db2.gz KQWWWSGUNYQWBD-HOTGVXAUSA-N 2 0 358.527 0.687 10 0 FCAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(Cl)n1 ZINC000832526652 669907226 /nfs/dbraw/zinc/90/72/26/669907226.db2.gz XJBZMOOQPLRYPO-OCCSQVGLSA-N 2 0 367.881 0.747 10 0 FCAERP C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867277939 670614884 /nfs/dbraw/zinc/61/48/84/670614884.db2.gz IPXSAFYQIOPWIO-YYIAUSFCSA-N 2 0 352.523 0.689 10 0 FCAERP CC(C)Oc1ccc([C@@H](O)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000843079025 670773684 /nfs/dbraw/zinc/77/36/84/670773684.db2.gz AZYXBAOJWXXNRJ-HKUYNNGSSA-N 2 0 351.491 0.705 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000846732078 671143366 /nfs/dbraw/zinc/14/33/66/671143366.db2.gz ATAPVVZOZZKJAH-HOTGVXAUSA-N 2 0 354.495 0.060 10 0 FCAERP C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1cccc(OCC[NH+](C)C)c1 ZINC000903282087 675924200 /nfs/dbraw/zinc/92/42/00/675924200.db2.gz SLPZYWBLEMZZSI-LPHOPBHVSA-N 2 0 351.491 0.971 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)C(=O)NCc1cccs1)C2 ZINC000903492063 675933288 /nfs/dbraw/zinc/93/32/88/675933288.db2.gz IXNREXHLSYNSKB-ZHRONYKTSA-N 2 0 351.472 0.965 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000903493546 675933427 /nfs/dbraw/zinc/93/34/27/675933427.db2.gz UUDBRRKLJOSREQ-SCTDSRPQSA-N 3 0 352.523 0.615 10 0 FCAERP C[Si](C)(CC[NH+]1C[C@@H]2COC(=O)[C@@H]2C1)CC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167917 671873598 /nfs/dbraw/zinc/87/35/98/671873598.db2.gz PDFLUINMDGZHTA-KLHDSHLOSA-N 2 0 366.534 0.904 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861672253 671979216 /nfs/dbraw/zinc/97/92/16/671979216.db2.gz RGPZEWFSRRGURM-YJNKXOJESA-N 2 0 351.451 0.094 10 0 FCAERP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903757284 675968679 /nfs/dbraw/zinc/96/86/79/675968679.db2.gz XDKICJVMJOLPTO-HNNXBMFYSA-N 2 0 354.495 0.141 10 0 FCAERP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000861766203 671993343 /nfs/dbraw/zinc/99/33/43/671993343.db2.gz CRSICBKRVJLXHP-PKSQDBQZSA-N 2 0 364.412 0.714 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C[C@H]1C(F)(F)F ZINC000903747809 675967238 /nfs/dbraw/zinc/96/72/38/675967238.db2.gz SSEFBWGRPKPJQH-YNEHKIRRSA-N 2 0 362.396 0.279 10 0 FCAERP C[NH+](C)CC1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903776945 675972343 /nfs/dbraw/zinc/97/23/43/675972343.db2.gz XBTQOCCAKSRCMD-VXGBXAGGSA-N 2 0 350.385 0.135 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC[C@@H]1C(F)(F)F ZINC000903787301 675973223 /nfs/dbraw/zinc/97/32/23/675973223.db2.gz MVKLEFMPASYISU-FRRDWIJNSA-N 2 0 360.380 0.197 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC[C@H]1C(F)(F)F ZINC000903787302 675973268 /nfs/dbraw/zinc/97/32/68/675973268.db2.gz MVKLEFMPASYISU-JHJVBQTASA-N 2 0 360.380 0.197 10 0 FCAERP C[NH2+]CCN(C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C(C)C ZINC000903807870 675975245 /nfs/dbraw/zinc/97/52/45/675975245.db2.gz AESGCTAOPZFWTN-UHFFFAOYSA-N 2 0 354.495 0.014 10 0 FCAERP C[NH2+]CCN(C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)C(C)C ZINC000903812714 675975783 /nfs/dbraw/zinc/97/57/83/675975783.db2.gz JKZPHKDDHYTAQE-UHFFFAOYSA-N 2 0 356.511 0.402 10 0 FCAERP C[NH2+]CCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(C)C ZINC000903816548 675976072 /nfs/dbraw/zinc/97/60/72/675976072.db2.gz VTDNGURZHDSZJU-DOTOQJQBSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903763417 675969988 /nfs/dbraw/zinc/96/99/88/675969988.db2.gz RNCNRGFNRONOCU-CQSZACIVSA-N 2 0 352.504 0.834 10 0 FCAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cnn1C ZINC000903899480 675981296 /nfs/dbraw/zinc/98/12/96/675981296.db2.gz RYIXNXNHLBRHNO-CQSZACIVSA-N 2 0 357.524 0.202 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000864937455 672218222 /nfs/dbraw/zinc/21/82/22/672218222.db2.gz FWTWAULHPXDFMX-HNNXBMFYSA-N 2 0 354.495 0.996 10 0 FCAERP C[C@H]1CSCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867577928 672341081 /nfs/dbraw/zinc/34/10/81/672341081.db2.gz HLJPFXLECVBYMY-BZUAXINKSA-N 2 0 370.563 0.396 10 0 FCAERP C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCS1 ZINC000867577633 672341099 /nfs/dbraw/zinc/34/10/99/672341099.db2.gz BKGKFCYTYMVXID-ARFHVFGLSA-N 2 0 370.563 0.538 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867808762 672370310 /nfs/dbraw/zinc/37/03/10/672370310.db2.gz OOUOJXYIKXXYMM-HZPDHXFCSA-N 2 0 369.535 0.776 10 0 FCAERP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868358231 672395697 /nfs/dbraw/zinc/39/56/97/672395697.db2.gz FAUYYWAULQSBSV-KURKYZTESA-N 2 0 351.539 0.996 10 0 FCAERP CC[C@H]1CN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC[C@@H]1[NH3+] ZINC000868387449 672397653 /nfs/dbraw/zinc/39/76/53/672397653.db2.gz RSQRNXKCDYYTDA-HOTGVXAUSA-N 2 0 350.507 0.907 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)NC1CCN(CC(=O)OC(C)(C)C)CC1 ZINC000869026958 672419462 /nfs/dbraw/zinc/41/94/62/672419462.db2.gz XCAHAJRKEPSFPQ-UHFFFAOYSA-N 2 0 354.495 0.996 10 0 FCAERP COCCCn1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000870018290 672461780 /nfs/dbraw/zinc/46/17/80/672461780.db2.gz ZXXIKEMWOFLUFR-IAGOWNOFSA-N 2 0 351.495 0.731 10 0 FCAERP Cc1oc(S(C)(=O)=O)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018209 672461781 /nfs/dbraw/zinc/46/17/81/672461781.db2.gz WUMZXLFIOVGXMQ-ZIAGYGMSSA-N 2 0 371.503 0.803 10 0 FCAERP [NH3+]CC1(CC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCCC1 ZINC000870998536 672524928 /nfs/dbraw/zinc/52/49/28/672524928.db2.gz ZENQCKVZGNXEOW-KFWWJZLASA-N 2 0 350.463 0.679 10 0 FCAERP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872187114 672597249 /nfs/dbraw/zinc/59/72/49/672597249.db2.gz DBISXERXZDFONE-CHWSQXEVSA-N 2 0 364.412 0.525 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872188492 672597521 /nfs/dbraw/zinc/59/75/21/672597521.db2.gz WXGSALMONRCXNH-RWMBFGLXSA-N 2 0 364.412 0.382 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@H]1C(F)(F)F ZINC000872191603 672599961 /nfs/dbraw/zinc/59/99/61/672599961.db2.gz YTYFTCIACBOBHR-FRRDWIJNSA-N 2 0 362.396 0.279 10 0 FCAERP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872192106 672600268 /nfs/dbraw/zinc/60/02/68/672600268.db2.gz DVBAUCJINWEOAI-NEPJUHHUSA-N 2 0 364.412 0.525 10 0 FCAERP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872192108 672600311 /nfs/dbraw/zinc/60/03/11/672600311.db2.gz DVBAUCJINWEOAI-RYUDHWBXSA-N 2 0 364.412 0.525 10 0 FCAERP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872192638 672601141 /nfs/dbraw/zinc/60/11/41/672601141.db2.gz YLCPNRQKIZVWOF-VXGBXAGGSA-N 2 0 352.401 0.382 10 0 FCAERP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC000872193675 672601558 /nfs/dbraw/zinc/60/15/58/672601558.db2.gz BAYZEZPVWQAKRB-INIZCTEOSA-N 2 0 350.507 0.921 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CCC1(C)C ZINC000872196005 672603673 /nfs/dbraw/zinc/60/36/73/672603673.db2.gz OBTNOWMJTRZTBY-VXGBXAGGSA-N 2 0 364.412 0.525 10 0 FCAERP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872251171 672608089 /nfs/dbraw/zinc/60/80/89/672608089.db2.gz HDNNLUNCKASFOZ-JJXSEGSLSA-N 2 0 350.463 0.678 10 0 FCAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872255434 672608627 /nfs/dbraw/zinc/60/86/27/672608627.db2.gz WYVYHFQWQYJYHV-KFWWJZLASA-N 2 0 352.479 0.794 10 0 FCAERP CCOC(=O)C[C@@H](C)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875433808 672881591 /nfs/dbraw/zinc/88/15/91/672881591.db2.gz UBZPMOIFJYKNRH-BZUAXINKSA-N 2 0 356.511 0.957 10 0 FCAERP CO[C@@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCOC1 ZINC000875710633 672906407 /nfs/dbraw/zinc/90/64/07/672906407.db2.gz LSFCPUAFXXYLHZ-VQHPVUNQSA-N 2 0 356.511 0.419 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000128032904 673146695 /nfs/dbraw/zinc/14/66/95/673146695.db2.gz AYCHUPRGHIDSJE-UKRRQHHQSA-N 2 0 350.467 0.372 10 0 FCAERP CN1CCC(CN2C(=O)N[C@H](C[NH+](C)C)C2=O)([NH+]2CCCCC2)CC1 ZINC000925327654 673787365 /nfs/dbraw/zinc/78/73/65/673787365.db2.gz FJTPPAUHEICQME-OAHLLOKOSA-N 2 0 351.495 0.419 10 0 FCAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC000925804972 673804755 /nfs/dbraw/zinc/80/47/55/673804755.db2.gz ONZOGVNOFPODEZ-JQFCIGGWSA-N 2 0 355.504 0.920 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cn1 ZINC000926050969 673809909 /nfs/dbraw/zinc/80/99/09/673809909.db2.gz RIKXEVQQMKZFTI-OAHLLOKOSA-N 2 0 350.467 0.806 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC[C@@H]1C[NH3+] ZINC000926360466 673826781 /nfs/dbraw/zinc/82/67/81/673826781.db2.gz HTFGONMRLHTCJO-DJIMGWMZSA-N 2 0 350.507 0.620 10 0 FCAERP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926362929 673827039 /nfs/dbraw/zinc/82/70/39/673827039.db2.gz PMJMNGYSULTQMT-OAHLLOKOSA-N 2 0 354.495 0.141 10 0 FCAERP C[NH+]1CCC(C[NH2+][C@@H]2CCOC23CCOCC3)(N2CCOCC2)CC1 ZINC000926577714 673835435 /nfs/dbraw/zinc/83/54/35/673835435.db2.gz YVRIXUQSQZSQSK-QGZVFWFLSA-N 2 0 353.507 0.711 10 0 FCAERP CCO[C@H](CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C[NH+](C)C ZINC000926831873 673844162 /nfs/dbraw/zinc/84/41/62/673844162.db2.gz GOYRUFAZHLAHKY-QGZVFWFLSA-N 2 0 357.543 0.621 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)C[NH+](C)C ZINC000929153811 673940393 /nfs/dbraw/zinc/94/03/93/673940393.db2.gz ARULRAZGBKCRAV-OAHLLOKOSA-N 2 0 356.511 0.450 10 0 FCAERP CC(C)[NH+]1CCN(CC(=O)NC[C@H](C)N2CC[NH+](C(C)C)CC2)CC1 ZINC000929202364 673943494 /nfs/dbraw/zinc/94/34/94/673943494.db2.gz HLJJFDNHQPZOHV-SFHVURJKSA-N 2 0 353.555 0.543 10 0 FCAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000929697185 673972469 /nfs/dbraw/zinc/97/24/69/673972469.db2.gz VJQRVQLQEXPCGC-OAFZBRQQSA-N 2 0 350.507 0.633 10 0 FCAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000929745362 673974618 /nfs/dbraw/zinc/97/46/18/673974618.db2.gz OIOZKSFOLDYZLH-YUELXQCFSA-N 2 0 352.504 0.035 10 0 FCAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000929793476 673977704 /nfs/dbraw/zinc/97/77/04/673977704.db2.gz SPFCFVOSALQJDR-INIZCTEOSA-N 2 0 350.507 0.920 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000929948420 673987109 /nfs/dbraw/zinc/98/71/09/673987109.db2.gz QBLZXNVNHIJHRY-HNNXBMFYSA-N 2 0 354.495 0.062 10 0 FCAERP CN(C(=O)C[C@@]1(O)CCC[NH+](C)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900670705 675706023 /nfs/dbraw/zinc/70/60/23/675706023.db2.gz UAEUNAOOCPIKLS-HKUYNNGSSA-N 2 0 352.523 0.460 10 0 FCAERP CC(C)N1CC[NH+](C2CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)CC1 ZINC000901238416 675774764 /nfs/dbraw/zinc/77/47/64/675774764.db2.gz 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/nfs/dbraw/zinc/95/10/96/1193951096.db2.gz DMAPWUBPULCNME-UHFFFAOYSA-N 3 0 369.554 0.175 10 0 FCAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000552937768 1193961573 /nfs/dbraw/zinc/96/15/73/1193961573.db2.gz OAORLCBIXJSAHA-IAGOWNOFSA-N 2 0 368.522 0.594 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000553274304 1193984079 /nfs/dbraw/zinc/98/40/79/1193984079.db2.gz SPVHHKCSWUFFIS-SJORKVTESA-N 2 0 366.506 0.300 10 0 FCAERP C[C@@H](C[NH2+]Cc1cc(=O)n2ccsc2n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483228089 1195514527 /nfs/dbraw/zinc/51/45/27/1195514527.db2.gz HUCQPVBSCZCWCK-OUCADQQQSA-N 2 0 363.487 0.691 10 0 FCAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CN2CCC([NH3+])CC2)nn1 ZINC000905818920 1195603890 /nfs/dbraw/zinc/60/38/90/1195603890.db2.gz IXTBEKYVIZSYCU-LJQANCHMSA-N 2 0 358.490 0.694 10 0 FCAERP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000907739859 1195707303 /nfs/dbraw/zinc/70/73/03/1195707303.db2.gz VWINDUNDIXWIIB-GGPKGHCWSA-N 2 0 361.486 0.849 10 0 FCAERP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)C[C@@]1(O)CCC[NH+](C)C1)C2 ZINC000908163858 1195725165 /nfs/dbraw/zinc/72/51/65/1195725165.db2.gz IDXYHMHYVLBBPT-IYHXRUFHSA-N 2 0 366.506 0.033 10 0 FCAERP CN1CC[N@H+](C)CC(C(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000908237252 1195734775 /nfs/dbraw/zinc/73/47/75/1195734775.db2.gz PCRNVSDOCYEIAE-UHFFFAOYSA-N 2 0 363.506 0.522 10 0 FCAERP C[N@@H+]1CCC[C@](O)(CC(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C1 ZINC000912385635 1196343970 /nfs/dbraw/zinc/34/39/70/1196343970.db2.gz JUYJNXZEUDDVGA-ICSRJNTNSA-N 2 0 361.486 0.716 10 0 FCAERP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000912714711 1196359818 /nfs/dbraw/zinc/35/98/18/1196359818.db2.gz DPPWKXOFPSPSTQ-NVXWUHKLSA-N 2 0 367.490 0.319 10 0 FCAERP CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000913438127 1196430845 /nfs/dbraw/zinc/43/08/45/1196430845.db2.gz VISHAEJBXSERNW-RTBURBONSA-N 3 0 367.582 0.600 10 0 FCAERP C[C@@H]1C[C@@H](C(=O)NC23CC[NH+](CC2)C3)[C@@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913633079 1197096043 /nfs/dbraw/zinc/09/60/43/1197096043.db2.gz LCBQOMRXABBSNR-PHZGNYQRSA-N 2 0 360.502 0.578 10 0 FCAERP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000913919197 1197161791 /nfs/dbraw/zinc/16/17/91/1197161791.db2.gz FNCNSLRVAKMTKR-QLFBSQMISA-N 2 0 368.522 0.325 10 0 FCAERP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000827754738 1197907262 /nfs/dbraw/zinc/90/72/62/1197907262.db2.gz CPZUOGXSVFWCPF-UHFFFAOYSA-N 2 0 362.518 0.923 10 0 FCAERP CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000819053616 1203148740 /nfs/dbraw/zinc/14/87/40/1203148740.db2.gz KAVJCYHCTRYRRI-WBVHZDCISA-N 2 0 370.538 0.972 10 0 FCAERP COC(=O)CC[C@@H]1CC[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)O1 ZINC000825146168 1203309089 /nfs/dbraw/zinc/30/90/89/1203309089.db2.gz AXKMYVIGUFDSBX-WCXIOVBPSA-N 2 0 369.506 0.685 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNc2ccc(OCC[NH3+])cc2)C1 ZINC000844222598 1204379788 /nfs/dbraw/zinc/37/97/88/1204379788.db2.gz IPRIGAVAADPTBS-GOSISDBHSA-N 2 0 364.490 0.909 10 0 FCAERP C[C@H](c1ccco1)N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867336475 1208382975 /nfs/dbraw/zinc/38/29/75/1208382975.db2.gz SNDXOBUSAPPDRJ-BZUAXINKSA-N 2 0 364.490 0.997 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]Cc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001273876548 1208444348 /nfs/dbraw/zinc/44/43/48/1208444348.db2.gz PNIXGPBOTWJGJK-YQVWRLOYSA-N 2 0 363.506 0.594 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C2CCC2)C[C@H]1C[NH+](C)C ZINC000867432077 1208480638 /nfs/dbraw/zinc/48/06/38/1208480638.db2.gz RRFIZNBZLATRHD-KZNAEPCWSA-N 2 0 364.534 0.975 10 0 FCAERP Cn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001488959981 1208574375 /nfs/dbraw/zinc/57/43/75/1208574375.db2.gz ZITAAPUVPYXPIC-LSDHHAIUSA-N 2 0 364.494 0.300 10 0 FCAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2nccs2)C1 ZINC001488948918 1208581925 /nfs/dbraw/zinc/58/19/25/1208581925.db2.gz PJWKQJVEAUFRLT-QWHCGFSZSA-N 2 0 353.492 0.908 10 0 FCAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCF)C1 ZINC001488981567 1208597332 /nfs/dbraw/zinc/59/73/32/1208597332.db2.gz KRMOFMYFZLLKOM-ARFHVFGLSA-N 2 0 357.449 0.954 10 0 FCAERP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001489047607 1208603585 /nfs/dbraw/zinc/60/35/85/1208603585.db2.gz BODHIEPRBYSCGA-ILXRZTDVSA-N 2 0 367.494 0.095 10 0 FCAERP CCN1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCn2cncn2)C1 ZINC001489056491 1208616345 /nfs/dbraw/zinc/61/63/45/1208616345.db2.gz SVTCRCMNTJVRCG-IKGGRYGDSA-N 2 0 364.494 0.216 10 0 FCAERP CCN1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(=O)N2CCC2)C1 ZINC001489056220 1208616500 /nfs/dbraw/zinc/61/65/00/1208616500.db2.gz MUCGZKDPQUHBIH-IXDOHACOSA-N 2 0 366.506 0.156 10 0 FCAERP 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CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1O)[NH+](C)C ZINC001489629008 1209061854 /nfs/dbraw/zinc/06/18/54/1209061854.db2.gz ZHZHDRUXXRBEIM-PMPSAXMXSA-N 2 0 368.522 0.279 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001489931755 1209165012 /nfs/dbraw/zinc/16/50/12/1209165012.db2.gz RUGWNXLHKMXNOY-BRWVUGGUSA-N 2 0 368.522 0.260 10 0 FCAERP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001489951634 1209177201 /nfs/dbraw/zinc/17/72/01/1209177201.db2.gz WWLZBWBDIIZYHV-SJORKVTESA-N 2 0 368.522 0.404 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC001490048643 1209227370 /nfs/dbraw/zinc/22/73/70/1209227370.db2.gz PTTZUHNHTQALLF-SQNIBIBYSA-N 2 0 362.518 0.587 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCN1C(=O)COCC[NH+](C)C ZINC001490102648 1209230231 /nfs/dbraw/zinc/23/02/31/1209230231.db2.gz LOOVSRRCNRDVFA-CABCVRRESA-N 2 0 354.495 0.155 10 0 FCAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850808553 1209489785 /nfs/dbraw/zinc/48/97/85/1209489785.db2.gz WQUHXEHCKZYLBQ-PBHICJAKSA-N 2 0 360.458 0.887 10 0 FCAERP C[C@@]1(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+](Cc2ccccc2)C1 ZINC000851687058 1209512664 /nfs/dbraw/zinc/51/26/64/1209512664.db2.gz YLOWNYSELQNFDI-SGDIKTSBSA-N 2 0 370.497 0.883 10 0 FCAERP CC[NH+]1CCN(Cc2ccc(CNC(=O)C3=NO[C@H](C[NH3+])C3)cc2)CC1 ZINC000852873175 1209571121 /nfs/dbraw/zinc/57/11/21/1209571121.db2.gz QGXZERSEHGDCLV-KRWDZBQOSA-N 2 0 359.474 0.544 10 0 FCAERP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852872730 1209571766 /nfs/dbraw/zinc/57/17/66/1209571766.db2.gz KXXWKDGKYYRHPQ-QGZVFWFLSA-N 2 0 359.474 0.544 10 0 FCAERP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000852917409 1209575990 /nfs/dbraw/zinc/57/59/90/1209575990.db2.gz JINPBRYXGDFQAD-UHFFFAOYSA-N 2 0 358.486 0.569 10 0 FCAERP CC[N@H+](C)Cc1cc(O[C@@H]2CCN([C@@H](C)C(=O)NC(=O)NC)C2)ccn1 ZINC000856593359 1209717072 /nfs/dbraw/zinc/71/70/72/1209717072.db2.gz RNSCQUFPEBMWRK-XJKSGUPXSA-N 2 0 363.462 0.831 10 0 FCAERP O=C1OC[C@@H]2C[N@H+](Cc3ccccc3C[NH+]3C[C@@H]4COC(=O)[C@@H]4C3)C[C@H]12 ZINC000860163971 1209841485 /nfs/dbraw/zinc/84/14/85/1209841485.db2.gz CQYYCBJPJAGHRW-USTZCAOPSA-N 2 0 356.422 0.896 10 0 FCAERP CC[NH+]1CCC(NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC000861548202 1209870748 /nfs/dbraw/zinc/87/07/48/1209870748.db2.gz NJPMWOWTECXZPD-CVEARBPZSA-N 2 0 365.478 0.437 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000861760681 1209880517 /nfs/dbraw/zinc/88/05/17/1209880517.db2.gz LXEAIVSEYABJCP-XAUMDUMWSA-N 2 0 358.486 0.881 10 0 FCAERP COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000865195610 1209975164 /nfs/dbraw/zinc/97/51/64/1209975164.db2.gz NFOAQOHHUCIKPI-GJZGRUSLSA-N 2 0 372.510 0.668 10 0 FCAERP CN(C(=O)C(F)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000865718265 1209983243 /nfs/dbraw/zinc/98/32/43/1209983243.db2.gz XCRGTRKSCGHLRF-HOTGVXAUSA-N 2 0 366.481 0.715 10 0 FCAERP COc1ccc([C@H](C[NH3+])CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866712107 1210003960 /nfs/dbraw/zinc/00/39/60/1210003960.db2.gz RBVXZTYIRCZJJW-ATLSCFEFSA-N 2 0 360.458 0.604 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC(CCF)CC2)C[C@H]1C[NH+](C)C ZINC000867675533 1210021464 /nfs/dbraw/zinc/02/14/64/1210021464.db2.gz ABGTXHORGMRRFL-IAGOWNOFSA-N 2 0 370.513 0.782 10 0 FCAERP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000868230960 1210045259 /nfs/dbraw/zinc/04/52/59/1210045259.db2.gz SVGFWIRHGYCLJF-JCGIZDLHSA-N 2 0 372.469 0.620 10 0 FCAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868232418 1210045332 /nfs/dbraw/zinc/04/53/32/1210045332.db2.gz PLTIHMNUTSEUPX-YESZJQIVSA-N 2 0 362.474 0.913 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)CC[C@H]21 ZINC000868309218 1210051019 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/nfs/dbraw/zinc/09/99/90/1210099990.db2.gz IDENTGXFGCXUNM-HUUCEWRRSA-N 2 0 372.469 0.480 10 0 FCAERP C[NH2+]CCc1ccccc1C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872305394 1210189916 /nfs/dbraw/zinc/18/99/16/1210189916.db2.gz JTQSMYHHMYBICX-UAGQMJEPSA-N 2 0 358.442 0.456 10 0 FCAERP COC[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CCOCC1 ZINC000875712472 1210388745 /nfs/dbraw/zinc/38/87/45/1210388745.db2.gz OFEPLWQDLQNDHL-KZNAEPCWSA-N 2 0 370.538 0.809 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2(CO)CCN(CC(=O)NC(C)(C)C)CC2)CC[N@@H+]1C ZINC001274910209 1211142935 /nfs/dbraw/zinc/14/29/35/1211142935.db2.gz DJORQZHNAALWNG-HUUCEWRRSA-N 2 0 368.522 0.184 10 0 FCAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000924910522 1211484536 /nfs/dbraw/zinc/48/45/36/1211484536.db2.gz UWWLJEFANFQHPX-BYICEURKSA-N 2 0 358.490 0.445 10 0 FCAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(-n2cnnn2)cc1 ZINC000925850500 1211508815 /nfs/dbraw/zinc/50/88/15/1211508815.db2.gz BLOXCUCISAIAHP-BBRMVZONSA-N 2 0 356.430 0.998 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926298005 1211528248 /nfs/dbraw/zinc/52/82/48/1211528248.db2.gz DBILNKXJXXGEAG-DOTOQJQBSA-N 2 0 366.506 0.001 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926324708 1211531063 /nfs/dbraw/zinc/53/10/63/1211531063.db2.gz WRVDNOGZVYDESK-VQIMIIECSA-N 2 0 366.506 0.300 10 0 FCAERP CN(C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000926332638 1211533112 /nfs/dbraw/zinc/53/31/12/1211533112.db2.gz LVHAKTWYXMDZTK-CVEARBPZSA-N 2 0 364.490 0.038 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC[C@H]1C[NH3+] ZINC000926348598 1211537005 /nfs/dbraw/zinc/53/70/05/1211537005.db2.gz SSXFISJLBBFVBE-JYJNAYRXSA-N 2 0 366.506 0.141 10 0 FCAERP CCO[C@H](CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C[NH+](C)C ZINC000926841863 1211556860 /nfs/dbraw/zinc/55/68/60/1211556860.db2.gz NBRHHFDLFWXEQS-GOSISDBHSA-N 2 0 369.554 0.622 10 0 FCAERP CCO[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C[NH+](C)C ZINC000926842804 1211556885 /nfs/dbraw/zinc/55/68/85/1211556885.db2.gz SKVLVVTYGKJGBG-ZWKOTPCHSA-N 3 0 369.554 0.763 10 0 FCAERP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000927813260 1211582832 /nfs/dbraw/zinc/58/28/32/1211582832.db2.gz USUWLVJHDOMWRV-ZXFNITATSA-N 2 0 374.485 0.958 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2cncc(C(=O)N[C@H]3CC[NH+](C)[C@@H]3C)c2)CC[N@@H+]1C ZINC000928433611 1211602493 /nfs/dbraw/zinc/60/24/93/1211602493.db2.gz MVOUNWFXEWJWCJ-KFZJALRRSA-N 2 0 359.474 0.726 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccnc1 ZINC000928838581 1211611665 /nfs/dbraw/zinc/61/16/65/1211611665.db2.gz LPNHQHVIBZOBDG-SJORKVTESA-N 2 0 361.490 0.601 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000929143858 1211619103 /nfs/dbraw/zinc/61/91/03/1211619103.db2.gz XXMXAMJSRDIYPN-ABSDTBQOSA-N 2 0 358.486 0.816 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000929169753 1211620559 /nfs/dbraw/zinc/62/05/59/1211620559.db2.gz ZEQZEABRRXRZDX-IRXDYDNUSA-N 2 0 366.506 0.033 10 0 FCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000929402259 1211635822 /nfs/dbraw/zinc/63/58/22/1211635822.db2.gz GQASKKXGMZMOCX-WBVHZDCISA-N 2 0 366.506 0.347 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000929564490 1211646342 /nfs/dbraw/zinc/64/63/42/1211646342.db2.gz ZUTUCSQCEAQKAZ-INIZCTEOSA-N 2 0 369.554 0.032 10 0 FCAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000930202211 1211695354 /nfs/dbraw/zinc/69/53/54/1211695354.db2.gz LBELLHYUHSZEST-NVXWUHKLSA-N 2 0 366.506 0.347 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000930378947 1211705826 /nfs/dbraw/zinc/70/58/26/1211705826.db2.gz MJHLETDVKYMLTF-FUHIMQAGSA-N 2 0 364.534 0.881 10 0 FCAERP O=C(NC[C@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)C12CC[NH+](CC1)C2 ZINC000900662254 1218020841 /nfs/dbraw/zinc/02/08/41/1218020841.db2.gz KVQJPILISVTORF-DLBZAZTESA-N 2 0 374.529 0.969 10 0 FCAERP C/C(=C/C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)CN1CCOCC1 ZINC000901105685 1218081368 /nfs/dbraw/zinc/08/13/68/1218081368.db2.gz JPVHBDYHXMPFKZ-YHKKIHSWSA-N 2 0 364.490 0.030 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)C(=O)NCCc1ccccc1)C2 ZINC000903491781 1218426248 /nfs/dbraw/zinc/42/62/48/1218426248.db2.gz AQEILBXQAOHJBK-ASKNOMKYSA-N 2 0 359.470 0.946 10 0 FCAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507148 1218431486 /nfs/dbraw/zinc/43/14/86/1218431486.db2.gz OXLKQRAHVKQYEQ-WOZUAGRISA-N 3 0 358.530 0.818 10 0 FCAERP CN(C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000903719455 1218507182 /nfs/dbraw/zinc/50/71/82/1218507182.db2.gz LNSWPFWJKBGEIP-IRXDYDNUSA-N 2 0 358.486 0.915 10 0 FCAERP CC1(C)CN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[C@@H]1[NH3+] ZINC000903753269 1218515111 /nfs/dbraw/zinc/51/51/11/1218515111.db2.gz NGALPQISJVAAEP-INIZCTEOSA-N 2 0 366.506 0.286 10 0 FCAERP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000903778403 1218523521 /nfs/dbraw/zinc/52/35/21/1218523521.db2.gz NABUNABQBXNFGP-GASCZTMLSA-N 2 0 357.458 0.520 10 0 FCAERP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903885890 1218560307 /nfs/dbraw/zinc/56/03/07/1218560307.db2.gz LQRGIHGVJGUCTM-ARFHVFGLSA-N 2 0 364.494 0.566 10 0 FCAERP COCCCNC(=O)CN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001491216003 1220094489 /nfs/dbraw/zinc/09/44/89/1220094489.db2.gz WKEMVIOVFVNKIM-IXDOHACOSA-N 2 0 368.522 0.450 10 0 FCAERP C[C@@H]1C[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001117175881 1221489735 /nfs/dbraw/zinc/48/97/35/1221489735.db2.gz ZIAXFGHBETVMCD-CVEARBPZSA-N 2 0 359.474 0.482 10 0 FCAERP Cc1cc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)ccc1N1CC[NH+](C)CC1 ZINC001118481148 1221786960 /nfs/dbraw/zinc/78/69/60/1221786960.db2.gz WYDOHEDZUCXZSG-UHFFFAOYSA-N 2 0 371.485 0.635 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC3(F)F)C2)C[C@H]1C[NH+](C)C ZINC001119019973 1221856692 /nfs/dbraw/zinc/85/66/92/1221856692.db2.gz DMJYVKCSCKEEAV-CKEIUWERSA-N 2 0 372.460 0.442 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)c1cccc2c1C[NH2+]CC2 ZINC001119037389 1221859371 /nfs/dbraw/zinc/85/93/71/1221859371.db2.gz RYQLOHHUUBKTAW-CHWSQXEVSA-N 2 0 358.442 0.421 10 0 FCAERP CN(CCCCCC[NH3+])C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001119066260 1221861976 /nfs/dbraw/zinc/86/19/76/1221861976.db2.gz IQYFGZJWKRSCFF-UHFFFAOYSA-N 2 0 367.538 0.202 10 0 FCAERP COCCn1cc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC001119196963 1221885823 /nfs/dbraw/zinc/88/58/23/1221885823.db2.gz QIDQABADLRVRAF-IAGOWNOFSA-N 2 0 366.510 0.410 10 0 FCAERP CCO[C@H](CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)C[NH+](C)C ZINC001119849077 1221984580 /nfs/dbraw/zinc/98/45/80/1221984580.db2.gz ITMLEBJSVXIMPC-OAHLLOKOSA-N 2 0 365.478 0.935 10 0 FCAERP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC([C@@H](F)C(N)=O)CC3)C2)CC1 ZINC001123601178 1222342338 /nfs/dbraw/zinc/34/23/38/1222342338.db2.gz SDKIKBPMCPWYOO-GOEBONIOSA-N 2 0 369.485 0.400 10 0 FCAERP O=C(NC[C@H]1CCCC[N@H+]1CCO)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000838475863 1222681820 /nfs/dbraw/zinc/68/18/20/1222681820.db2.gz KRTBYPYXEYYPED-MSOLQXFVSA-N 2 0 368.522 0.776 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000841215811 1222814032 /nfs/dbraw/zinc/81/40/32/1222814032.db2.gz BQMSFVHFBDNCLV-CRAIPNDOSA-N 2 0 373.501 0.881 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000841215846 1222814282 /nfs/dbraw/zinc/81/42/82/1222814282.db2.gz BVXGPAXPIZKDGL-HOCLYGCPSA-N 2 0 359.474 0.491 10 0 FCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000842265417 1222845295 /nfs/dbraw/zinc/84/52/95/1222845295.db2.gz JNCNAIXDQCCFHQ-FUHWJXTLSA-N 2 0 360.502 0.734 10 0 FCAERP CCNC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001276589262 1223579100 /nfs/dbraw/zinc/57/91/00/1223579100.db2.gz OKAHDCIHOBYWLS-SOUVJXGZSA-N 2 0 367.494 0.047 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000818994664 1245316288 /nfs/dbraw/zinc/31/62/88/1245316288.db2.gz IRZHYCYNTJREHA-KRWDZBQOSA-N 2 0 370.538 0.831 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCN(CC[NH+](C)C)CC2)cn1 ZINC000849488925 1245396236 /nfs/dbraw/zinc/39/62/36/1245396236.db2.gz PSOABCYDYZGAFN-QZTJIDSGSA-N 2 0 362.522 0.161 10 0 FCAERP CC[NH+](CC)CCOCCNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849571570 1245401814 /nfs/dbraw/zinc/40/18/14/1245401814.db2.gz HHWALSVIQYGKNE-MSOLQXFVSA-N 2 0 365.522 0.930 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@@H]2CCC[NH+]2CCCO)cn1 ZINC000849596471 1245404502 /nfs/dbraw/zinc/40/45/02/1245404502.db2.gz AGZIMXTXLMRBKX-OKZBNKHCSA-N 2 0 363.506 0.418 10 0 FCAERP O[C@H](Cn1cccn1)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923398610 1245714417 /nfs/dbraw/zinc/71/44/17/1245714417.db2.gz MFHMPBPFAIIBKJ-CVEARBPZSA-N 2 0 359.478 0.256 10 0 FCAERP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416276 1245717986 /nfs/dbraw/zinc/71/79/86/1245717986.db2.gz VANGQDWGJKIOLX-HPFXQQBRSA-N 2 0 361.442 0.602 10 0 FCAERP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCNCC[NH2+]CC3)CC2)cc1 ZINC000923459705 1245719989 /nfs/dbraw/zinc/71/99/89/1245719989.db2.gz MANBEAPEDADSGY-UHFFFAOYSA-N 2 0 373.545 0.524 10 0 FCAERP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC[C@@]([NH3+])(CO)C3)CC2)cc1 ZINC000923472666 1245721854 /nfs/dbraw/zinc/72/18/54/1245721854.db2.gz LMDRTCFUATUYSB-NRFANRHFSA-N 2 0 374.529 0.815 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001519456598 1265720697 /nfs/dbraw/zinc/72/06/97/1265720697.db2.gz QLUHVBOLFQADHW-RVKKMQEKSA-N 2 0 354.495 0.384 10 0 FCAERP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@H]1C[NH+](C)CCN1C ZINC001519655308 1265744654 /nfs/dbraw/zinc/74/46/54/1265744654.db2.gz QGHLAEVKVLRVTO-ZJIFWQFVSA-N 2 0 355.552 0.500 10 0 FCAERP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@@H]1C[NH+](C)CCN1C ZINC001519655304 1265745222 /nfs/dbraw/zinc/74/52/22/1265745222.db2.gz QGHLAEVKVLRVTO-FZKCQIBNSA-N 2 0 355.552 0.500 10 0 FCAERP [NH3+]C1CCC(NC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001329837785 1265865837 /nfs/dbraw/zinc/86/58/37/1265865837.db2.gz KNQXJROHHLVULK-UHFFFAOYSA-N 2 0 366.506 0.380 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001520842089 1266017624 /nfs/dbraw/zinc/01/76/24/1266017624.db2.gz BPPXKSAGPOIJPC-PMPSAXMXSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC3(CCC3)C2)C[C@H]1C[NH+](C)C ZINC001335598135 1259735330 /nfs/dbraw/zinc/73/53/30/1259735330.db2.gz LRCQDAVPMDEJLQ-HZPDHXFCSA-N 2 0 350.507 0.587 10 0 FCAERP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001335609838 1259740872 /nfs/dbraw/zinc/74/08/72/1259740872.db2.gz MIDVCBLADKVKKL-INIZCTEOSA-N 2 0 350.507 0.873 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1cccc2c1C[NH2+]CC2 ZINC001335710323 1259798610 /nfs/dbraw/zinc/79/86/10/1259798610.db2.gz BIMFRGLXSHNYRL-IBGZPJMESA-N 2 0 358.442 0.409 10 0 FCAERP CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001264653070 1260394474 /nfs/dbraw/zinc/39/44/74/1260394474.db2.gz IMXBZYQVIVJJGV-AEFFLSMTSA-N 2 0 363.506 0.875 10 0 FCAERP CC(=O)N(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1cccc2c1C[NH2+]CC2 ZINC001332134271 1266341572 /nfs/dbraw/zinc/34/15/72/1266341572.db2.gz GFMNGUSXADPQMT-UHFFFAOYSA-N 2 0 360.458 0.655 10 0 FCAERP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC(c3c[nH]cn3)CC2)C[C@@H]1C(F)(F)F ZINC001332232053 1266362860 /nfs/dbraw/zinc/36/28/60/1266362860.db2.gz NMEXPUKKELLFHN-RYUDHWBXSA-N 2 0 373.379 0.711 10 0 FCAERP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001281759706 1261185000 /nfs/dbraw/zinc/18/50/00/1261185000.db2.gz UDXJQNAVIPICOB-NVXWUHKLSA-N 2 0 368.522 0.260 10 0 FCAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1OCC ZINC001282179923 1261371565 /nfs/dbraw/zinc/37/15/65/1261371565.db2.gz TTWXJSVKZZRIGO-BRWVUGGUSA-N 2 0 368.522 0.260 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001282347027 1261419211 /nfs/dbraw/zinc/41/92/11/1261419211.db2.gz DKTWVKFDFOUCKA-PVAVHDDUSA-N 2 0 362.518 0.776 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001282632305 1261559750 /nfs/dbraw/zinc/55/97/50/1261559750.db2.gz MVXFBLBWPWNNQC-OWSLCNJRSA-N 2 0 362.518 0.918 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)COCC[NH+](C)C)CCCC2)CC[N@@H+]1C ZINC001285115601 1261811335 /nfs/dbraw/zinc/81/13/35/1261811335.db2.gz FUJFVILDAUUGCK-HZPDHXFCSA-N 2 0 368.522 0.450 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCN(CCOC)C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001288245593 1262015447 /nfs/dbraw/zinc/01/54/47/1262015447.db2.gz PGURBDDOSNZZOF-GVDBMIGSSA-N 2 0 368.522 0.402 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001288951452 1262049285 /nfs/dbraw/zinc/04/92/85/1262049285.db2.gz TUCWPPAHYUVRAF-RCCFBDPRSA-N 2 0 362.518 0.729 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001290259167 1262414655 /nfs/dbraw/zinc/41/46/55/1262414655.db2.gz GINSUWDCVIJGKD-BRWVUGGUSA-N 2 0 368.522 0.402 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001290263098 1262416102 /nfs/dbraw/zinc/41/61/02/1262416102.db2.gz FLYXNKLECDHUFN-IXDOHACOSA-N 2 0 368.522 0.402 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001290825358 1262515044 /nfs/dbraw/zinc/51/50/44/1262515044.db2.gz LKTGRMLEITZXNM-AXVVYFOYSA-N 2 0 364.534 0.975 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC001290849287 1262520314 /nfs/dbraw/zinc/52/03/14/1262520314.db2.gz ARJYMTFIIYOFCG-FXAWDEMLSA-N 2 0 364.534 0.977 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCCNC(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1C ZINC001293358232 1262715294 /nfs/dbraw/zinc/71/52/94/1262715294.db2.gz MJXHCWHRTIAGHI-NVXWUHKLSA-N 2 0 361.490 0.871 10 0 FCAERP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccon2)C1)[NH+](C)C ZINC001479475216 1263213864 /nfs/dbraw/zinc/21/38/64/1263213864.db2.gz HSTVXIMKNVJGMJ-MJBXVCDLSA-N 2 0 351.451 0.828 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001479530671 1263239083 /nfs/dbraw/zinc/23/90/83/1263239083.db2.gz CTTYJIKJTKXWQM-BRWVUGGUSA-N 2 0 366.506 0.156 10 0 FCAERP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001479670835 1263329592 /nfs/dbraw/zinc/32/95/92/1263329592.db2.gz NRJVLGQJOVKZOD-IKGGRYGDSA-N 2 0 350.507 0.777 10 0 FCAERP 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C[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)CN(C)C(=O)OC(C)(C)C ZINC001326599718 870403737 /nfs/dbraw/zinc/40/37/37/870403737.db2.gz PGTZHTMSKKOEKN-HOTGVXAUSA-N 2 0 358.527 0.687 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1C ZINC001346156046 871672605 /nfs/dbraw/zinc/67/26/05/871672605.db2.gz LWBJKQVHQAGHMF-UKRRQHHQSA-N 2 0 350.467 0.324 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC[C@@H](C)[NH2+]C)CC1 ZINC001329090544 871817170 /nfs/dbraw/zinc/81/71/70/871817170.db2.gz CJWLRCWDGACALJ-OAHLLOKOSA-N 2 0 354.495 0.204 10 0 FCAERP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001346450684 871846903 /nfs/dbraw/zinc/84/69/03/871846903.db2.gz XQKYRNUBOMFLCT-ZACQAIPSSA-N 2 0 350.507 0.635 10 0 FCAERP C[C@H](NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001346607752 871931327 /nfs/dbraw/zinc/93/13/27/871931327.db2.gz WJFFDXAXLPKQMC-ULQDDVLXSA-N 2 0 355.527 0.373 10 0 FCAERP 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215275493 /nfs/dbraw/zinc/27/54/93/215275493.db2.gz PXKYALPJYIEHEA-GUYCJALGSA-N 2 0 365.457 0.830 10 0 FCAERP Cn1cc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333468422 215285638 /nfs/dbraw/zinc/28/56/38/215285638.db2.gz HUQZTZBBXOOYTK-GTPINHCMSA-N 2 0 374.533 0.833 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000333737026 215315613 /nfs/dbraw/zinc/31/56/13/215315613.db2.gz XAQDZVBJDCCDLI-IRXDYDNUSA-N 2 0 360.458 0.525 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000284983596 213260670 /nfs/dbraw/zinc/26/06/70/213260670.db2.gz ISVHCBCJESFQAT-ROUUACIJSA-N 2 0 360.502 0.876 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000284913504 213247039 /nfs/dbraw/zinc/24/70/39/213247039.db2.gz GGYKDNBLGGFKDE-SZVBFZGTSA-N 2 0 372.513 0.874 10 0 FCAERP C[C@H](CNC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[N@H+](C)C1CC1 ZINC000284284015 213103499 /nfs/dbraw/zinc/10/34/99/213103499.db2.gz 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O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188983577 209243064 /nfs/dbraw/zinc/24/30/64/209243064.db2.gz DAWQKLFXIGKSGH-HUUCEWRRSA-N 2 0 355.442 0.421 10 0 FCAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)C3(S(=O)(=O)NC(C)(C)C)CCC3)C[C@@H]2C1 ZINC000931443239 674115370 /nfs/dbraw/zinc/11/53/70/674115370.db2.gz UQZBDVXSQAXQHS-PMPSAXMXSA-N 2 0 373.563 0.871 10 0 FCAERP [NH3+]CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415289983 245379245 /nfs/dbraw/zinc/37/92/45/245379245.db2.gz FEGFBXKAEXHCGM-UHFFFAOYSA-N 2 0 350.488 0.681 10 0 FCAERP O=C1C[C@]2(CC[NH+](CCCCCC[N@H+]3CC[C@@]4(CNC(=O)C4)C3)C2)CN1 ZINC000375926241 217335994 /nfs/dbraw/zinc/33/59/94/217335994.db2.gz FAJOQKWXQQDYCL-WOJBJXKFSA-N 2 0 362.518 0.971 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000418555754 245799685 /nfs/dbraw/zinc/79/96/85/245799685.db2.gz DUFYRIQJCDTQQI-DOTOQJQBSA-N 2 0 356.511 0.753 10 0 FCAERP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419154008 246020420 /nfs/dbraw/zinc/02/04/20/246020420.db2.gz QLWXLQHYHUHEPP-MRXNPFEDSA-N 2 0 362.474 0.502 10 0 FCAERP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419154006 246020580 /nfs/dbraw/zinc/02/05/80/246020580.db2.gz QLWXLQHYHUHEPP-INIZCTEOSA-N 2 0 362.474 0.502 10 0 FCAERP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000419156992 246022105 /nfs/dbraw/zinc/02/21/05/246022105.db2.gz UKZVSZCPCSWXQD-DOTOQJQBSA-N 2 0 352.523 0.975 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419158822 246023203 /nfs/dbraw/zinc/02/32/03/246023203.db2.gz YJLLKFKFTZEGQQ-ZBFHGGJFSA-N 2 0 362.474 0.357 10 0 FCAERP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000419158180 246023952 /nfs/dbraw/zinc/02/39/52/246023952.db2.gz WEEVTOLBEHSEOQ-WBVHZDCISA-N 2 0 352.523 0.975 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419136684 246010406 /nfs/dbraw/zinc/01/04/06/246010406.db2.gz PLGANQZYMODHEZ-NJAFHUGGSA-N 2 0 358.486 0.881 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419136103 246010743 /nfs/dbraw/zinc/01/07/43/246010743.db2.gz OINHVPGTXVIKIZ-NXHRZFHOSA-N 2 0 358.486 0.881 10 0 FCAERP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000419219158 246061958 /nfs/dbraw/zinc/06/19/58/246061958.db2.gz STUVKXHNYAVPAU-MRXNPFEDSA-N 2 0 362.474 0.502 10 0 FCAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419371651 246123292 /nfs/dbraw/zinc/12/32/92/246123292.db2.gz JFQLQSPDCOTGGJ-YOEHRIQHSA-N 2 0 358.486 0.316 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419416429 246150753 /nfs/dbraw/zinc/15/07/53/246150753.db2.gz HBVDKCLZCRGZDE-YJBOKZPZSA-N 2 0 358.486 0.665 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000419411031 246144965 /nfs/dbraw/zinc/14/49/65/246144965.db2.gz PRSJTCRBILBJEA-MRXNPFEDSA-N 2 0 350.438 0.755 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419440867 246164699 /nfs/dbraw/zinc/16/46/99/246164699.db2.gz LNEYKTXWGHYBND-HOTGVXAUSA-N 2 0 356.511 0.584 10 0 FCAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419509808 246185222 /nfs/dbraw/zinc/18/52/22/246185222.db2.gz UVLMSRTYYRMXDB-ROUUACIJSA-N 2 0 358.486 0.883 10 0 FCAERP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000419524194 246191055 /nfs/dbraw/zinc/19/10/55/246191055.db2.gz BMFPBIFEKGYCCK-URGYJCLVSA-N 2 0 352.479 0.349 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000419473306 246176352 /nfs/dbraw/zinc/17/63/52/246176352.db2.gz AEFWOWVQAVAUGW-YYIAUSFCSA-N 2 0 352.523 0.975 10 0 FCAERP COc1ccccc1[C@H]1CNCCN1C(=O)C(=O)N[C@H](C)Cn1ccnc1 ZINC000419677950 246243987 /nfs/dbraw/zinc/24/39/87/246243987.db2.gz DGOYQALPUFMHQL-GDBMZVCRSA-N 2 0 371.441 0.570 10 0 FCAERP [NH3+][C@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000419680113 246245970 /nfs/dbraw/zinc/24/59/70/246245970.db2.gz GPBMIRYONFHMKX-QGZVFWFLSA-N 2 0 374.485 0.564 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N1CCNC[C@H]1c1cccnc1)C1CCCC1 ZINC000419689321 246252640 /nfs/dbraw/zinc/25/26/40/246252640.db2.gz ALXHAZBMBVCUOK-KRWDZBQOSA-N 2 0 359.474 0.545 10 0 FCAERP O=C(NCCN1CCc2c(Cl)cccc2C1)C(=O)N1CC[NH2+]CC1 ZINC000419707396 246262082 /nfs/dbraw/zinc/26/20/82/246262082.db2.gz FHJLITMTDCYPHA-UHFFFAOYSA-N 2 0 350.850 0.246 10 0 FCAERP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000419738785 246277544 /nfs/dbraw/zinc/27/75/44/246277544.db2.gz VLBJWKARUGROOD-SJORKVTESA-N 2 0 364.465 0.927 10 0 FCAERP [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000419858833 246328761 /nfs/dbraw/zinc/32/87/61/246328761.db2.gz INRTWBANEIBCPF-WBVHZDCISA-N 2 0 350.507 0.955 10 0 FCAERP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000419918649 246367840 /nfs/dbraw/zinc/36/78/40/246367840.db2.gz UXRPCFQLJNHJHQ-HLLBOEOZSA-N 2 0 362.474 0.418 10 0 FCAERP [NH3+][C@H](CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccccc1 ZINC000419907363 246361855 /nfs/dbraw/zinc/36/18/55/246361855.db2.gz CDDHBJKCBMNJEG-GOSISDBHSA-N 2 0 374.485 0.373 10 0 FCAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000420092341 246460062 /nfs/dbraw/zinc/46/00/62/246460062.db2.gz BTUSXFZRJYKYFF-ZFWWWQNUSA-N 2 0 352.504 0.753 10 0 FCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000420116569 246479218 /nfs/dbraw/zinc/47/92/18/246479218.db2.gz HGKLDJUCVMCSCK-DZGCQCFKSA-N 2 0 352.504 0.753 10 0 FCAERP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000423084565 246960697 /nfs/dbraw/zinc/96/06/97/246960697.db2.gz IJEJGBYTNGGABL-NVXWUHKLSA-N 2 0 350.507 0.907 10 0 FCAERP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000423827686 247144391 /nfs/dbraw/zinc/14/43/91/247144391.db2.gz NRTHCSQUEBCPNZ-BQFCYCMXSA-N 2 0 361.442 0.980 10 0 FCAERP C[C@@H]1CC2(CN1C(=O)C(=O)NCCCC[NH+]1CCOCC1)CC[NH2+]CC2 ZINC000424525227 247250717 /nfs/dbraw/zinc/25/07/17/247250717.db2.gz QQNDSZLHFJJHAL-MRXNPFEDSA-N 2 0 366.506 0.206 10 0 FCAERP O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CC[NH2+]CC2)on1)NC1CC1 ZINC000022936347 206396211 /nfs/dbraw/zinc/39/62/11/206396211.db2.gz IZHZWVOQQJXSNQ-GJZGRUSLSA-N 2 0 361.490 0.517 10 0 FCAERP NC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@H](NC(N)=O)C3)c2)C1 ZINC000270711984 211254244 /nfs/dbraw/zinc/25/42/44/211254244.db2.gz ZUCWUIJFPYHTDH-IYBDPMFKSA-N 2 0 360.462 0.172 10 0 FCAERP COC(=O)[C@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@H+](C)C1 ZINC000413521147 532989700 /nfs/dbraw/zinc/98/97/00/532989700.db2.gz UJJSKQIBAVRQGL-QQFBHYJXSA-N 2 0 352.479 0.750 10 0 FCAERP C[NH+](C)CCN1C[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1=O ZINC000073009977 208044431 /nfs/dbraw/zinc/04/44/31/208044431.db2.gz IZRPYVAKANMPRZ-QZTJIDSGSA-N 2 0 360.502 0.686 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000076978128 208069779 /nfs/dbraw/zinc/06/97/79/208069779.db2.gz KPGYFWZWJDYSSM-WMZOPIPTSA-N 2 0 368.522 0.897 10 0 FCAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)N1CCNC1=O ZINC000112550087 208297258 /nfs/dbraw/zinc/29/72/58/208297258.db2.gz MFLXBIOQAIBRRQ-MAUKXSAKSA-N 2 0 374.485 0.962 10 0 FCAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C1 ZINC000178885079 209064502 /nfs/dbraw/zinc/06/45/02/209064502.db2.gz LFYNIBOXQZJEMG-SFHVURJKSA-N 2 0 352.523 0.630 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000605248409 484321919 /nfs/dbraw/zinc/32/19/19/484321919.db2.gz LIPOUMZEABENIL-HNNXBMFYSA-N 2 0 372.429 0.433 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000554256869 491189712 /nfs/dbraw/zinc/18/97/12/491189712.db2.gz MMWNNNWHKNGIBA-YOEHRIQHSA-N 2 0 350.507 0.824 10 0 FCAERP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000041643405 487836246 /nfs/dbraw/zinc/83/62/46/487836246.db2.gz SLUHXAWEGBAXMC-KRWDZBQOSA-N 2 0 362.474 0.650 10 0 FCAERP O=C(C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000052931379 488186812 /nfs/dbraw/zinc/18/68/12/488186812.db2.gz WYKVSGVFXNDJQG-MRXNPFEDSA-N 2 0 362.518 0.968 10 0 FCAERP CN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000562816615 491192092 /nfs/dbraw/zinc/19/20/92/491192092.db2.gz ZSTPQBZIUTVWEI-ZIAGYGMSSA-N 2 0 363.428 0.701 10 0 FCAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000072901339 488383446 /nfs/dbraw/zinc/38/34/46/488383446.db2.gz KUAGKCJZQXOEIE-UHFFFAOYSA-N 2 0 373.501 0.839 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CC[NH+](CC)CC1 ZINC000073243138 488384231 /nfs/dbraw/zinc/38/42/31/488384231.db2.gz YSYYZCYUTOVJTK-GOSISDBHSA-N 3 0 353.555 0.498 10 0 FCAERP C[C@@H]1CN(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000073435360 488384598 /nfs/dbraw/zinc/38/45/98/488384598.db2.gz DQHYKQXTFYOEIZ-IYBDPMFKSA-N 2 0 364.556 0.546 10 0 FCAERP C[C@@H]1C[NH+](CCCNC(=O)NCCCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000192475138 488422437 /nfs/dbraw/zinc/42/24/37/488422437.db2.gz YZMISBPMGHFDGK-IAGOWNOFSA-N 2 0 356.511 0.897 10 0 FCAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000246986711 488479829 /nfs/dbraw/zinc/47/98/29/488479829.db2.gz JFCZYMZCLFGMTA-MOPGFXCFSA-N 2 0 372.513 0.924 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1=O ZINC000247021363 488480317 /nfs/dbraw/zinc/48/03/17/488480317.db2.gz MZKVNRORHIHQNW-ZACQAIPSSA-N 2 0 366.506 0.108 10 0 FCAERP COCCN1CC[N@H+](CCCN2CC[NH+](CCOC)[C@@H](C)C2)C[C@@H]1C ZINC000247162029 488482948 /nfs/dbraw/zinc/48/29/48/488482948.db2.gz ZMIBPLUDCBMXMT-OALUTQOASA-N 2 0 356.555 0.682 10 0 FCAERP CC[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000248445938 488496930 /nfs/dbraw/zinc/49/69/30/488496930.db2.gz FKVJPYJOQGVVMC-FUHWJXTLSA-N 2 0 369.554 0.499 10 0 FCAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103168812 488499975 /nfs/dbraw/zinc/49/99/75/488499975.db2.gz BJXDTPOOIYIRMU-FQEVSTJZSA-N 2 0 374.529 0.719 10 0 FCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCCCN2CCCC2=O)CC1 ZINC000106125852 488511655 /nfs/dbraw/zinc/51/16/55/488511655.db2.gz RKACXWUQHCCADY-MRXNPFEDSA-N 2 0 368.522 0.140 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000111813900 488531443 /nfs/dbraw/zinc/53/14/43/488531443.db2.gz RIFMRDOYJMLTTQ-KRWDZBQOSA-N 2 0 355.527 0.422 10 0 FCAERP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2([NH3+])CCOCC2)CC1 ZINC000261861913 488539005 /nfs/dbraw/zinc/53/90/05/488539005.db2.gz NFGDUBMERYLVGQ-UHFFFAOYSA-N 2 0 360.502 0.948 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000119725167 488558698 /nfs/dbraw/zinc/55/86/98/488558698.db2.gz GAQJJYWGTSQHSU-GDBMZVCRSA-N 2 0 364.494 0.572 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000119723983 488558711 /nfs/dbraw/zinc/55/87/11/488558711.db2.gz SNBVAZHUJQVLLT-CABCVRRESA-N 2 0 364.494 0.572 10 0 FCAERP CC(C)C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NCC[NH+](C)C ZINC000120241066 488560731 /nfs/dbraw/zinc/56/07/31/488560731.db2.gz ZZWIOYWIRYLXEK-RDJZCZTQSA-N 2 0 367.538 0.862 10 0 FCAERP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262405294 488568808 /nfs/dbraw/zinc/56/88/08/488568808.db2.gz YVJJYJWADSDYSK-IRXDYDNUSA-N 2 0 352.523 0.759 10 0 FCAERP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cn1 ZINC000262679369 488586037 /nfs/dbraw/zinc/58/60/37/488586037.db2.gz VUCXVIRAPGWIAN-BMFZPTHFSA-N 2 0 362.478 0.420 10 0 FCAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000136767678 488679191 /nfs/dbraw/zinc/67/91/91/488679191.db2.gz UHYFUEWPJUUVMR-LJQANCHMSA-N 2 0 366.550 0.972 10 0 FCAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000136767729 488679259 /nfs/dbraw/zinc/67/92/59/488679259.db2.gz UHYFUEWPJUUVMR-IBGZPJMESA-N 2 0 366.550 0.972 10 0 FCAERP 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/nfs/dbraw/zinc/86/38/16/488863816.db2.gz BJUMEACPSHUHNE-ZACQAIPSSA-N 2 0 356.511 0.584 10 0 FCAERP C[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC(=O)NC1 ZINC000281541072 489084430 /nfs/dbraw/zinc/08/44/30/489084430.db2.gz IQUYCSGCTDEOCT-IBGZPJMESA-N 2 0 359.474 0.626 10 0 FCAERP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000286469850 489394619 /nfs/dbraw/zinc/39/46/19/489394619.db2.gz KPLXXVLOYGHQHA-CYBMUJFWSA-N 2 0 352.454 0.960 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000563561962 491255162 /nfs/dbraw/zinc/25/51/62/491255162.db2.gz GTCOHQZRDORIHT-QGZVFWFLSA-N 2 0 358.490 0.869 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000423272572 489509693 /nfs/dbraw/zinc/50/96/93/489509693.db2.gz ZGGLCNZHCREBFN-IBGZPJMESA-N 2 0 368.522 0.405 10 0 FCAERP CN(C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000423275478 489510753 /nfs/dbraw/zinc/51/07/53/489510753.db2.gz NBXCNPHYMSGEJP-IAGOWNOFSA-N 2 0 362.518 0.918 10 0 FCAERP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000563639400 491260422 /nfs/dbraw/zinc/26/04/22/491260422.db2.gz DOUPPLLVETVWDO-HZPDHXFCSA-N 2 0 355.527 0.109 10 0 FCAERP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000563639399 491260616 /nfs/dbraw/zinc/26/06/16/491260616.db2.gz DOUPPLLVETVWDO-HOTGVXAUSA-N 2 0 355.527 0.109 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])c(C)c2)CC1 ZINC000415811063 489554148 /nfs/dbraw/zinc/55/41/48/489554148.db2.gz RFHHUZRWYFXHCD-GJZGRUSLSA-N 2 0 361.490 0.927 10 0 FCAERP C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H](O)CN3CCOCC3)cc2)CC1 ZINC000570794526 491264780 /nfs/dbraw/zinc/26/47/80/491264780.db2.gz WPKXWVCAQRTTJS-FQEVSTJZSA-N 2 0 362.518 0.217 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417202350 489644702 /nfs/dbraw/zinc/64/47/02/489644702.db2.gz XJCSYTHCVBMHMN-OALUTQOASA-N 2 0 359.518 0.848 10 0 FCAERP O=C(NCCC1=CC[NH2+]CC1)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000417697166 489661485 /nfs/dbraw/zinc/66/14/85/489661485.db2.gz CNOYIEMQJRPCOZ-UHFFFAOYSA-N 2 0 363.506 0.540 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000417833318 489668111 /nfs/dbraw/zinc/66/81/11/489668111.db2.gz DTSPHTIXXQMIPZ-GDBMZVCRSA-N 2 0 367.538 0.910 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H]2Cc3cccc(O)c3C2)C1 ZINC000429316422 489681455 /nfs/dbraw/zinc/68/14/55/489681455.db2.gz LNQPNGYEXWKEMA-IRXDYDNUSA-N 2 0 361.486 0.922 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000458542991 489688190 /nfs/dbraw/zinc/68/81/90/489688190.db2.gz CFBKGFRWAVJUSX-OKZBNKHCSA-N 2 0 368.522 0.510 10 0 FCAERP [NH3+][C@H](CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000418443965 489699299 /nfs/dbraw/zinc/69/92/99/489699299.db2.gz GEQHGSXLOVQNGU-IAGOWNOFSA-N 2 0 359.474 0.540 10 0 FCAERP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1C[NH2+]CCC1(F)F ZINC000418620390 489710896 /nfs/dbraw/zinc/71/08/96/489710896.db2.gz QRQAPKISPVYUDZ-VHSXEESVSA-N 2 0 359.343 0.119 10 0 FCAERP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000418796544 489729068 /nfs/dbraw/zinc/72/90/68/489729068.db2.gz DUHPMKWTMURAEM-ZDUSSCGKSA-N 2 0 368.428 0.723 10 0 FCAERP C[C@]1(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[N@@H+]1Cc1ccccc1 ZINC000418810931 489733628 /nfs/dbraw/zinc/73/36/28/489733628.db2.gz HOHQPPLQQOAPLH-LVCYWYKZSA-N 2 0 370.497 0.978 10 0 FCAERP COc1cccc([C@@H](CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)[NH+](C)C)c1 ZINC000418868012 489765995 /nfs/dbraw/zinc/76/59/95/489765995.db2.gz VNZSPLFDMJZCPB-NVXWUHKLSA-N 2 0 362.474 0.672 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000418875292 489769691 /nfs/dbraw/zinc/76/96/91/489769691.db2.gz KGUDIDGGPNMTEI-CADBVGFASA-N 2 0 372.513 0.861 10 0 FCAERP C[C@@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418876376 489769767 /nfs/dbraw/zinc/76/97/67/489769767.db2.gz GJYUUKBIVMADFM-ANQUJSFKSA-N 2 0 350.507 0.870 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000418880548 489772626 /nfs/dbraw/zinc/77/26/26/489772626.db2.gz VNYPTGSFYBVPAY-NXHRZFHOSA-N 2 0 360.502 0.719 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC2=CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000418900430 489782369 /nfs/dbraw/zinc/78/23/69/489782369.db2.gz DAKBNGWSXSSNBE-ZWKOTPCHSA-N 2 0 356.470 0.974 10 0 FCAERP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC2=CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000418900417 489782432 /nfs/dbraw/zinc/78/24/32/489782432.db2.gz DAKBNGWSXSSNBE-MSOLQXFVSA-N 2 0 356.470 0.974 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418914480 489788503 /nfs/dbraw/zinc/78/85/03/489788503.db2.gz FRRMLWOUAYJNKO-MRXNPFEDSA-N 2 0 368.522 0.627 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)[C@@H]1c1ccccc1 ZINC000418916882 489791517 /nfs/dbraw/zinc/79/15/17/489791517.db2.gz XRVRSQQLBYYVEC-IKGGRYGDSA-N 2 0 360.458 0.043 10 0 FCAERP O=C(C(=O)N1CCC(C[NH+]2CCCC2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000459959761 489804810 /nfs/dbraw/zinc/80/48/10/489804810.db2.gz USEDYQYUULKKLQ-GOSISDBHSA-N 2 0 360.502 0.794 10 0 FCAERP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418985359 489810858 /nfs/dbraw/zinc/81/08/58/489810858.db2.gz WMFHPSWBKVXAJM-QGZVFWFLSA-N 2 0 355.442 0.941 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000419108183 489858218 /nfs/dbraw/zinc/85/82/18/489858218.db2.gz LVCIUFSGPOLCGQ-CYBMUJFWSA-N 2 0 360.380 0.889 10 0 FCAERP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C1(C)C ZINC000564082963 491287992 /nfs/dbraw/zinc/28/79/92/491287992.db2.gz DMZHUBPMZNGCDH-YBSITQRDSA-N 2 0 352.523 0.852 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000420058377 489898092 /nfs/dbraw/zinc/89/80/92/489898092.db2.gz JSMIIINGFDOWBM-GOEBONIOSA-N 2 0 366.506 0.550 10 0 FCAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000420105472 489913661 /nfs/dbraw/zinc/91/36/61/489913661.db2.gz SKTWKFBXAQHSQU-WMZOPIPTSA-N 2 0 360.502 0.999 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420114422 489917253 /nfs/dbraw/zinc/91/72/53/489917253.db2.gz JMZRSDMHOZXXQN-KANFNMMFSA-N 2 0 370.497 0.691 10 0 FCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420120249 489918911 /nfs/dbraw/zinc/91/89/11/489918911.db2.gz JSWXLSGJQBSARY-WMLDXEAASA-N 2 0 364.465 0.830 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420120244 489919187 /nfs/dbraw/zinc/91/91/87/489919187.db2.gz JSWXLSGJQBSARY-PBHICJAKSA-N 2 0 364.465 0.830 10 0 FCAERP CNC(=O)CCOC1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000494922316 489920245 /nfs/dbraw/zinc/92/02/45/489920245.db2.gz KWAGMAJZDRIOFO-UHFFFAOYSA-N 2 0 368.522 0.593 10 0 FCAERP CON(C)C(=O)CC[N@H+](C)[C@H]1CCC[NH+](CCC(=O)N(C)OC)CC1 ZINC000377569665 489921655 /nfs/dbraw/zinc/92/16/55/489921655.db2.gz WNMSKPXDWSMOBE-HNNXBMFYSA-N 2 0 358.483 0.593 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420133641 489924738 /nfs/dbraw/zinc/92/47/38/489924738.db2.gz CQOLMZYBPBTOHZ-WMLDXEAASA-N 2 0 364.465 0.830 10 0 FCAERP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000434706251 489950022 /nfs/dbraw/zinc/95/00/22/489950022.db2.gz MEZBTGKDDLDANY-SFHVURJKSA-N 2 0 358.486 0.835 10 0 FCAERP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000420211314 489953488 /nfs/dbraw/zinc/95/34/88/489953488.db2.gz WWSUAEQLRRAQMU-DLBZAZTESA-N 2 0 366.506 0.206 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000477683860 489984926 /nfs/dbraw/zinc/98/49/26/489984926.db2.gz SKRRYQPAMIWULX-GOEBONIOSA-N 2 0 350.507 0.966 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000477721665 489987083 /nfs/dbraw/zinc/98/70/83/489987083.db2.gz 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491543677 /nfs/dbraw/zinc/54/36/77/491543677.db2.gz XNEUBPPBQFYYCA-INIZCTEOSA-N 2 0 362.474 0.000 10 0 FCAERP Cc1ccc(C(=O)N2CCC([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000575981480 491573781 /nfs/dbraw/zinc/57/37/81/491573781.db2.gz NXUHFWIVSUYALC-FQEVSTJZSA-N 2 0 374.529 0.798 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000561118374 491575954 /nfs/dbraw/zinc/57/59/54/491575954.db2.gz MNAPMTSBIJBLOM-IRXDYDNUSA-N 2 0 368.522 0.594 10 0 FCAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000561120766 491576580 /nfs/dbraw/zinc/57/65/80/491576580.db2.gz JUOWXALACFRQLG-IRXDYDNUSA-N 2 0 368.522 0.404 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC000561156204 491579361 /nfs/dbraw/zinc/57/93/61/491579361.db2.gz RVIPJPOESBNFOU-QGZVFWFLSA-N 2 0 363.462 0.869 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000568522849 491583226 /nfs/dbraw/zinc/58/32/26/491583226.db2.gz 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491847844 /nfs/dbraw/zinc/84/78/44/491847844.db2.gz SAYQZJUVEJZUNW-RDJZCZTQSA-N 2 0 368.522 0.402 10 0 FCAERP CC[NH+](CC)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000584007692 491856488 /nfs/dbraw/zinc/85/64/88/491856488.db2.gz IEOOOCBTRULAFQ-UHFFFAOYSA-N 2 0 363.462 0.197 10 0 FCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000584054038 491857451 /nfs/dbraw/zinc/85/74/51/491857451.db2.gz CLFBQYWQZNYRHE-PVAVHDDUSA-N 2 0 368.428 0.926 10 0 FCAERP COC(=O)CCN1CC[C@H]([NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1=O ZINC000600753911 491880524 /nfs/dbraw/zinc/88/05/24/491880524.db2.gz KSBBNAIERWYNFS-HOTGVXAUSA-N 2 0 353.463 0.241 10 0 FCAERP CSC1(CNS(=O)(=O)C[C@H]2CN(C)CCO2)CC[NH+](C)CC1 ZINC000601416445 491915735 /nfs/dbraw/zinc/91/57/35/491915735.db2.gz QIKIAYDFRQOIQQ-CYBMUJFWSA-N 2 0 351.538 0.064 10 0 FCAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000612485851 491925054 /nfs/dbraw/zinc/92/50/54/491925054.db2.gz NSEXZVBOEQLIPW-NVXWUHKLSA-N 2 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CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627456068 492303141 /nfs/dbraw/zinc/30/31/41/492303141.db2.gz YCKOAZMLDRGBOI-UHFFFAOYSA-N 2 0 368.522 0.581 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000627461059 492304485 /nfs/dbraw/zinc/30/44/85/492304485.db2.gz CZNUQHKDQBZSAR-ZWKOTPCHSA-N 2 0 374.485 0.072 10 0 FCAERP [NH3+]CCCOCCNC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000627485856 492319421 /nfs/dbraw/zinc/31/94/21/492319421.db2.gz MBJLDPRVGLWFRP-UHFFFAOYSA-N 2 0 354.495 0.193 10 0 FCAERP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000647597041 492332342 /nfs/dbraw/zinc/33/23/42/492332342.db2.gz FKXGFEGYGHWUHW-HOTGVXAUSA-N 3 0 367.538 0.295 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)ccc1F ZINC000642265425 492346521 /nfs/dbraw/zinc/34/65/21/492346521.db2.gz MYTIJEKUVIRTET-UHFFFAOYSA-N 2 0 350.438 0.843 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000634723349 492364258 /nfs/dbraw/zinc/36/42/58/492364258.db2.gz LHLCOSOQTKLDRQ-QGTPRVQTSA-N 2 0 355.429 0.993 10 0 FCAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000654907620 492376061 /nfs/dbraw/zinc/37/60/61/492376061.db2.gz OJPHNUPRFGHUEN-ZWKOTPCHSA-N 2 0 374.485 0.744 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H](C)C2)C1 ZINC000655004913 492390598 /nfs/dbraw/zinc/39/05/98/492390598.db2.gz AJRYDAXMSCOYBT-IXDOHACOSA-N 2 0 350.507 0.729 10 0 FCAERP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc2)CC1 ZINC000655297240 492428121 /nfs/dbraw/zinc/42/81/21/492428121.db2.gz HODZPYXRSYNKIN-RBUKOAKNSA-N 2 0 358.486 0.325 10 0 FCAERP [NH3+]CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)C1 ZINC000622004780 492439214 /nfs/dbraw/zinc/43/92/14/492439214.db2.gz UYJQLUUCKJSUFL-CZUORRHYSA-N 2 0 351.472 0.443 10 0 FCAERP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655959415 492498131 /nfs/dbraw/zinc/49/81/31/492498131.db2.gz PDZUDSKYWCOMCB-LBPRGKRZSA-N 2 0 362.352 0.701 10 0 FCAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649234640 492514181 /nfs/dbraw/zinc/51/41/81/492514181.db2.gz JWHNHSVLPNSQDS-HOCLYGCPSA-N 2 0 354.495 0.358 10 0 FCAERP C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656025004 492519901 /nfs/dbraw/zinc/51/99/01/492519901.db2.gz VEPNOYOWCDZNAV-SOUVJXGZSA-N 2 0 374.485 0.520 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023804 492519995 /nfs/dbraw/zinc/51/99/95/492519995.db2.gz FSHDHVCBUCJWGS-AYDFFVQHSA-N 2 0 354.495 0.234 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000656039881 492522412 /nfs/dbraw/zinc/52/24/12/492522412.db2.gz KCHNBKOVVMLURR-UICACZKSSA-N 2 0 362.449 0.535 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656068809 492530360 /nfs/dbraw/zinc/53/03/60/492530360.db2.gz GMOUWOYKVUMUPV-LVQVYYBASA-N 2 0 354.495 0.153 10 0 FCAERP C[NH+](C)[C@@H]1C[C@H](CNC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000656081657 492542069 /nfs/dbraw/zinc/54/20/69/492542069.db2.gz IEEMMZFDFGLSHP-OIISXLGYSA-N 2 0 350.507 0.633 10 0 FCAERP CC1(OCC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C[NH2+]C1 ZINC000649351131 492544181 /nfs/dbraw/zinc/54/41/81/492544181.db2.gz QKKQTMYXBAXFJL-UHFFFAOYSA-N 2 0 360.502 0.689 10 0 FCAERP CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000623616797 492574124 /nfs/dbraw/zinc/57/41/24/492574124.db2.gz DTKKQNHIEGLBCL-IBGZPJMESA-N 2 0 357.458 0.973 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC([C@@H](C)CO)CC2)C1 ZINC000649804799 492584120 /nfs/dbraw/zinc/58/41/20/492584120.db2.gz INQRQQZQPVWDMG-FUHWJXTLSA-N 2 0 355.523 0.800 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000656345639 492605403 /nfs/dbraw/zinc/60/54/03/492605403.db2.gz LKAXVCOZVHKCCH-IAGOWNOFSA-N 2 0 368.522 0.402 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1=O ZINC000650641837 492657417 /nfs/dbraw/zinc/65/74/17/492657417.db2.gz LYIRTPRYLFBUAW-QGZVFWFLSA-N 2 0 367.538 0.912 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1=O ZINC000650696891 492662349 /nfs/dbraw/zinc/66/23/49/492662349.db2.gz CUNFHWNBLSLHPH-UHFFFAOYSA-N 2 0 351.495 0.276 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000629788998 492672475 /nfs/dbraw/zinc/67/24/75/492672475.db2.gz WAOFZRMTUKUHSU-UHFFFAOYSA-N 2 0 368.522 0.405 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000629788923 492672864 /nfs/dbraw/zinc/67/28/64/492672864.db2.gz NLLGLTUTBVPCCH-UHFFFAOYSA-N 2 0 354.495 0.015 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000629792736 492673387 /nfs/dbraw/zinc/67/33/87/492673387.db2.gz ZSNPZRANSDIWIP-MRXNPFEDSA-N 2 0 354.495 0.158 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000629801867 492679125 /nfs/dbraw/zinc/67/91/25/492679125.db2.gz CPDBKCQBNFTZBV-DOTOQJQBSA-N 2 0 366.506 0.156 10 0 FCAERP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)C2)CC1 ZINC000629803919 492680296 /nfs/dbraw/zinc/68/02/96/492680296.db2.gz WGIOXJWACCWPDP-AHRSYUTCSA-N 2 0 362.518 0.635 10 0 FCAERP CC[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[C@H]1[NH3+] ZINC000629817572 492687444 /nfs/dbraw/zinc/68/74/44/492687444.db2.gz QNUIPJCXVZXROS-HZPDHXFCSA-N 2 0 366.506 0.286 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000657070898 492709233 /nfs/dbraw/zinc/70/92/33/492709233.db2.gz BHCSARQIIZBDSR-LSDHHAIUSA-N 2 0 373.523 0.395 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc2c(c1)nnn2C ZINC000657071175 492709525 /nfs/dbraw/zinc/70/95/25/492709525.db2.gz IEDCPHQTYWZGLB-ZDUSSCGKSA-N 2 0 368.507 0.519 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ncc2c(n1)CCOC2 ZINC000651206489 492722416 /nfs/dbraw/zinc/72/24/16/492722416.db2.gz QWQUOVSNONBULC-UHFFFAOYSA-N 2 0 350.467 0.184 10 0 FCAERP Cc1ccc([C@@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)N2CCOCC2)o1 ZINC000644514669 492780276 /nfs/dbraw/zinc/78/02/76/492780276.db2.gz ZLZGYNPIGKNXBE-QZTJIDSGSA-N 2 0 366.506 0.159 10 0 FCAERP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000625473073 492791814 /nfs/dbraw/zinc/79/18/14/492791814.db2.gz WVRZDJCUONLEDU-QGZVFWFLSA-N 2 0 350.507 0.920 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000625472299 492791996 /nfs/dbraw/zinc/79/19/96/492791996.db2.gz PPYUHJIULZIUGR-INIZCTEOSA-N 2 0 354.495 0.156 10 0 FCAERP CC(C)[C@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)N1CCOCC1 ZINC000645129561 492870509 /nfs/dbraw/zinc/87/05/09/492870509.db2.gz YVWZAVBAWDNUOB-CVEARBPZSA-N 2 0 369.510 0.105 10 0 FCAERP CC(C)[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)N1CCOCC1 ZINC000645129567 492870624 /nfs/dbraw/zinc/87/06/24/492870624.db2.gz YVWZAVBAWDNUOB-HZPDHXFCSA-N 2 0 369.510 0.105 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000631909668 492875594 /nfs/dbraw/zinc/87/55/94/492875594.db2.gz LLVYZVXMBMPSJI-IAGOWNOFSA-N 2 0 353.488 0.731 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625746773 492876881 /nfs/dbraw/zinc/87/68/81/492876881.db2.gz IXIHRMGQWPIKJZ-UHFFFAOYSA-N 2 0 354.495 0.110 10 0 FCAERP CC(C)(CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000631911898 492878078 /nfs/dbraw/zinc/87/80/78/492878078.db2.gz UEEDFHKFPWRHTA-KRWDZBQOSA-N 2 0 367.515 0.731 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631924430 492887138 /nfs/dbraw/zinc/88/71/38/492887138.db2.gz VAZQMDXIPANUOC-SJORKVTESA-N 2 0 353.488 0.511 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000632026653 492913457 /nfs/dbraw/zinc/91/34/57/492913457.db2.gz JVEPGKOCBQQEBC-IRXDYDNUSA-N 2 0 360.568 0.616 10 0 FCAERP C[C@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)[C@@H]1CC[NH3+] ZINC000652354533 492914550 /nfs/dbraw/zinc/91/45/50/492914550.db2.gz BIVXLUWICFFOQM-UONOGXRCSA-N 2 0 362.478 0.273 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000658541735 492938631 /nfs/dbraw/zinc/93/86/31/492938631.db2.gz PPROOYWIVTYSNO-UHFFFAOYSA-N 2 0 366.437 0.725 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000652625230 492972588 /nfs/dbraw/zinc/97/25/88/492972588.db2.gz ZUMRZCATXWQELF-OAHLLOKOSA-N 2 0 361.490 0.930 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000645835195 492981009 /nfs/dbraw/zinc/98/10/09/492981009.db2.gz KLTXLWHFGVPEGL-AWEZNQCLSA-N 2 0 368.503 0.489 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000652666369 492982093 /nfs/dbraw/zinc/98/20/93/492982093.db2.gz FKSFXECDJCCMNC-HUUCEWRRSA-N 2 0 354.495 0.189 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000658632553 492987088 /nfs/dbraw/zinc/98/70/88/492987088.db2.gz AXZNPGGYLBYRBA-SFHVURJKSA-N 2 0 358.486 0.739 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652684650 492989903 /nfs/dbraw/zinc/98/99/03/492989903.db2.gz UCQXGRKXIQTGHB-RDJZCZTQSA-N 2 0 358.486 0.868 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)c1cccc(F)c1 ZINC000652713522 492998479 /nfs/dbraw/zinc/99/84/79/492998479.db2.gz QQOBMYGQVGICPV-OAHLLOKOSA-N 2 0 350.438 0.790 10 0 FCAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626809094 493023791 /nfs/dbraw/zinc/02/37/91/493023791.db2.gz BYDYGUMUVMMNEP-LRDDRELGSA-N 2 0 358.442 0.706 10 0 FCAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626817966 493025785 /nfs/dbraw/zinc/02/57/85/493025785.db2.gz WLTJGEDAUMJPDL-XJKSGUPXSA-N 2 0 360.458 0.906 10 0 FCAERP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1=O ZINC000646239877 493032664 /nfs/dbraw/zinc/03/26/64/493032664.db2.gz LYBNAPVGWQGPID-HRCADAONSA-N 2 0 354.495 0.012 10 0 FCAERP [NH3+]CC1(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCOCC1 ZINC000626883769 493050312 /nfs/dbraw/zinc/05/03/12/493050312.db2.gz GKYAONQSUBNZGH-UHFFFAOYSA-N 2 0 374.485 0.888 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626890415 493052479 /nfs/dbraw/zinc/05/24/79/493052479.db2.gz LSFGJRKRMREXLA-KBPBESRZSA-N 2 0 362.478 0.735 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626938516 493067246 /nfs/dbraw/zinc/06/72/46/493067246.db2.gz GONOSTRWSYZLMO-KRWDZBQOSA-N 2 0 356.511 0.755 10 0 FCAERP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653114626 493073074 /nfs/dbraw/zinc/07/30/74/493073074.db2.gz POKSWLXWKNBKMV-DWRORGKVSA-N 2 0 350.507 0.239 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000658826698 493074307 /nfs/dbraw/zinc/07/43/07/493074307.db2.gz RKODSVDHKVWIOB-IRXDYDNUSA-N 2 0 350.507 0.873 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646639176 493076283 /nfs/dbraw/zinc/07/62/83/493076283.db2.gz HELIMJYOSOCSAO-IAGOWNOFSA-N 2 0 350.507 0.921 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000627034205 493083392 /nfs/dbraw/zinc/08/33/92/493083392.db2.gz DKZCYLUVAILVKY-GWONACJQSA-N 2 0 351.495 0.510 10 0 FCAERP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627153915 493097053 /nfs/dbraw/zinc/09/70/53/493097053.db2.gz POUOZCFKTMHONK-IRXDYDNUSA-N 2 0 367.538 0.694 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627163797 493098700 /nfs/dbraw/zinc/09/87/00/493098700.db2.gz XOJQZWTTYBTATI-INIZCTEOSA-N 3 0 355.527 0.552 10 0 FCAERP C[NH2+]CCOCCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000627175128 493101170 /nfs/dbraw/zinc/10/11/70/493101170.db2.gz WSOBZXPJSNHTQZ-UHFFFAOYSA-N 2 0 356.511 0.756 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)cn2)CC1 ZINC000633004355 493101787 /nfs/dbraw/zinc/10/17/87/493101787.db2.gz DZDSZNQZOFMKMF-AWEZNQCLSA-N 2 0 362.478 0.676 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cn2)CC1 ZINC000633002807 493101840 /nfs/dbraw/zinc/10/18/40/493101840.db2.gz LURTWCPGXWJNTD-XJKSGUPXSA-N 2 0 360.462 0.299 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cn2)CC1 ZINC000633003429 493102004 /nfs/dbraw/zinc/10/20/04/493102004.db2.gz SFVBPBIFASVQDU-KGLIPLIRSA-N 2 0 360.462 0.441 10 0 FCAERP Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)ccc1OCC[NH+](C)C ZINC000633021645 493104518 /nfs/dbraw/zinc/10/45/18/493104518.db2.gz HGEUGQQZKHWROK-HUUCEWRRSA-N 2 0 362.474 0.927 10 0 FCAERP Cc1cn2ccc(NC(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)cc2n1 ZINC000658902567 493107338 /nfs/dbraw/zinc/10/73/38/493107338.db2.gz BVDRBXPGTMFGNY-MRXNPFEDSA-N 2 0 371.441 0.639 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000633077887 493116642 /nfs/dbraw/zinc/11/66/42/493116642.db2.gz FTTVMIQCADUXHA-NXHRZFHOSA-N 2 0 358.486 0.773 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000633118159 493133443 /nfs/dbraw/zinc/13/34/43/493133443.db2.gz NPNHCINSPWGJIX-ARFHVFGLSA-N 2 0 350.507 0.905 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[NH2+]1 ZINC000627296985 493139273 /nfs/dbraw/zinc/13/92/73/493139273.db2.gz YYJLEEAYOWWZML-JLSDUUJJSA-N 2 0 374.485 0.126 10 0 FCAERP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659073213 493139685 /nfs/dbraw/zinc/13/96/85/493139685.db2.gz LZBBSSBVKZFKQV-INIZCTEOSA-N 2 0 364.446 0.028 10 0 FCAERP CN(C(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659072121 493139870 /nfs/dbraw/zinc/13/98/70/493139870.db2.gz CUVBYLTYYSPAPF-ZWKOTPCHSA-N 2 0 372.469 0.981 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297367 493140419 /nfs/dbraw/zinc/14/04/19/493140419.db2.gz IKCOWWDBAJJMQR-JKSUJKDBSA-N 2 0 368.522 0.450 10 0 FCAERP C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[N@H+](C)C1CC1 ZINC000659078386 493142034 /nfs/dbraw/zinc/14/20/34/493142034.db2.gz IDRJPSSHYABGGE-DYVFJYSZSA-N 2 0 360.458 0.885 10 0 FCAERP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659077488 493142203 /nfs/dbraw/zinc/14/22/03/493142203.db2.gz DRNRNLZZHLXYKT-RHSMWYFYSA-N 2 0 360.458 0.696 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659079285 493143005 /nfs/dbraw/zinc/14/30/05/493143005.db2.gz MMDJWQBYZDHVOQ-SJORKVTESA-N 2 0 360.458 0.887 10 0 FCAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627311784 493145465 /nfs/dbraw/zinc/14/54/65/493145465.db2.gz HLNQEGQYHDHOHC-GJZGRUSLSA-N 2 0 356.511 0.341 10 0 FCAERP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)C2)C1 ZINC000659084456 493145956 /nfs/dbraw/zinc/14/59/56/493145956.db2.gz ZLBHLZOKYZVYCO-YLJYHZDGSA-N 2 0 372.469 0.840 10 0 FCAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627311667 493145961 /nfs/dbraw/zinc/14/59/61/493145961.db2.gz FAEJBVOLGNBUIZ-DOTOQJQBSA-N 2 0 374.485 0.562 10 0 FCAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627312423 493146771 /nfs/dbraw/zinc/14/67/71/493146771.db2.gz YILMOWHTFFQYLN-FZKCQIBNSA-N 2 0 350.507 0.870 10 0 FCAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627312086 493146891 /nfs/dbraw/zinc/14/68/91/493146891.db2.gz OZWBQWFKTOMMSM-GJZGRUSLSA-N 2 0 368.522 0.483 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)[C@H](C)C1 ZINC000627313357 493147344 /nfs/dbraw/zinc/14/73/44/493147344.db2.gz CBEROZHPULUMGX-TWMKSMIVSA-N 2 0 368.522 0.496 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000627314311 493147440 /nfs/dbraw/zinc/14/74/40/493147440.db2.gz ZMRLHWGQYIFYNI-QKPAOTATSA-N 2 0 354.495 0.106 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000627319731 493149925 /nfs/dbraw/zinc/14/99/25/493149925.db2.gz FMWQSVVKLGLEBQ-MAUKXSAKSA-N 2 0 358.486 0.881 10 0 FCAERP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000647085747 493160398 /nfs/dbraw/zinc/16/03/98/493160398.db2.gz VFMAUQPKUIYXJB-ABHNRTSZSA-N 2 0 360.506 0.754 10 0 FCAERP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000659114666 493161218 /nfs/dbraw/zinc/16/12/18/493161218.db2.gz QEMREGVSHAUHSQ-KRWDZBQOSA-N 2 0 362.474 0.914 10 0 FCAERP C[NH+](C)CCn1cc(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000633617298 493172103 /nfs/dbraw/zinc/17/21/03/493172103.db2.gz NKUJPDZNLOGNNL-IBGZPJMESA-N 2 0 371.485 0.941 10 0 FCAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627357540 493175092 /nfs/dbraw/zinc/17/50/92/493175092.db2.gz IUOOBKXCRSBKEX-GJZGRUSLSA-N 2 0 354.495 0.095 10 0 FCAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647191990 493176189 /nfs/dbraw/zinc/17/61/89/493176189.db2.gz LDQKBLSJUHOUKB-UHFFFAOYSA-N 2 0 359.467 0.798 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627367161 493181820 /nfs/dbraw/zinc/18/18/20/493181820.db2.gz LWPWNCZBUHATEZ-KDURUIRLSA-N 2 0 366.506 0.062 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000659457504 493183201 /nfs/dbraw/zinc/18/32/01/493183201.db2.gz FXVUMTZNIFVHDJ-KRWDZBQOSA-N 2 0 365.522 0.761 10 0 FCAERP C[N@@H+]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H]1c1ccccc1 ZINC000659472861 493187955 /nfs/dbraw/zinc/18/79/55/493187955.db2.gz DBYJZFMSOOJCJW-PBHICJAKSA-N 2 0 356.430 0.886 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[NH2+]1 ZINC000627385680 493193572 /nfs/dbraw/zinc/19/35/72/493193572.db2.gz RXBOWEIIODROLK-CABCVRRESA-N 2 0 368.547 0.721 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627392914 493200656 /nfs/dbraw/zinc/20/06/56/493200656.db2.gz JHUOMDIHWMUANC-UONOGXRCSA-N 2 0 354.495 0.249 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[NH2+]1 ZINC000627394025 493200692 /nfs/dbraw/zinc/20/06/92/493200692.db2.gz UKVIWDOMSPFHBX-CZUORRHYSA-N 2 0 350.438 0.630 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627395243 493201142 /nfs/dbraw/zinc/20/11/42/493201142.db2.gz DWALKFYDWDSWIY-FRRDWIJNSA-N 2 0 366.428 0.819 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627395244 493201537 /nfs/dbraw/zinc/20/15/37/493201537.db2.gz DWALKFYDWDSWIY-JHJVBQTASA-N 2 0 366.428 0.819 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)C(=O)NC1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000627407257 493205784 /nfs/dbraw/zinc/20/57/84/493205784.db2.gz LWDQFLUXWOEHKA-ZDUSSCGKSA-N 2 0 359.257 0.800 10 0 FCAERP COCC1(CNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[NH2+]CC1 ZINC000659539776 493209215 /nfs/dbraw/zinc/20/92/15/493209215.db2.gz LSCSAVGCPHDZDF-MRXNPFEDSA-N 2 0 356.511 0.755 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000659627183 493223013 /nfs/dbraw/zinc/22/30/13/493223013.db2.gz RBTBKLZYVBPAPF-KXBFYZLASA-N 2 0 365.522 0.747 10 0 FCAERP O=C(NC[C@H]1CCCC[N@H+]1CCO)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666977719 493244387 /nfs/dbraw/zinc/24/43/87/493244387.db2.gz HLHDURCCLKBZMA-SJORKVTESA-N 2 0 354.495 0.386 10 0 FCAERP O=C(NC[C@H]1CCCC[N@H+]1CCO)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666977717 493244440 /nfs/dbraw/zinc/24/44/40/493244440.db2.gz HLHDURCCLKBZMA-IAGOWNOFSA-N 2 0 354.495 0.386 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC[C@H]1F ZINC000659675820 493245062 /nfs/dbraw/zinc/24/50/62/493245062.db2.gz YKOWWSUNQVLBGT-MGPQQGTHSA-N 2 0 368.478 0.899 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)Cc1ccccc1 ZINC000659675809 493245646 /nfs/dbraw/zinc/24/56/46/493245646.db2.gz YDOJDYQZAGIULR-BZUAXINKSA-N 2 0 350.438 0.173 10 0 FCAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659676072 493246724 /nfs/dbraw/zinc/24/67/24/493246724.db2.gz VUHJEZATDGTQQA-RBSFLKMASA-N 2 0 356.486 0.901 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659685609 493252580 /nfs/dbraw/zinc/25/25/80/493252580.db2.gz SHHOUMKFCDOXPZ-MRXNPFEDSA-N 2 0 356.511 0.482 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000659691017 493256011 /nfs/dbraw/zinc/25/60/11/493256011.db2.gz ZIOJAKBGPXPJJF-UHFFFAOYSA-N 2 0 357.458 0.030 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000659695863 493258726 /nfs/dbraw/zinc/25/87/26/493258726.db2.gz FYONZIXFEHYBND-QGZVFWFLSA-N 2 0 360.502 0.691 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)Cc2ccccc2C1 ZINC000659696712 493258955 /nfs/dbraw/zinc/25/89/55/493258955.db2.gz PEEZVENANDLPJO-UHFFFAOYSA-N 2 0 356.470 0.070 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659701250 493261576 /nfs/dbraw/zinc/26/15/76/493261576.db2.gz ZPTWTYCRMKBKDS-UVYBKSOCSA-N 2 0 356.470 0.491 10 0 FCAERP C[C@H]1C[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000659706158 493264507 /nfs/dbraw/zinc/26/45/07/493264507.db2.gz FDZNGSHNVSUWPS-ABKMUHTPSA-N 2 0 356.470 0.634 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000659723984 493272728 /nfs/dbraw/zinc/27/27/28/493272728.db2.gz UXTGJEYLMXZGGV-GOSISDBHSA-N 2 0 374.485 0.475 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000659725977 493273478 /nfs/dbraw/zinc/27/34/78/493273478.db2.gz FXMHWTSBSWVXDX-BHYGNILZSA-N 2 0 350.507 0.681 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000682222124 493280054 /nfs/dbraw/zinc/28/00/54/493280054.db2.gz DIHLLOLKDAJDST-UHFFFAOYSA-N 3 0 373.461 0.158 10 0 FCAERP CCN(C(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659739832 493280547 /nfs/dbraw/zinc/28/05/47/493280547.db2.gz IHXOKXVZADRTKE-WBTXTPOCSA-N 2 0 370.497 0.978 10 0 FCAERP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659744214 493282769 /nfs/dbraw/zinc/28/27/69/493282769.db2.gz RZHNZJVZAXMQIS-UHFFFAOYSA-N 2 0 370.497 0.898 10 0 FCAERP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659744577 493282838 /nfs/dbraw/zinc/28/28/38/493282838.db2.gz XIZMNUWBBJOYSN-UHFFFAOYSA-N 2 0 370.497 0.978 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000659747492 493283695 /nfs/dbraw/zinc/28/36/95/493283695.db2.gz YOGGAMUALOZOTK-MRXNPFEDSA-N 2 0 354.495 0.047 10 0 FCAERP CO[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCOC1 ZINC000667680613 493295963 /nfs/dbraw/zinc/29/59/63/493295963.db2.gz LYMIIGMGCSKWCL-WMZOPIPTSA-N 2 0 362.474 0.761 10 0 FCAERP Cn1ccnc1COCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000667680347 493296066 /nfs/dbraw/zinc/29/60/66/493296066.db2.gz DQMPMUGJHURHSV-UHFFFAOYSA-N 2 0 372.473 0.660 10 0 FCAERP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668625374 493386386 /nfs/dbraw/zinc/38/63/86/493386386.db2.gz ORSWVZYBTHELFU-CVEARBPZSA-N 2 0 356.511 0.402 10 0 FCAERP CCN(C(=O)C(=O)NC[C@@H]1CCC[NH+]1CCOC)[C@@H]1CC[N@H+](CC)C1 ZINC000668787040 493410366 /nfs/dbraw/zinc/41/03/66/493410366.db2.gz MPHXJMWRAAYLJD-JKSUJKDBSA-N 2 0 354.495 0.156 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000668786866 493410506 /nfs/dbraw/zinc/41/05/06/493410506.db2.gz JFUPNCIDEXUDCF-CABCVRRESA-N 2 0 354.495 0.202 10 0 FCAERP c1cn(C[C@H]2CC[NH+](CCOCC[N@@H+]3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661145831 493411858 /nfs/dbraw/zinc/41/18/58/493411858.db2.gz OQMIEHYVLNWCCF-ROUUACIJSA-N 2 0 374.493 0.230 10 0 FCAERP c1cn(C[C@@H]2CC[NH+](CCOCC[N@@H+]3CC[C@@H](Cn4ccnn4)C3)C2)nn1 ZINC000661145830 493412109 /nfs/dbraw/zinc/41/21/09/493412109.db2.gz OQMIEHYVLNWCCF-QZTJIDSGSA-N 2 0 374.493 0.230 10 0 FCAERP c1cn(C[C@@H]2CC[N@@H+](CCCC[NH+]3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661146498 493412493 /nfs/dbraw/zinc/41/24/93/493412493.db2.gz UCLKNZIQXATEOJ-HDICACEKSA-N 2 0 358.494 0.994 10 0 FCAERP COC[C@@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CCOCC1 ZINC000661159091 493414074 /nfs/dbraw/zinc/41/40/74/493414074.db2.gz DPZFGXGQZFRALB-ZWKOTPCHSA-N 2 0 371.522 0.491 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000668830505 493417500 /nfs/dbraw/zinc/41/75/00/493417500.db2.gz DNTKDFICKDXLCR-KRWDZBQOSA-N 2 0 368.522 0.546 10 0 FCAERP CCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668852988 493422479 /nfs/dbraw/zinc/42/24/79/493422479.db2.gz MSOBMIRUZWFXHF-OAHLLOKOSA-N 2 0 368.522 0.545 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC000668892705 493430615 /nfs/dbraw/zinc/43/06/15/493430615.db2.gz JILMXKIYBAFRLP-OAGGEKHMSA-N 2 0 354.495 0.155 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000685322845 493475226 /nfs/dbraw/zinc/47/52/26/493475226.db2.gz ANVMNFXUNDQZDT-MRXNPFEDSA-N 2 0 370.538 0.650 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000669289350 493490327 /nfs/dbraw/zinc/49/03/27/493490327.db2.gz ZWZAALQTMHLDSW-KRWDZBQOSA-N 2 0 368.522 0.545 10 0 FCAERP C[C@@H]1C[NH+](CCCNC(=O)c2cnnn2C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000662368559 493510607 /nfs/dbraw/zinc/51/06/07/493510607.db2.gz VSMSQVGQTJPPBC-ZIAGYGMSSA-N 2 0 350.467 0.432 10 0 FCAERP [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3nc(N4CC[NH2+]CC4)n[nH]3)cc21 ZINC000662426611 493514465 /nfs/dbraw/zinc/51/44/65/493514465.db2.gz WRPIONPHPQEEBY-AWEZNQCLSA-N 2 0 355.446 0.845 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662488006 493520658 /nfs/dbraw/zinc/52/06/58/493520658.db2.gz WXUPKGKRYIXNAT-MRXNPFEDSA-N 2 0 364.494 0.776 10 0 FCAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000676089697 493522897 /nfs/dbraw/zinc/52/28/97/493522897.db2.gz MQCJDWZCBXABEC-CZUORRHYSA-N 2 0 354.414 0.949 10 0 FCAERP O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096063 493524117 /nfs/dbraw/zinc/52/41/17/493524117.db2.gz QUFWKDKAMRYWTF-UHFFFAOYSA-N 2 0 351.370 0.251 10 0 FCAERP C[C@@H]1C[N@@H+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000662670459 493530512 /nfs/dbraw/zinc/53/05/12/493530512.db2.gz FSFAPYDNLSLTFO-OWCLPIDISA-N 2 0 364.494 0.822 10 0 FCAERP C[C@@H]1C[NH+](CCCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@@H](C)O1 ZINC000662670458 493530827 /nfs/dbraw/zinc/53/08/27/493530827.db2.gz FSFAPYDNLSLTFO-OAGGEKHMSA-N 2 0 364.494 0.822 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662711693 493533751 /nfs/dbraw/zinc/53/37/51/493533751.db2.gz MPJYDLNDKMAJIR-GJZGRUSLSA-N 2 0 350.467 0.433 10 0 FCAERP CC[NH+]1CCN(CCCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662757769 493539532 /nfs/dbraw/zinc/53/95/32/493539532.db2.gz NGHSJJXDXCBHLH-MRXNPFEDSA-N 2 0 363.510 0.350 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662788600 493541933 /nfs/dbraw/zinc/54/19/33/493541933.db2.gz MTXSWMAHXQOAEO-JKSUJKDBSA-N 2 0 364.494 0.776 10 0 FCAERP [NH3+]CCCCn1cc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nn1 ZINC000662857914 493547207 /nfs/dbraw/zinc/54/72/07/493547207.db2.gz CUWPOMGXROMSHB-QGZVFWFLSA-N 2 0 372.473 0.514 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662857274 493547603 /nfs/dbraw/zinc/54/76/03/493547603.db2.gz JSPJZLKZXIAXGV-HNNXBMFYSA-N 2 0 351.499 0.206 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC[C@H]1F ZINC000662920956 493553567 /nfs/dbraw/zinc/55/35/67/493553567.db2.gz BVHCFYUZCZVALO-IAGOWNOFSA-N 2 0 362.449 0.619 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[C@H]1F ZINC000662929659 493555133 /nfs/dbraw/zinc/55/51/33/493555133.db2.gz DEQBEUWRRWKIFQ-GVDBMIGSSA-N 2 0 368.497 0.999 10 0 FCAERP O=C(C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000662930618 493555316 /nfs/dbraw/zinc/55/53/16/493555316.db2.gz SPUJDXGULVSIGX-ROUUACIJSA-N 2 0 362.518 0.921 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000662938062 493556770 /nfs/dbraw/zinc/55/67/70/493556770.db2.gz BPAQGNBWJPAZSX-UHFFFAOYSA-N 2 0 364.490 0.040 10 0 FCAERP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000662948154 493559388 /nfs/dbraw/zinc/55/93/88/493559388.db2.gz GINVIWHCHVPARQ-ZBFHGGJFSA-N 2 0 354.495 0.141 10 0 FCAERP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016650 493566490 /nfs/dbraw/zinc/56/64/90/493566490.db2.gz HKMDKXYEPFYPAE-GUXCAODWSA-N 2 0 372.517 0.915 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)NCc1nnc2n1CCCCC2 ZINC000663470353 493590935 /nfs/dbraw/zinc/59/09/35/493590935.db2.gz GUCMZPABBRRDMA-UHFFFAOYSA-N 2 0 351.499 0.687 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663655049 493610135 /nfs/dbraw/zinc/61/01/35/493610135.db2.gz QUMUPSHQWRFXAA-QGZVFWFLSA-N 2 0 354.495 0.339 10 0 FCAERP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000670958537 493612429 /nfs/dbraw/zinc/61/24/29/493612429.db2.gz GMJFEVCJUKTJBB-KRWDZBQOSA-N 2 0 359.474 0.373 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671106894 493635479 /nfs/dbraw/zinc/63/54/79/493635479.db2.gz DXVXHQMCISVJKG-BACDZXNISA-N 2 0 350.507 0.966 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671106051 493635761 /nfs/dbraw/zinc/63/57/61/493635761.db2.gz XPZGAFFARULFQO-DLBZAZTESA-N 2 0 350.507 0.968 10 0 FCAERP CCN(C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000664176774 493641837 /nfs/dbraw/zinc/64/18/37/493641837.db2.gz WZRKRCLKQXTWNA-HZPDHXFCSA-N 2 0 353.511 0.700 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)cn1 ZINC000679514443 493685906 /nfs/dbraw/zinc/68/59/06/493685906.db2.gz IEZOLZCGWNFDKU-UHFFFAOYSA-N 2 0 350.467 0.231 10 0 FCAERP COC[C@@H](CCC[NH3+])[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236394 493706152 /nfs/dbraw/zinc/70/61/52/493706152.db2.gz LWFOYHCQIHSBSZ-GFCCVEGCSA-N 2 0 359.268 0.917 10 0 FCAERP O=C(NCCCN1CCN(c2ncccn2)CC1)[C@@H]1CCc2nc[nH]c2C1 ZINC000665934527 493745367 /nfs/dbraw/zinc/74/53/67/493745367.db2.gz NVUWYNBSMLKITA-OAHLLOKOSA-N 2 0 369.473 0.633 10 0 FCAERP Cn1ccnc1CN(C(=O)C[C@H]1CSCC[NH2+]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262072953 527428683 /nfs/dbraw/zinc/42/86/83/527428683.db2.gz CRHRETCQXDFKCJ-LSDHHAIUSA-N 2 0 363.531 0.986 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000187997711 528017022 /nfs/dbraw/zinc/01/70/22/528017022.db2.gz ZJEORZJQYMCJPN-LMMKCTJWSA-N 2 0 355.523 0.942 10 0 FCAERP CC1(CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC000420123095 535123637 /nfs/dbraw/zinc/12/36/37/535123637.db2.gz OJRXJHRRFQEQSL-UHFFFAOYSA-N 2 0 350.507 0.827 10 0 FCAERP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000453823733 536034885 /nfs/dbraw/zinc/03/48/85/536034885.db2.gz SEMLTMTWXXVJIM-QGZVFWFLSA-N 2 0 362.474 0.650 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419904682 536355253 /nfs/dbraw/zinc/35/52/53/536355253.db2.gz XWDODXYIYYQQNC-GVDBMIGSSA-N 2 0 365.522 0.001 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000419755712 536747369 /nfs/dbraw/zinc/74/73/69/536747369.db2.gz REOLCXSCMYNHQJ-GASCZTMLSA-N 2 0 366.506 0.345 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000592339533 546633575 /nfs/dbraw/zinc/63/35/75/546633575.db2.gz LOBNBVCYADRFLT-IMJJTQAJSA-N 2 0 351.422 0.916 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000553278121 547266264 /nfs/dbraw/zinc/26/62/64/547266264.db2.gz HZXMTTRFAYJMON-MRXNPFEDSA-N 2 0 354.495 0.202 10 0 FCAERP C[C@H](C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)CN1CC[NH+](C)CC1 ZINC000091320674 547270065 /nfs/dbraw/zinc/27/00/65/547270065.db2.gz QBVMFWQQFIPIDQ-HUUCEWRRSA-N 2 0 354.520 0.868 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C[NH+](C)C ZINC000929105937 665718124 /nfs/dbraw/zinc/71/81/24/665718124.db2.gz PRWFFJVQRVMQJZ-AWEZNQCLSA-N 2 0 356.511 0.495 10 0 FCAERP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903759795 665983245 /nfs/dbraw/zinc/98/32/45/665983245.db2.gz QKITUYFLKXMHAN-LOWDOPEQSA-N 2 0 362.396 0.277 10 0 FCAERP CCO[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C[NH+](C)C ZINC000926842183 664136444 /nfs/dbraw/zinc/13/64/44/664136444.db2.gz BSYZBSAPYAZUSK-DLBZAZTESA-N 2 0 356.511 0.707 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)COC(=O)COC2CC[NH+](C)CC2)CC1 ZINC000923790509 664204227 /nfs/dbraw/zinc/20/42/27/664204227.db2.gz WZLFDTQSMLXZPB-UHFFFAOYSA-N 2 0 355.479 0.629 10 0 FCAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368800 664410613 /nfs/dbraw/zinc/41/06/13/664410613.db2.gz YYEISSIADNUVGO-DLBZAZTESA-N 2 0 350.507 0.921 10 0 FCAERP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000937302248 664908481 /nfs/dbraw/zinc/90/84/81/664908481.db2.gz GLZUKDVPPLEZTM-DRRXZNNHSA-N 2 0 350.507 0.725 10 0 FCAERP COC(=O)[C@@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1S(C)(=O)=O ZINC000895511003 665048067 /nfs/dbraw/zinc/04/80/67/665048067.db2.gz XLIPYQUGFRUJSH-DOTOQJQBSA-N 2 0 367.471 0.616 10 0 FCAERP CCN1CC[NH+](C[C@H](C)CNC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896898982 665128578 /nfs/dbraw/zinc/12/85/78/665128578.db2.gz WZHHCBWLRGYQAB-MRXNPFEDSA-N 2 0 352.523 0.487 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925166253 665176451 /nfs/dbraw/zinc/17/64/51/665176451.db2.gz ZXWXEEYPFKIQIA-HRCADAONSA-N 2 0 356.536 0.712 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000906488032 666054412 /nfs/dbraw/zinc/05/44/12/666054412.db2.gz KEAHWTLLWCYCMR-SFHVURJKSA-N 3 0 353.555 0.354 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000940512826 666553817 /nfs/dbraw/zinc/55/38/17/666553817.db2.gz LLYKLTUONSFXMU-GVDBMIGSSA-N 2 0 350.507 0.872 10 0 FCAERP O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000913992345 666679185 /nfs/dbraw/zinc/67/91/85/666679185.db2.gz WQSOAXLDVAOKPD-ROUUACIJSA-N 2 0 371.547 0.989 10 0 FCAERP CN1CC[NH+](CCCCNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000919500271 667180796 /nfs/dbraw/zinc/18/07/96/667180796.db2.gz ARSQFLSSZUPAQG-IRXDYDNUSA-N 2 0 369.579 0.893 10 0 FCAERP CN1CC[NH+](CCCCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000919500272 667180868 /nfs/dbraw/zinc/18/08/68/667180868.db2.gz ARSQFLSSZUPAQG-SJORKVTESA-N 2 0 369.579 0.893 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1)C[NH+](C)C ZINC000929294102 667639965 /nfs/dbraw/zinc/63/99/65/667639965.db2.gz TVVABEDVKHJELS-INIZCTEOSA-N 2 0 356.511 0.306 10 0 FCAERP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)CCC1 ZINC000923369777 667828337 /nfs/dbraw/zinc/82/83/37/667828337.db2.gz MSUYWLPWACDKPU-ZIAGYGMSSA-N 2 0 361.552 0.966 10 0 FCAERP O[C@H](COC[C@H]1CCCO1)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923430569 667834797 /nfs/dbraw/zinc/83/47/97/667834797.db2.gz HAIKQPPGGWIYHL-ZSYWTGECSA-N 2 0 353.507 0.444 10 0 FCAERP O[C@@H](COC[C@@H]1CCCO1)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923430567 667834836 /nfs/dbraw/zinc/83/48/36/667834836.db2.gz HAIKQPPGGWIYHL-HCXYKTFWSA-N 2 0 353.507 0.444 10 0 FCAERP CNS(=O)(=O)c1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923447079 667836312 /nfs/dbraw/zinc/83/63/12/667836312.db2.gz PVJLXHZNDYXMAI-HNNXBMFYSA-N 2 0 353.488 0.925 10 0 FCAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC2 ZINC000923453138 667837338 /nfs/dbraw/zinc/83/73/38/667837338.db2.gz KHKXROHJFFEWOM-SNVBAGLBSA-N 2 0 352.357 0.204 10 0 FCAERP Cn1cc(S(=O)(=O)NCC[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)cn1 ZINC000923504553 667842118 /nfs/dbraw/zinc/84/21/18/667842118.db2.gz AECVWJSFDKRZNB-OAHLLOKOSA-N 2 0 369.535 0.800 10 0 FCAERP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000781913350 668539337 /nfs/dbraw/zinc/53/93/37/668539337.db2.gz POYNUMBVIHJICA-YOEHRIQHSA-N 2 0 370.519 0.317 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000819038732 668972669 /nfs/dbraw/zinc/97/26/69/668972669.db2.gz KABSNCMGMKKDGP-HZPDHXFCSA-N 2 0 356.511 0.584 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000819222856 668989683 /nfs/dbraw/zinc/98/96/83/668989683.db2.gz AWIAAVHXJDXAMR-OAHLLOKOSA-N 2 0 356.511 0.632 10 0 FCAERP COC(=O)c1ccoc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000867124356 670001556 /nfs/dbraw/zinc/00/15/56/670001556.db2.gz LRGGFNJVSKTBPQ-UHFFFAOYSA-N 2 0 373.475 0.713 10 0 FCAERP C[C@H]1C[C@H]([NH2+]CC(=O)N2CCN(C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398862 670813261 /nfs/dbraw/zinc/81/32/61/670813261.db2.gz IMSFZMOXHBTWTB-GJZGRUSLSA-N 2 0 354.495 0.996 10 0 FCAERP CN(C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CCSC1 ZINC000867335317 670869560 /nfs/dbraw/zinc/86/95/60/670869560.db2.gz NZJPWQFNLRPTOI-KFWWJZLASA-N 2 0 356.536 0.148 10 0 FCAERP CC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867374736 670955065 /nfs/dbraw/zinc/95/50/65/670955065.db2.gz LVQUOQOVDFRLBY-GVDBMIGSSA-N 2 0 352.523 0.833 10 0 FCAERP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000867392694 671032706 /nfs/dbraw/zinc/03/27/06/671032706.db2.gz ROGPUORVOGIJRN-DLBZAZTESA-N 2 0 350.507 0.729 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCO1 ZINC000853683876 671554171 /nfs/dbraw/zinc/55/41/71/671554171.db2.gz XPDOVWYVTCPATE-BRWVUGGUSA-N 2 0 354.495 0.602 10 0 FCAERP Cn1cnc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1Cl ZINC000903560970 675944477 /nfs/dbraw/zinc/94/44/77/675944477.db2.gz AIAQJHXWLSHOBA-BETUJISGSA-N 2 0 373.910 0.663 10 0 FCAERP Cn1c(Cl)ncc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562634 675945257 /nfs/dbraw/zinc/94/52/57/675945257.db2.gz RHCRTSKXJYBKOD-BETUJISGSA-N 2 0 373.910 0.663 10 0 FCAERP C[C@H]1C[C@@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC[NH2+]1 ZINC000861642929 671977259 /nfs/dbraw/zinc/97/72/59/671977259.db2.gz LCEFBWPTUPNXSJ-VIRABCJISA-N 2 0 351.451 0.094 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@H]1CC[NH3+] ZINC000903719930 675963511 /nfs/dbraw/zinc/96/35/11/675963511.db2.gz AFAMSWCKZJYQDR-NVXWUHKLSA-N 2 0 350.507 0.764 10 0 FCAERP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903757237 675968723 /nfs/dbraw/zinc/96/87/23/675968723.db2.gz WKMWBHMPLRZLLJ-QWHCGFSZSA-N 2 0 366.428 0.915 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903732096 675964959 /nfs/dbraw/zinc/96/49/59/675964959.db2.gz OTMXVQRTGSMJAF-RYUDHWBXSA-N 2 0 350.385 0.279 10 0 FCAERP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903754835 675968043 /nfs/dbraw/zinc/96/80/43/675968043.db2.gz RVKWCYFBMSVDFN-RYUDHWBXSA-N 2 0 352.401 0.525 10 0 FCAERP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903772018 675971504 /nfs/dbraw/zinc/97/15/04/675971504.db2.gz SFMCLCRJOOBGQQ-VXGBXAGGSA-N 2 0 364.412 0.667 10 0 FCAERP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000903786026 675973366 /nfs/dbraw/zinc/97/33/66/675973366.db2.gz UMNMFZJWDKTJOG-IRXDYDNUSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549713 672135886 /nfs/dbraw/zinc/13/58/86/672135886.db2.gz PLCHEUGRMFYRBA-IMJJTQAJSA-N 2 0 350.463 0.644 10 0 FCAERP Cn1ncc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C(F)(F)F ZINC000866729422 672293662 /nfs/dbraw/zinc/29/36/62/672293662.db2.gz CECMWFBPZICHTC-UHFFFAOYSA-N 2 0 371.429 0.553 10 0 FCAERP C[C@@H]1SCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H]1C ZINC000867491671 672325166 /nfs/dbraw/zinc/32/51/66/672325166.db2.gz SSRMZOLUFPTFKK-CAOSSQGBSA-N 2 0 370.563 0.537 10 0 FCAERP C[C@@H]1CC[C@H](C)CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867542717 672334714 /nfs/dbraw/zinc/33/47/14/672334714.db2.gz NIKSIWWQBIIJQK-YLFCFFPRSA-N 2 0 352.523 0.831 10 0 FCAERP CC(C)n1cnc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000867589411 672343188 /nfs/dbraw/zinc/34/31/88/672343188.db2.gz GSIVDPLFUPQMBE-HUUCEWRRSA-N 2 0 357.524 0.824 10 0 FCAERP COC(=O)C(C)(C)CS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867590680 672343723 /nfs/dbraw/zinc/34/37/23/672343723.db2.gz RGYHCVOWNVHVGH-ZIAGYGMSSA-N 2 0 363.524 0.187 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc3c2OCO3)C[C@H]1C[NH+](C)C ZINC000867591052 672344059 /nfs/dbraw/zinc/34/40/59/672344059.db2.gz YIQDIUYEVGEDQA-ZIAGYGMSSA-N 2 0 369.487 0.775 10 0 FCAERP C[NH+]1CCC2(CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)CC2)CC1 ZINC000868388915 672397968 /nfs/dbraw/zinc/39/79/68/672397968.db2.gz LPELBLUWPBSMIS-MRXNPFEDSA-N 2 0 350.507 0.908 10 0 FCAERP C[NH+](C)CCOc1ccc(CCNS(=O)(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000923605208 672417536 /nfs/dbraw/zinc/41/75/36/672417536.db2.gz AKDOYOQGHNPGSS-QGZVFWFLSA-N 2 0 355.504 0.841 10 0 FCAERP COC(=O)[C@@H]1O[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H]1C ZINC000870016338 672461415 /nfs/dbraw/zinc/46/14/15/672461415.db2.gz KBTXJIIWSOZLSF-OXGONZEZSA-N 2 0 355.479 0.151 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@H]1C[NH+](C)C ZINC000870021583 672461722 /nfs/dbraw/zinc/46/17/22/672461722.db2.gz IUATWABQCVELEU-IAGOWNOFSA-N 2 0 352.523 0.439 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@H]1C[NH+](C)C ZINC000870023315 672462059 /nfs/dbraw/zinc/46/20/59/672462059.db2.gz SHAFBNRRNMQNJF-HUUCEWRRSA-N 2 0 359.536 0.542 10 0 FCAERP COc1ncnc(OC)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021822 672462174 /nfs/dbraw/zinc/46/21/74/672462174.db2.gz LNPZBRPVKCRBTO-CHWSQXEVSA-N 2 0 351.451 0.305 10 0 FCAERP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872186282 672596890 /nfs/dbraw/zinc/59/68/90/672596890.db2.gz JXQSZNZNQPBBCW-STQMWFEESA-N 2 0 366.428 0.628 10 0 FCAERP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872187625 672597215 /nfs/dbraw/zinc/59/72/15/672597215.db2.gz XPCFKSXIFVENOE-VXGBXAGGSA-N 2 0 350.385 0.136 10 0 FCAERP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872189544 672598774 /nfs/dbraw/zinc/59/87/74/672598774.db2.gz HPSDJSRQQXCAEQ-STQMWFEESA-N 2 0 364.412 0.382 10 0 FCAERP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872192210 672600660 /nfs/dbraw/zinc/60/06/60/672600660.db2.gz SWSOPYIXGOSIAE-RYUDHWBXSA-N 2 0 352.401 0.381 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000872192797 672601106 /nfs/dbraw/zinc/60/11/06/672601106.db2.gz KYORQNCYZYUSHC-AGIUHOORSA-N 2 0 364.412 0.523 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000872233084 672607219 /nfs/dbraw/zinc/60/72/19/672607219.db2.gz MLMPOISSCHLNQK-OWCLPIDISA-N 2 0 356.511 0.488 10 0 FCAERP CC[NH+](CC)CCN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@H]1CCS(=O)(=O)C1 ZINC000872291897 672610774 /nfs/dbraw/zinc/61/07/74/672610774.db2.gz VHHAZGQJTFPIAP-AESZEHBQSA-N 2 0 357.520 0.471 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923734314 673739583 /nfs/dbraw/zinc/73/95/83/673739583.db2.gz LYDNWPPZLWRSCG-QGZVFWFLSA-N 2 0 369.535 0.968 10 0 FCAERP C[NH+](C)CCn1nccc1NC(=O)NCCCCCN1CC[NH2+]CC1 ZINC000926129351 673812411 /nfs/dbraw/zinc/81/24/11/673812411.db2.gz CFKYOBDAUSLODD-UHFFFAOYSA-N 2 0 351.499 0.642 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC[C@@H]1C[NH3+] ZINC000926324487 673822455 /nfs/dbraw/zinc/82/24/55/673822455.db2.gz CCVVQUBSDADCAK-BRWVUGGUSA-N 2 0 350.507 0.907 10 0 FCAERP C[NH+]1CCC(C[NH2+][C@H]2CCOC23CCOCC3)(N2CCOCC2)CC1 ZINC000926577713 673835424 /nfs/dbraw/zinc/83/54/24/673835424.db2.gz YVRIXUQSQZSQSK-KRWDZBQOSA-N 2 0 353.507 0.711 10 0 FCAERP CCO[C@@H](CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C[NH+](C)C ZINC000926837848 673844452 /nfs/dbraw/zinc/84/44/52/673844452.db2.gz WKBVIVAJLXETHX-IRXDYDNUSA-N 2 0 355.527 0.375 10 0 FCAERP CCO[C@H](CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)C[NH+](C)C ZINC000926851616 673845893 /nfs/dbraw/zinc/84/58/93/673845893.db2.gz USSVOOKECDQGDN-DLBZAZTESA-N 2 0 356.511 0.896 10 0 FCAERP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000927635181 673872535 /nfs/dbraw/zinc/87/25/35/673872535.db2.gz QATSTUIOLPRMSA-IRXDYDNUSA-N 2 0 354.495 0.386 10 0 FCAERP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1=O ZINC000928090651 673899466 /nfs/dbraw/zinc/89/94/66/673899466.db2.gz BTXWUSHWAHVUOZ-KFWWJZLASA-N 2 0 354.520 0.093 10 0 FCAERP C[C@@H]1[C@H](NC(=O)CCSCCC(=O)N[C@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1C ZINC000928447336 673910233 /nfs/dbraw/zinc/91/02/33/673910233.db2.gz JOGIEFJRQBHQCY-FPCVCCKLSA-N 2 0 370.563 0.917 10 0 FCAERP O=C(NCCC[NH+]1CCCCC1)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000929244829 673945452 /nfs/dbraw/zinc/94/54/52/673945452.db2.gz OWQLPVDCNDMCTE-HOTGVXAUSA-N 2 0 368.547 0.675 10 0 FCAERP C[C@@H](CNC(=O)CN1CCC([NH+](C)C)CC1)N1CCC([NH+](C)C)CC1 ZINC000929260849 673946926 /nfs/dbraw/zinc/94/69/26/673946926.db2.gz FKAQOHYBXVILLJ-INIZCTEOSA-N 2 0 353.555 0.543 10 0 FCAERP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929279844 673947978 /nfs/dbraw/zinc/94/79/78/673947978.db2.gz HRSWZYWIOIZMFA-KRWDZBQOSA-N 2 0 355.523 0.822 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC23CC[NH+](C)CC3)CCSC1 ZINC000929465590 673957715 /nfs/dbraw/zinc/95/77/15/673957715.db2.gz QUYSLKSPOCMWAM-KRWDZBQOSA-N 2 0 354.520 0.237 10 0 FCAERP COCC[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000929647085 673969705 /nfs/dbraw/zinc/96/97/05/673969705.db2.gz XHJYZBNEPIAOSH-UHFFFAOYSA-N 2 0 356.511 0.260 10 0 FCAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000929793478 673977654 /nfs/dbraw/zinc/97/76/54/673977654.db2.gz SPFCFVOSALQJDR-MRXNPFEDSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H](C)[NH+]2CCC[C@H]([C@H](C)O)C2)C1 ZINC000930059491 673995815 /nfs/dbraw/zinc/99/58/15/673995815.db2.gz DKKYYUCAEGQIFQ-TXTZMMAHSA-N 2 0 355.523 0.677 10 0 FCAERP C[C@@H](O)C[C@@H]1CCC[NH+]1[C@@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000930082307 673996687 /nfs/dbraw/zinc/99/66/87/673996687.db2.gz WOJGZWQXIBDJHK-JCECYMMASA-N 2 0 355.523 0.962 10 0 FCAERP CC[C@H](CO)[NH+]1CCN(C(=O)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000901148037 675764072 /nfs/dbraw/zinc/76/40/72/675764072.db2.gz XMDOQZBKZSNTJI-GOSISDBHSA-N 2 0 354.539 0.708 10 0 FCAERP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000901275186 675778820 /nfs/dbraw/zinc/77/88/20/675778820.db2.gz XHMOZRSMGMUWKB-LMMKCTJWSA-N 2 0 352.523 0.318 10 0 FCAERP CC[C@H](CO)[NH+]1CCN(CC[C@@H](C)N2CC[NH+]([C@@H](CC)CO)CC2)CC1 ZINC000153627231 1168356477 /nfs/dbraw/zinc/35/64/77/1168356477.db2.gz CYVYIQDQDSAKMD-AQNXPRMDSA-N 2 0 370.582 0.542 10 0 FCAERP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000897527203 1192372053 /nfs/dbraw/zinc/37/20/53/1192372053.db2.gz ZHAXMFMUYFLXCV-HOTGVXAUSA-N 2 0 361.490 0.965 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)cn1 ZINC000125480214 1171960591 /nfs/dbraw/zinc/96/05/91/1171960591.db2.gz DWYJONLSVVWFGG-UHFFFAOYSA-N 2 0 372.473 0.761 10 0 FCAERP COC1CC[NH+](CCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000079669941 1172070439 /nfs/dbraw/zinc/07/04/39/1172070439.db2.gz WWQDKCVZUJYAIQ-UHFFFAOYSA-N 2 0 361.490 0.674 10 0 FCAERP CCN1CC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 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C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000863580982 1209945712 /nfs/dbraw/zinc/94/57/12/1209945712.db2.gz MCPLTBMHQFQTNU-IXDOHACOSA-N 2 0 370.538 0.972 10 0 FCAERP O=C1COC[C@@]2(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)COCCN12 ZINC000865795562 1209984941 /nfs/dbraw/zinc/98/49/41/1209984941.db2.gz KFWPZOJGIAJQEV-OAQYLSRUSA-N 2 0 373.497 0.911 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]23COCCN2C(=O)COC3)[C@@H](C)C1 ZINC000866553545 1209998795 /nfs/dbraw/zinc/99/87/95/1209998795.db2.gz DCKPBNHIOHGKMG-LNLFQRSKSA-N 2 0 369.506 0.341 10 0 FCAERP CN(CCOCC1CC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867559583 1210013269 /nfs/dbraw/zinc/01/32/69/1210013269.db2.gz QLSBKHGXFTWENH-IAGOWNOFSA-N 2 0 368.522 0.069 10 0 FCAERP CCOC[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867564571 1210013427 /nfs/dbraw/zinc/01/34/27/1210013427.db2.gz MISCWCVNUHVNJK-BRWVUGGUSA-N 2 0 368.522 0.069 10 0 FCAERP 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C[C@H](C[NH2+]CC(=O)NCc1cccnc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001274791277 1211124166 /nfs/dbraw/zinc/12/41/66/1211124166.db2.gz FQGNHKUTYIEWHP-BPLDGKMQSA-N 2 0 356.430 0.319 10 0 FCAERP O=C1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CN1CCN1CCOCC1 ZINC000925572354 1211502180 /nfs/dbraw/zinc/50/21/80/1211502180.db2.gz PPAXCTTVXUQMLJ-FHWLQOOXSA-N 2 0 364.534 0.677 10 0 FCAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC[NH2+]CC1 ZINC000925850790 1211508769 /nfs/dbraw/zinc/50/87/69/1211508769.db2.gz WQEAVTVDRWVKPL-HUUCEWRRSA-N 3 0 367.490 0.583 10 0 FCAERP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926295136 1211527134 /nfs/dbraw/zinc/52/71/34/1211527134.db2.gz ZWSHWTPIPPHJOU-INIZCTEOSA-N 2 0 368.522 0.389 10 0 FCAERP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926348595 1211537183 /nfs/dbraw/zinc/53/71/83/1211537183.db2.gz SSXFISJLBBFVBE-BZUAXINKSA-N 2 0 366.506 0.141 10 0 FCAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000926351816 1211538127 /nfs/dbraw/zinc/53/81/27/1211538127.db2.gz KTONHFVFJHKMOY-FXAWDEMLSA-N 2 0 362.518 0.921 10 0 FCAERP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926365033 1211539957 /nfs/dbraw/zinc/53/99/57/1211539957.db2.gz RTOFEJOEUMFQMS-HNAYVOBHSA-N 2 0 366.506 0.035 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000926375850 1211541139 /nfs/dbraw/zinc/54/11/39/1211541139.db2.gz XEDZOFMZEJXLEZ-CVEARBPZSA-N 2 0 366.506 0.332 10 0 FCAERP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926400082 1211546033 /nfs/dbraw/zinc/54/60/33/1211546033.db2.gz XMNWGKMBNQSPIG-OXQOHEQNSA-N 2 0 371.485 0.863 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926655875 1211552661 /nfs/dbraw/zinc/55/26/61/1211552661.db2.gz DKZNRVXFYLGKQZ-TVFCKZIOSA-N 2 0 368.522 0.848 10 0 FCAERP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)c2)CC1 ZINC000927854866 1211585960 /nfs/dbraw/zinc/58/59/60/1211585960.db2.gz NTNMQUDEWYDPSG-QGZVFWFLSA-N 2 0 373.501 0.568 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000929168796 1211620564 /nfs/dbraw/zinc/62/05/64/1211620564.db2.gz PUJHVZALYHALTK-KRWDZBQOSA-N 2 0 366.506 0.345 10 0 FCAERP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000929564492 1211646934 /nfs/dbraw/zinc/64/69/34/1211646934.db2.gz ZUTUCSQCEAQKAZ-MRXNPFEDSA-N 2 0 369.554 0.032 10 0 FCAERP C[C@H](CNC(=O)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[N@H+](C)C1CC1 ZINC000929960641 1211675889 /nfs/dbraw/zinc/67/58/89/1211675889.db2.gz UGNFMMLKPXBXHS-RHSMWYFYSA-N 2 0 361.490 0.790 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)C1CCCC1 ZINC000929996340 1211680271 /nfs/dbraw/zinc/68/02/71/1211680271.db2.gz JLLDGSTTWVEECI-KRWDZBQOSA-N 2 0 366.506 0.347 10 0 FCAERP 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CN1CC[N@H+](CC(CN2CC[NH+](C)[C@H](CO)C2)C2CCCC2)C[C@H]1CO ZINC000931398723 1211753123 /nfs/dbraw/zinc/75/31/23/1211753123.db2.gz SVAXKISFVFJNPJ-PMACEKPBSA-N 2 0 368.566 0.009 10 0 FCAERP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000935532282 1211880017 /nfs/dbraw/zinc/88/00/17/1211880017.db2.gz BWGHEEFTAVIXGM-BBWFWOEESA-N 2 0 369.506 0.170 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+](C[C@H](O)COC)C[C@]3(C)C2)CC[N@@H+]1C ZINC001276901417 1225717294 /nfs/dbraw/zinc/71/72/94/1225717294.db2.gz NDPKGQRTSNZYMY-VBYALHQYSA-N 2 0 367.534 0.894 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCN1C(=O)c3ccccc3C1=O)C2 ZINC000903493149 1218427028 /nfs/dbraw/zinc/42/70/28/1218427028.db2.gz VONCPHDFYDVAEK-MNVSYLFESA-N 2 0 371.437 0.885 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(=O)n3cccc(C)c3n1)C2 ZINC000903493139 1218427047 /nfs/dbraw/zinc/42/70/47/1218427047.db2.gz VEYPXMXTEXSOIM-KSMMKXTCSA-N 2 0 356.426 0.715 10 0 FCAERP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C[C@H](C)O1 ZINC000903730004 1218509189 /nfs/dbraw/zinc/50/91/89/1218509189.db2.gz FMRIQKGJIAUELU-FZKCQIBNSA-N 2 0 366.506 0.282 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)C[C@H]1CC[NH3+] ZINC000903737530 1218511388 /nfs/dbraw/zinc/51/13/88/1218511388.db2.gz OTJCSPMRVUFIHD-ZACQAIPSSA-N 2 0 366.506 0.143 10 0 FCAERP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000903786822 1218525578 /nfs/dbraw/zinc/52/55/78/1218525578.db2.gz DMCKFQGIERTRJS-WBVHZDCISA-N 2 0 359.474 0.719 10 0 FCAERP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903886820 1218560566 /nfs/dbraw/zinc/56/05/66/1218560566.db2.gz TWAXTYUUOJQPMW-BHYGNILZSA-N 2 0 365.522 0.709 10 0 FCAERP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000804054314 1219109994 /nfs/dbraw/zinc/10/99/94/1219109994.db2.gz REFXYJBJQKKZSL-ODZFXCKXSA-N 2 0 364.490 0.099 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCNC(=O)C[NH+](C)CCc2ccccc2)CC[N@@H+]1C ZINC001491337135 1220118355 /nfs/dbraw/zinc/11/83/55/1220118355.db2.gz QSWFMQYMGUTAGG-SJLPKXTDSA-N 2 0 360.502 0.734 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CCC[NH+](C)CCO)CC2)CC[N@@H+]1C ZINC001277412597 1226029667 /nfs/dbraw/zinc/02/96/67/1226029667.db2.gz ATSBJADBICMYLD-NVXWUHKLSA-N 2 0 368.522 0.138 10 0 FCAERP COCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC001118381244 1221770947 /nfs/dbraw/zinc/77/09/47/1221770947.db2.gz GSZKVWRBZHYKLX-ZWKOTPCHSA-N 2 0 363.506 0.636 10 0 FCAERP CCO[C@H]1C[C@@]([NH3+])(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1(C)C ZINC001118505547 1221790624 /nfs/dbraw/zinc/79/06/24/1221790624.db2.gz GCLFGKXBVKPCQL-HNAYVOBHSA-N 2 0 368.522 0.626 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CC1 ZINC001118510527 1221791722 /nfs/dbraw/zinc/79/17/22/1221791722.db2.gz IFCCNUHQOSZLOB-LJQANCHMSA-N 2 0 372.513 0.972 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC001118548475 1221799222 /nfs/dbraw/zinc/79/92/22/1221799222.db2.gz MQAAORIDHWLWDF-DOTOQJQBSA-N 2 0 367.538 0.959 10 0 FCAERP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[C@H]1C[NH+](C)CCN1C ZINC001119454754 1221919396 /nfs/dbraw/zinc/91/93/96/1221919396.db2.gz MQXZQHIRRUIPQY-XOYOTBSWSA-N 2 0 362.522 0.206 10 0 FCAERP CN1CC[NH+](CC2CCN(C(=O)N[C@@H]3CC[C@H]4C[N@H+](C)C[C@H]43)CC2)CC1 ZINC001123705119 1222352730 /nfs/dbraw/zinc/35/27/30/1222352730.db2.gz JFFSRIIAALGVNO-IPMKNSEASA-N 2 0 363.550 0.996 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC001123733364 1222354166 /nfs/dbraw/zinc/35/41/66/1222354166.db2.gz ITVQQVVYPVQMOU-UHFFFAOYSA-N 2 0 374.489 0.466 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841847419 1222829912 /nfs/dbraw/zinc/82/99/12/1222829912.db2.gz XVJAPUONUOTJPF-GJZGRUSLSA-N 2 0 363.414 0.814 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841847418 1222830142 /nfs/dbraw/zinc/83/01/42/1222830142.db2.gz XVJAPUONUOTJPF-CABCVRRESA-N 2 0 363.414 0.814 10 0 FCAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000843258488 1222867401 /nfs/dbraw/zinc/86/74/01/1222867401.db2.gz GHCWFURWCXDVDZ-LZLYRXPVSA-N 2 0 372.469 0.051 10 0 FCAERP C[NH+](C)[C@@H]1C[C@H](CNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000847565974 1245344712 /nfs/dbraw/zinc/34/47/12/1245344712.db2.gz QPNCQBKKKFQMFX-IYBDPMFKSA-N 2 0 373.501 0.833 10 0 FCAERP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)cn1 ZINC000849512289 1245398316 /nfs/dbraw/zinc/39/83/16/1245398316.db2.gz BTYHYEBILPSAOF-BDXSIMOUSA-N 2 0 361.490 0.435 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](C(=O)NCCOCC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849578848 1245403217 /nfs/dbraw/zinc/40/32/17/1245403217.db2.gz XZGZYRCLFKVKCP-ZWKOTPCHSA-N 2 0 365.522 0.928 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](C(=O)NCCOCC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849578846 1245404071 /nfs/dbraw/zinc/40/40/71/1245404071.db2.gz XZGZYRCLFKVKCP-ROUUACIJSA-N 2 0 365.522 0.928 10 0 FCAERP C[C@@]12CN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000872193849 1245434691 /nfs/dbraw/zinc/43/46/91/1245434691.db2.gz CIHLSHZSCYSLIQ-WAOWUJCRSA-N 2 0 370.497 0.917 10 0 FCAERP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000917951606 1245561953 /nfs/dbraw/zinc/56/19/53/1245561953.db2.gz BNMMBQDMKMRUTK-IRXDYDNUSA-N 2 0 367.538 0.517 10 0 FCAERP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000917951605 1245562423 /nfs/dbraw/zinc/56/24/23/1245562423.db2.gz BNMMBQDMKMRUTK-IAGOWNOFSA-N 2 0 367.538 0.517 10 0 FCAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC(=O)NC[C@H]1Cc3ccccc3O1)CC2 ZINC000923448937 1245720343 /nfs/dbraw/zinc/72/03/43/1245720343.db2.gz INWRLVADNWBTKX-IAGOWNOFSA-N 2 0 359.470 0.936 10 0 FCAERP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504699 1245724186 /nfs/dbraw/zinc/72/41/86/1245724186.db2.gz SZTWLEDYIKBMLO-HUUCEWRRSA-N 2 0 362.474 0.975 10 0 FCAERP COCCOC[C@H](O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001327982985 1265467046 /nfs/dbraw/zinc/46/70/46/1265467046.db2.gz ZYNQJEQKEXYAKZ-BRWVUGGUSA-N 2 0 371.522 0.321 10 0 FCAERP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001328606520 1265586176 /nfs/dbraw/zinc/58/61/76/1265586176.db2.gz LAKIIEKNKGPKNH-CQSZACIVSA-N 2 0 371.445 0.615 10 0 FCAERP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001329041433 1265680072 /nfs/dbraw/zinc/68/00/72/1265680072.db2.gz MCJFHODXEDLTPT-MRXNPFEDSA-N 2 0 358.442 0.804 10 0 FCAERP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001519361153 1265716196 /nfs/dbraw/zinc/71/61/96/1265716196.db2.gz DIHUYXQQHATSNW-XYJFISCASA-N 2 0 356.511 0.632 10 0 FCAERP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC001329563554 1265781970 /nfs/dbraw/zinc/78/19/70/1265781970.db2.gz ZHRGLUGUKYAPOU-ZIAGYGMSSA-N 2 0 362.478 0.674 10 0 FCAERP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C(C)=O)c2cccc3c2C[NH2+]CC3)C1 ZINC001329564711 1265782152 /nfs/dbraw/zinc/78/21/52/1265782152.db2.gz CDEKPMYHXYMOPC-HNNXBMFYSA-N 2 0 358.442 0.422 10 0 FCAERP CN(CC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)Cc1ccccc1 ZINC001329645588 1265798237 /nfs/dbraw/zinc/79/82/37/1265798237.db2.gz BMSKSBOKSJSJIQ-MSOLQXFVSA-N 2 0 372.469 0.902 10 0 FCAERP CC(C)n1cc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(=O)[nH]c1=O ZINC001520154329 1265860701 /nfs/dbraw/zinc/86/07/01/1265860701.db2.gz WZZWFPZXPKHLCQ-UHFFFAOYSA-N 2 0 368.482 0.165 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001520804813 1266005402 /nfs/dbraw/zinc/00/54/02/1266005402.db2.gz UAMYMQWIANNNKY-UXLLHSPISA-N 2 0 350.507 0.918 10 0 FCAERP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001520926948 1266040588 /nfs/dbraw/zinc/04/05/88/1266040588.db2.gz DSLFLCHPTFREOQ-XKGZKEIXSA-N 2 0 365.518 0.983 10 0 FCAERP Cc1cc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)ccc1N1CC[NH+](C)CC1 ZINC001330509662 1266045953 /nfs/dbraw/zinc/04/59/53/1266045953.db2.gz HHEUMTDEYXWEDB-UHFFFAOYSA-N 2 0 371.485 0.554 10 0 FCAERP C[C@@H](COCC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C)[NH+]1CCCC1 ZINC001521067125 1266072899 /nfs/dbraw/zinc/07/28/99/1266072899.db2.gz PTTSCVJHRAGEIH-BBWFWOEESA-N 2 0 368.522 0.545 10 0 FCAERP CC[N@H+](CCNC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC001331584825 1266242447 /nfs/dbraw/zinc/24/24/47/1266242447.db2.gz OHGOSNUKVQCEDY-KRWDZBQOSA-N 2 0 366.506 0.204 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)cn1 ZINC001331717932 1266271572 /nfs/dbraw/zinc/27/15/72/1266271572.db2.gz OJFAMIVJLUCUBU-UHFFFAOYSA-N 2 0 372.429 0.504 10 0 FCAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001521992597 1266283659 /nfs/dbraw/zinc/28/36/59/1266283659.db2.gz ZZDVLRIZUJXFLQ-IAGOWNOFSA-N 2 0 362.518 0.779 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC2CCS(=O)(=O)CC2)C[C@H]1C[NH+](C)C ZINC001336536547 1260165971 /nfs/dbraw/zinc/16/59/71/1260165971.db2.gz CDEDBPRWILUNBC-HZPDHXFCSA-N 2 0 374.551 0.192 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1(F)F ZINC001261868635 1260203797 /nfs/dbraw/zinc/20/37/97/1260203797.db2.gz RDLDJYNCVFFMDT-RRFJBIMHSA-N 2 0 374.476 0.688 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2Cc3ccccc3C2)C[C@H]1C[NH+](C)C ZINC001332019926 1266317153 /nfs/dbraw/zinc/31/71/53/1266317153.db2.gz YUPACTGOZGPXEN-QZTJIDSGSA-N 2 0 358.486 0.727 10 0 FCAERP CO[C@@H]1CCn2cc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)nc2C1 ZINC001262023460 1260245929 /nfs/dbraw/zinc/24/59/29/1260245929.db2.gz XWDRDEKIBALMSY-BZUAXINKSA-N 2 0 363.506 0.656 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2Cc3ccccc3CO2)C[C@H]1C[NH+](C)C ZINC001332038007 1266321144 /nfs/dbraw/zinc/32/11/44/1266321144.db2.gz LDEQJVLGRGFTDQ-QZTJIDSGSA-N 2 0 374.485 0.658 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)C(C)(C)C[NH+](C)C ZINC001262266198 1260290934 /nfs/dbraw/zinc/29/09/34/1260290934.db2.gz LRNWDFFVDUABAA-XHSDSOJGSA-N 2 0 368.522 0.137 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C(C)(C)C[NH+](C)C ZINC001262266196 1260291057 /nfs/dbraw/zinc/29/10/57/1260291057.db2.gz LRNWDFFVDUABAA-HRCADAONSA-N 2 0 368.522 0.137 10 0 FCAERP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001522073879 1266332039 /nfs/dbraw/zinc/33/20/39/1266332039.db2.gz NHRSRGAQUKNQSC-VSZNYVQBSA-N 2 0 350.507 0.382 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001278497859 1260702194 /nfs/dbraw/zinc/70/21/94/1260702194.db2.gz GWDGMORRJXXELK-IIDMSEBBSA-N 2 0 366.485 0.916 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCn2nc(C)nc2C)CC[N@@H+]1C ZINC001278762103 1260727445 /nfs/dbraw/zinc/72/74/45/1260727445.db2.gz MNXCFQMXXURDKP-IXDOHACOSA-N 2 0 366.510 0.034 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC(c3c[nH]cn3)CC2)C[C@@H]1C(F)(F)F ZINC001332232048 1266362941 /nfs/dbraw/zinc/36/29/41/1266362941.db2.gz NMEXPUKKELLFHN-NEPJUHHUSA-N 2 0 373.379 0.711 10 0 FCAERP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001280529462 1261066040 /nfs/dbraw/zinc/06/60/40/1261066040.db2.gz IAEJCMVHDMWQIR-BFYDXBDKSA-N 2 0 368.522 0.401 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001281680069 1261145667 /nfs/dbraw/zinc/14/56/67/1261145667.db2.gz ZRCLQRQIRAQANL-NUJGCVRESA-N 2 0 368.522 0.137 10 0 FCAERP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC001332387608 1266393496 /nfs/dbraw/zinc/39/34/96/1266393496.db2.gz LFUFPJCPJFLEOB-FMKPAKJESA-N 2 0 359.474 0.866 10 0 FCAERP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1O)[NH+](C)C ZINC001281904180 1261272517 /nfs/dbraw/zinc/27/25/17/1261272517.db2.gz XGDWGDXZCAXIPD-OAGGEKHMSA-N 2 0 368.522 0.279 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001282300669 1261408267 /nfs/dbraw/zinc/40/82/67/1261408267.db2.gz ZMDORGVJYFISRE-KURKYZTESA-N 2 0 364.534 0.975 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@@H+]1C ZINC001283266636 1261674409 /nfs/dbraw/zinc/67/44/09/1261674409.db2.gz IHMYXOADSHMLDS-GDBMZVCRSA-N 2 0 370.457 0.844 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2cccc(OC)n2)CC[N@@H+]1C ZINC001284415054 1261755255 /nfs/dbraw/zinc/75/52/55/1261755255.db2.gz AHLGGEDDTJAWQE-IXDOHACOSA-N 2 0 364.490 0.729 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(CCNC(=O)[C@@H]2CCC[NH+]2C)CCOC)CC[N@@H+]1C ZINC001288240419 1262014287 /nfs/dbraw/zinc/01/42/87/1262014287.db2.gz JBYGDBKSZKZBSW-BBWFWOEESA-N 2 0 368.522 0.402 10 0 FCAERP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH+]2C)C[C@@H]1O)C1CCC1 ZINC001289653037 1262289849 /nfs/dbraw/zinc/28/98/49/1262289849.db2.gz GLPMQLKZUALPKR-BBWFWOEESA-N 2 0 366.506 0.033 10 0 FCAERP CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001292111682 1262647113 /nfs/dbraw/zinc/64/71/13/1262647113.db2.gz QFWFKZCMBSHQMW-XDNAFOTISA-N 2 0 362.518 0.918 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001295251630 1262761028 /nfs/dbraw/zinc/76/10/28/1262761028.db2.gz BLIXZJNUQUSGGU-IXDOHACOSA-N 2 0 368.522 0.260 10 0 FCAERP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001479455069 1263206450 /nfs/dbraw/zinc/20/64/50/1263206450.db2.gz VPAMGVVPDADYJL-UONOGXRCSA-N 2 0 367.494 0.191 10 0 FCAERP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001479541876 1263246602 /nfs/dbraw/zinc/24/66/02/1263246602.db2.gz HCPOICJVFKEUFL-HZPDHXFCSA-N 2 0 354.495 0.014 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001479546686 1263248655 /nfs/dbraw/zinc/24/86/55/1263248655.db2.gz HDVPJBXYPCOEQT-OWCLPIDISA-N 2 0 354.495 0.058 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCN1CCNC1=O ZINC001479637604 1263286190 /nfs/dbraw/zinc/28/61/90/1263286190.db2.gz WPJGKKWPPXAKRQ-JKSUJKDBSA-N 2 0 351.495 0.465 10 0 FCAERP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001316667659 1263408707 /nfs/dbraw/zinc/40/87/07/1263408707.db2.gz XFWSTUSHLPLCHE-SOLBZPMBSA-N 2 0 363.506 0.763 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001479770477 1263411415 /nfs/dbraw/zinc/41/14/15/1263411415.db2.gz FFAAWEIXKIECGD-GDBMZVCRSA-N 2 0 359.536 0.590 10 0 FCAERP CN(C)C(=O)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001479797660 1263412575 /nfs/dbraw/zinc/41/25/75/1263412575.db2.gz INVLBHTYJNFXBA-MSOLQXFVSA-N 2 0 360.502 0.858 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCc1cnn(C)c1 ZINC001316684866 1263419241 /nfs/dbraw/zinc/41/92/41/1263419241.db2.gz VAZXEUXIHJAJBX-KZNAEPCWSA-N 2 0 363.506 0.510 10 0 FCAERP CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001316690165 1263421351 /nfs/dbraw/zinc/42/13/51/1263421351.db2.gz BSKPYSYHPAZPBR-OWCLPIDISA-N 2 0 366.506 0.060 10 0 FCAERP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001316691662 1263422485 /nfs/dbraw/zinc/42/24/85/1263422485.db2.gz MICPUMOLNIUGSK-IXDOHACOSA-N 2 0 368.522 0.401 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001480139632 1263424781 /nfs/dbraw/zinc/42/47/81/1263424781.db2.gz XULCCZHUCXYHFE-LUKYLMHMSA-N 2 0 350.507 0.870 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)Nc3ccc(O)cc3)C2)CC[N@@H+]1C ZINC001480137843 1263425426 /nfs/dbraw/zinc/42/54/26/1263425426.db2.gz AONVVBFCEKCECS-DNNBLBMLSA-N 2 0 360.458 0.908 10 0 FCAERP 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CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCOCCO)CC3)CC[N@@H+]1C ZINC001278453816 862333106 /nfs/dbraw/zinc/33/31/06/862333106.db2.gz YRYDLNBKHHDISX-ZMMAXQRCSA-N 2 0 353.507 0.839 10 0 FCAERP CNC(=O)[C@@H]1CC[NH+](CC[Si](C)(C)CC[N@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC001261798950 858668161 /nfs/dbraw/zinc/66/81/61/858668161.db2.gz YSHAWBBENBWTEE-HZPDHXFCSA-N 2 0 368.598 0.831 10 0 FCAERP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)no1 ZINC001263716360 859194174 /nfs/dbraw/zinc/19/41/74/859194174.db2.gz MHQJBUPQNISUNS-TZMCWYRMSA-N 2 0 351.451 0.698 10 0 FCAERP C[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001264000599 859275892 /nfs/dbraw/zinc/27/58/92/859275892.db2.gz XFJCYUQYHVHNID-ILXRZTDVSA-N 2 0 352.479 0.350 10 0 FCAERP C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001264566744 859388107 /nfs/dbraw/zinc/38/81/07/859388107.db2.gz GEZVFICMLCAZTC-IXDOHACOSA-N 2 0 350.507 0.968 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC001264617161 859400683 /nfs/dbraw/zinc/40/06/83/859400683.db2.gz CKCULHUREJVLQL-OWCLPIDISA-N 2 0 359.536 0.732 10 0 FCAERP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001264646292 859412729 /nfs/dbraw/zinc/41/27/29/859412729.db2.gz IVAKQFDEXWEGGD-IXDOHACOSA-N 2 0 350.507 0.776 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1CCOCCO ZINC001264719417 859437689 /nfs/dbraw/zinc/43/76/89/859437689.db2.gz XPYDTYBWYDEWEI-VKJFTORMSA-N 2 0 359.486 0.787 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001265609746 859463386 /nfs/dbraw/zinc/46/33/86/859463386.db2.gz WQBAKLOLORKTQE-OWCLPIDISA-N 2 0 359.536 0.590 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCCCOC)C2)CC[N@@H+]1C ZINC001265905916 859468537 /nfs/dbraw/zinc/46/85/37/859468537.db2.gz ZXTJPIVPOMWEJX-HRCADAONSA-N 2 0 354.495 0.060 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCC2CC[NH+]([C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001267943326 859519896 /nfs/dbraw/zinc/51/98/96/859519896.db2.gz IZSHCHGDNUMHOP-BBWFWOEESA-N 2 0 350.507 0.824 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](C[C@@H](O)COC)C3)CC2)CC[N@@H+]1C ZINC001268043839 859522306 /nfs/dbraw/zinc/52/23/06/859522306.db2.gz RFBGNISSBYQNEI-IXDOHACOSA-N 2 0 353.507 0.648 10 0 FCAERP COCCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001270051468 859636392 /nfs/dbraw/zinc/63/63/92/859636392.db2.gz WZCJNRZHUBELKI-BZUAXINKSA-N 2 0 354.495 0.060 10 0 FCAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001281616529 863541265 /nfs/dbraw/zinc/54/12/65/863541265.db2.gz TYEVLXHQFBBIEI-ARFHVFGLSA-N 2 0 356.486 0.677 10 0 FCAERP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1OC)[NH+](C)C ZINC001281864485 863842323 /nfs/dbraw/zinc/84/23/23/863842323.db2.gz WAVXPIPCQYSJIV-FXUDXRNXSA-N 2 0 354.495 0.153 10 0 FCAERP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001281985520 864020877 /nfs/dbraw/zinc/02/08/77/864020877.db2.gz REMPHYCTBFBHNZ-GVDBMIGSSA-N 2 0 350.507 0.729 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001282010972 864040274 /nfs/dbraw/zinc/04/02/74/864040274.db2.gz SUHLLQQSNLIRHA-LHUBUQBQSA-N 2 0 350.507 0.679 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001282264264 864150503 /nfs/dbraw/zinc/15/05/03/864150503.db2.gz LTUFCEXJODBKAQ-JKSUJKDBSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+](C)CCCC(=O)N1CC2CN(C(=O)CCC[NH+](C)C)CC2(C)C1 ZINC001282452992 864267509 /nfs/dbraw/zinc/26/75/09/864267509.db2.gz YEPRMLNWZDJUQS-UHFFFAOYSA-N 2 0 352.523 0.977 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](C)C2)C1 ZINC001282481487 864292831 /nfs/dbraw/zinc/29/28/31/864292831.db2.gz GGXHZIAEAXLXLB-BRWVUGGUSA-N 2 0 350.507 0.635 10 0 FCAERP CC(C)[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C)[NH+](C)C ZINC001282513375 864316268 /nfs/dbraw/zinc/31/62/68/864316268.db2.gz RAPKTMFGYHFNTB-QBPKDAKJSA-N 2 0 352.523 0.878 10 0 FCAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001282825558 864460548 /nfs/dbraw/zinc/46/05/48/864460548.db2.gz XZHQIHFDZSZLAF-GJYPPUQNSA-N 2 0 350.507 0.777 10 0 FCAERP CCS(=O)(=O)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001283043377 864483204 /nfs/dbraw/zinc/48/32/04/864483204.db2.gz MULXLAFGEDUOQS-KLHDSHLOSA-N 2 0 359.536 0.636 10 0 FCAERP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001289323288 865018768 /nfs/dbraw/zinc/01/87/68/865018768.db2.gz XKJWAAATSLOETA-ZACQAIPSSA-N 2 0 350.507 0.920 10 0 FCAERP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)[NH+](C)C ZINC001289405739 865048580 /nfs/dbraw/zinc/04/85/80/865048580.db2.gz DECCGKQRVNVODZ-BZUAXINKSA-N 2 0 350.507 0.632 10 0 FCAERP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001289810066 865286068 /nfs/dbraw/zinc/28/60/68/865286068.db2.gz NHSPYFHSILNYJT-NUJGCVRESA-N 2 0 352.523 0.974 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001289851600 865297175 /nfs/dbraw/zinc/29/71/75/865297175.db2.gz LTYJYJRKZBQSGR-IAGOWNOFSA-N 2 0 350.507 0.873 10 0 FCAERP CC[NH+](C)CCC(=O)N1CC2CN(C(=O)CC[N@@H+](C)CC)CC2(C)C1 ZINC001290850001 865531605 /nfs/dbraw/zinc/53/16/05/865531605.db2.gz NZVHKYHCKNTRDQ-UHFFFAOYSA-N 2 0 352.523 0.977 10 0 FCAERP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)C1 ZINC001291676577 865614280 /nfs/dbraw/zinc/61/42/80/865614280.db2.gz AIWUCRGDPYWENS-GVDBMIGSSA-N 2 0 352.523 0.881 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(CCCNC(=O)[C@H]2CCC[NH+]2C)C2CC2)CC[N@@H+]1C ZINC001294578985 865842826 /nfs/dbraw/zinc/84/28/26/865842826.db2.gz NUZMWPJWMAQBGE-DJIMGWMZSA-N 2 0 350.507 0.918 10 0 FCAERP O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001349316687 866302709 /nfs/dbraw/zinc/30/27/09/866302709.db2.gz KZMKFUHXYFUIDY-JQHSSLGASA-N 2 0 351.491 0.714 10 0 FCAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001316663880 867384857 /nfs/dbraw/zinc/38/48/57/867384857.db2.gz JWINCOFUYMYDJE-ZNMIVQPWSA-N 2 0 352.479 0.398 10 0 FCAERP CN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001316666399 867387550 /nfs/dbraw/zinc/38/75/50/867387550.db2.gz FWHPEDQKCHINTL-GVDBMIGSSA-N 2 0 350.507 0.968 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001316681793 867394264 /nfs/dbraw/zinc/39/42/64/867394264.db2.gz CYQCBTINOCGIQP-OWCLPIDISA-N 2 0 354.495 0.058 10 0 FCAERP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(C)s1 ZINC001316690911 867399667 /nfs/dbraw/zinc/39/96/67/867399667.db2.gz GOXZDUFTYTZVRX-ZIAGYGMSSA-N 2 0 355.508 0.751 10 0 FCAERP COCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001316703428 867410307 /nfs/dbraw/zinc/41/03/07/867410307.db2.gz KACUGYLNKRDWPU-WBVHZDCISA-N 2 0 351.495 0.921 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001317057541 867518083 /nfs/dbraw/zinc/51/80/83/867518083.db2.gz IRKWSWZKYWRPDC-YESZJQIVSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(=O)N2CCC2)C2CCCC2)CC[N@@H+]1C ZINC001324466328 869594927 /nfs/dbraw/zinc/59/49/27/869594927.db2.gz DJHYRWPLVHRFSX-DJIMGWMZSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCCN3CCCC3=O)CCC2)CC[N@@H+]1C ZINC001326821239 870514249 /nfs/dbraw/zinc/51/42/49/870514249.db2.gz AZKMXUGYTBOREB-HZPDHXFCSA-N 2 0 350.507 0.968 10 0 FCAERP C[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001343988564 870696565 /nfs/dbraw/zinc/69/65/65/870696565.db2.gz FLHHSZLBZQQVGJ-HZPDHXFCSA-N 2 0 352.523 0.975 10 0 FCAERP Cc1c(C(=O)NCCCC[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC001328142632 871245842 /nfs/dbraw/zinc/24/58/42/871245842.db2.gz CKHYHMFVHJHWIB-UHFFFAOYSA-N 2 0 350.467 0.353 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NCC2CC2)CC[N@@H+]1C ZINC001328620035 871547313 /nfs/dbraw/zinc/54/73/13/871547313.db2.gz CIXYKZHLWIDQKX-HYVNUMGLSA-N 2 0 350.507 0.824 10 0 FCAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C[C@H]1C ZINC001346121306 871656586 /nfs/dbraw/zinc/65/65/86/871656586.db2.gz YWRMAXQRBFQJAB-BRWVUGGUSA-N 2 0 352.523 0.879 10 0 FCAERP C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1C ZINC001346156052 871672855 /nfs/dbraw/zinc/67/28/55/871672855.db2.gz LWBJKQVHQAGHMF-ZFWWWQNUSA-N 2 0 350.467 0.324 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cn1 ZINC001329619659 872140394 /nfs/dbraw/zinc/14/03/94/872140394.db2.gz GPFNMTMKHMNSQU-HUUCEWRRSA-N 2 0 350.467 0.372 10 0 FCAERP [NH3+]CC1(CCNC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC001330007655 872416167 /nfs/dbraw/zinc/41/61/67/872416167.db2.gz IHOKQUNUYXMFMW-KGLIPLIRSA-N 2 0 351.451 0.082 10 0 FCAERP C[C@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@H]1C[N@H+](C)CCN1C ZINC001348265182 872650209 /nfs/dbraw/zinc/65/02/09/872650209.db2.gz UKEZKUODFGYWCQ-JKSUJKDBSA-N 2 0 353.511 0.127 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C[C@@H]1C(F)(F)F ZINC001348822532 872803615 /nfs/dbraw/zinc/80/36/15/872803615.db2.gz WYLGEWNIYNEQMB-AGIUHOORSA-N 2 0 362.396 0.279 10 0 FCAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)c1nccs1 ZINC001331457194 873112807 /nfs/dbraw/zinc/11/28/07/873112807.db2.gz YJODKEPGGUTRNN-MGPQQGTHSA-N 2 0 367.519 0.883 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC2(CCC2)O1 ZINC001331861618 873280389 /nfs/dbraw/zinc/28/03/89/873280389.db2.gz FFDAMXMRHJFJQF-HNNXBMFYSA-N 2 0 354.495 0.156 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCC(C)(C)C2)C[C@H]1C[NH+](C)C ZINC001331949313 873312475 /nfs/dbraw/zinc/31/24/75/873312475.db2.gz XPQSHDXYHDGGEO-HZPDHXFCSA-N 2 0 352.523 0.833 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC001333531517 873993976 /nfs/dbraw/zinc/99/39/76/873993976.db2.gz AAVWPTLDBVFQGR-UHFFFAOYSA-N 2 0 351.495 0.538 10 0 FCAERP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)NC[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000930368067 674016774 /nfs/dbraw/zinc/01/67/74/674016774.db2.gz QWEPPEQANYUOOD-LUKYLMHMSA-N 2 0 350.507 0.539 10 0 FCAERP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@]3(C1)CCC[NH+](C)C3)c(=O)n2C ZINC000293022860 214139036 /nfs/dbraw/zinc/13/90/36/214139036.db2.gz QXEMWCAUTIPYEP-LJQANCHMSA-N 2 0 374.489 0.242 10 0 FCAERP COc1ccc(OC)c(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000265870802 210240475 /nfs/dbraw/zinc/24/04/75/210240475.db2.gz PKUOMLRRCCEREC-MRXNPFEDSA-N 2 0 363.458 0.727 10 0 FCAERP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N4C[C@H]5CC[N@@H+](C)[C@H]5C4)C3)C[C@H]21 ZINC000412380808 529797568 /nfs/dbraw/zinc/79/75/68/529797568.db2.gz SCHQWDCYDCWHSI-IJANMDNKSA-N 2 0 374.529 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CTQVOTZVIFBXEO-LZYVMWMOSA-N 2 0 350.507 0.809 10 0 FCAERP CC[N@H+](CCNC(=O)C(=O)N1CCNC[C@H]1c1ccccc1OC)C1CC1 ZINC000419530378 246193075 /nfs/dbraw/zinc/19/30/75/246193075.db2.gz ZDJGTKHFHYNUAY-KRWDZBQOSA-N 2 0 374.485 0.769 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419528363 246193206 /nfs/dbraw/zinc/19/32/06/246193206.db2.gz CEVQLFUHUHLGQM-HNNXBMFYSA-N 2 0 354.495 0.381 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419538376 246198289 /nfs/dbraw/zinc/19/82/89/246198289.db2.gz XBMPCPOQVZTGEL-LMSBXDPUSA-N 2 0 358.486 0.737 10 0 FCAERP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000419548247 246199527 /nfs/dbraw/zinc/19/95/27/246199527.db2.gz SQDXLSWFRRVEBP-INIZCTEOSA-N 2 0 354.495 0.062 10 0 FCAERP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419664652 246237924 /nfs/dbraw/zinc/23/79/24/246237924.db2.gz MNASIIRRCDOMBX-CALCHBBNSA-N 2 0 371.485 0.767 10 0 FCAERP COc1ccccc1[C@@H]1CNCCN1C(=O)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000419677952 246244758 /nfs/dbraw/zinc/24/47/58/246244758.db2.gz DGOYQALPUFMHQL-HOCLYGCPSA-N 2 0 371.441 0.570 10 0 FCAERP C[NH2+]CCCN(C)C(=O)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000419706696 246261921 /nfs/dbraw/zinc/26/19/21/246261921.db2.gz DHMUSHVTCPCTFE-UHFFFAOYSA-N 2 0 366.893 0.882 10 0 FCAERP [NH3+]C[C@H](NC(=O)C(=O)NCCN1CCc2c(Cl)cccc2C1)C1CC1 ZINC000419707747 246262109 /nfs/dbraw/zinc/26/21/09/246262109.db2.gz FXEPAGBKYFJIIZ-INIZCTEOSA-N 2 0 364.877 0.668 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000419759931 246288346 /nfs/dbraw/zinc/28/83/46/246288346.db2.gz MWIRJJUMOSFSSQ-UHFFFAOYSA-N 2 0 350.438 0.584 10 0 FCAERP CN(C(=O)C(=O)NCCC[NH3+])[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419831360 246310314 /nfs/dbraw/zinc/31/03/14/246310314.db2.gz LPXIZFOFEFRKLK-SJORKVTESA-N 2 0 367.538 0.247 10 0 FCAERP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419916900 246368154 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SGHFWDBDODJTBQ-DLBZAZTESA-N 2 0 357.462 0.431 10 0 FCAERP COc1nc(N2CCC([NH+](C)C)CC2)nc(N2CCC([NH+](C)C)CC2)n1 ZINC000426609424 247470878 /nfs/dbraw/zinc/47/08/78/247470878.db2.gz YZYXTFLVCYBEOQ-UHFFFAOYSA-N 2 0 363.510 0.941 10 0 FCAERP O=C(C[NH+]1CCC12CCC2)N1CCN(C(=O)C[N@@H+]2CCC23CCC3)CC1 ZINC000438580952 248088975 /nfs/dbraw/zinc/08/89/75/248088975.db2.gz PBACZJRDCSUXGY-UHFFFAOYSA-N 2 0 360.502 0.914 10 0 FCAERP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441177700 248240488 /nfs/dbraw/zinc/24/04/88/248240488.db2.gz BMEJTWXKEGSKDU-CEXWTWQISA-N 2 0 364.534 0.913 10 0 FCAERP CCO[C@H]1C[C@@](CO)([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000444799750 248368727 /nfs/dbraw/zinc/36/87/27/248368727.db2.gz IXJRUGFSTXLPMX-LPHOPBHVSA-N 2 0 353.507 0.885 10 0 FCAERP COC(=O)[C@H]1CN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC[N@H+](C)C1 ZINC000413250035 532991686 /nfs/dbraw/zinc/99/16/86/532991686.db2.gz QIIRRLDTBALPHT-BZUAXINKSA-N 2 0 354.495 0.996 10 0 FCAERP 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ZINC000262255489 488559478 /nfs/dbraw/zinc/55/94/78/488559478.db2.gz LVGFNRXXDFSEIB-MSOLQXFVSA-N 2 0 362.522 0.113 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000562993886 491206469 /nfs/dbraw/zinc/20/64/69/491206469.db2.gz QWBROECQARSAFZ-GDBMZVCRSA-N 2 0 366.893 0.643 10 0 FCAERP O=C(NC[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1)[C@@H]1CCC[NH2+]1 ZINC000262419967 488569312 /nfs/dbraw/zinc/56/93/12/488569312.db2.gz RQGUUUTYAKQDJA-OGNFBWPZSA-N 2 0 362.518 0.873 10 0 FCAERP CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000562992308 491206827 /nfs/dbraw/zinc/20/68/27/491206827.db2.gz OMVAIMQKTCRXBK-MRXNPFEDSA-N 2 0 355.504 0.178 10 0 FCAERP Cc1noc(CCNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000263644214 488615003 /nfs/dbraw/zinc/61/50/03/488615003.db2.gz BATMJADSKOQOOI-UHFFFAOYSA-N 2 0 373.461 0.827 10 0 FCAERP O=C(C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000129633525 488632377 /nfs/dbraw/zinc/63/23/77/488632377.db2.gz GVIAEHOLBPWJRR-INIZCTEOSA-N 2 0 350.507 0.384 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000273158288 488635536 /nfs/dbraw/zinc/63/55/36/488635536.db2.gz YKLWHEVMBAUEAJ-HXUWFJFHSA-N 2 0 374.529 0.890 10 0 FCAERP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@@H]3[C@H](CCC[NH+]3C)C1)c(=O)n2C ZINC000139842158 488685549 /nfs/dbraw/zinc/68/55/49/488685549.db2.gz YCHPXVWVKWHJLF-HUUCEWRRSA-N 2 0 374.489 0.240 10 0 FCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151699901 488708924 /nfs/dbraw/zinc/70/89/24/488708924.db2.gz SKJLBFVTWAHXFX-CQSZACIVSA-N 2 0 352.483 0.476 10 0 FCAERP Cc1nc(C)c(CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(=O)[nH]1 ZINC000154318826 488741423 /nfs/dbraw/zinc/74/14/23/488741423.db2.gz YCIHSZFWAFPJRU-SJPCQFCGSA-N 2 0 373.501 0.699 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC(CO)CC2)C1 ZINC000156275931 488763790 /nfs/dbraw/zinc/76/37/90/488763790.db2.gz MPWPUYDQEHSTKT-DAWZGUTISA-N 2 0 355.523 0.942 10 0 FCAERP CC[N@@H+]1CC[C@H](CNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000158273377 488776996 /nfs/dbraw/zinc/77/69/96/488776996.db2.gz HBTSOJODICQECO-QGZVFWFLSA-N 2 0 373.501 0.968 10 0 FCAERP C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000172306239 488832488 /nfs/dbraw/zinc/83/24/88/488832488.db2.gz KSELXZGSAAGXDB-SFHVURJKSA-N 2 0 373.501 0.977 10 0 FCAERP CC[C@H](CO)[NH+]1CCN(C/C=C/CN2CC[NH+]([C@@H](CC)CO)CC2)CC1 ZINC000173747382 488845045 /nfs/dbraw/zinc/84/50/45/488845045.db2.gz IEODZPMKUOSGLW-VGIQHARFSA-N 2 0 368.566 0.320 10 0 FCAERP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000174729672 488850815 /nfs/dbraw/zinc/85/08/15/488850815.db2.gz NLFLUBRFNBDDFI-ZWKOTPCHSA-N 2 0 352.523 0.726 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176184077 488857637 /nfs/dbraw/zinc/85/76/37/488857637.db2.gz PQKOXTBJPRHYON-IRXDYDNUSA-N 2 0 354.495 0.461 10 0 FCAERP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000176323936 488858206 /nfs/dbraw/zinc/85/82/06/488858206.db2.gz HWFLNAWABAKBGC-OAHLLOKOSA-N 2 0 374.551 0.048 10 0 FCAERP CC[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@@H+]1CCOC ZINC000179316006 488861019 /nfs/dbraw/zinc/86/10/19/488861019.db2.gz GVZGIBRXEWLCCE-KRWDZBQOSA-N 2 0 369.554 0.765 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000365405175 489072479 /nfs/dbraw/zinc/07/24/79/489072479.db2.gz RUHMNPFRBUBRNL-ZWKOTPCHSA-N 2 0 354.539 0.876 10 0 FCAERP C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC(=O)N1C ZINC000281739214 489102497 /nfs/dbraw/zinc/10/24/97/489102497.db2.gz BEOGJQOQKKVRNO-INIZCTEOSA-N 2 0 374.489 0.466 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000570329272 491233653 /nfs/dbraw/zinc/23/36/53/491233653.db2.gz DWWWZYHBWKAVCO-OAHLLOKOSA-N 2 0 355.479 0.666 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[C@H](C)C1 ZINC000570377711 491237252 /nfs/dbraw/zinc/23/72/52/491237252.db2.gz UIWHJZBMOPMMMT-ZACQAIPSSA-N 2 0 350.507 0.872 10 0 FCAERP COC(=O)C1(N(C)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCCC1 ZINC000370758030 489397680 /nfs/dbraw/zinc/39/76/80/489397680.db2.gz QQTSXDFYVFEPRR-MRXNPFEDSA-N 2 0 369.506 0.877 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000363599774 489482519 /nfs/dbraw/zinc/48/25/19/489482519.db2.gz GQKQUKQNVBDXOM-DLBZAZTESA-N 2 0 368.522 0.437 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423089542 489492542 /nfs/dbraw/zinc/49/25/42/489492542.db2.gz VJGXUDWKWNLIML-LJQANCHMSA-N 2 0 350.507 0.779 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423262173 489508418 /nfs/dbraw/zinc/50/84/18/489508418.db2.gz LWGMNQJRTXBORS-CRAIPNDOSA-N 2 0 356.511 0.247 10 0 FCAERP CN(C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000423266087 489508896 /nfs/dbraw/zinc/50/88/96/489508896.db2.gz CRSASBAXFLITGP-OKZBNKHCSA-N 2 0 374.460 0.774 10 0 FCAERP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000451793721 489524348 /nfs/dbraw/zinc/52/43/48/489524348.db2.gz WHSDVJVGXSJTEV-BBWFWOEESA-N 2 0 369.506 0.781 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCN(C)C(=O)C1 ZINC000425843347 489533267 /nfs/dbraw/zinc/53/32/67/489533267.db2.gz ODRLMUHQZYQZJP-IRXDYDNUSA-N 2 0 367.538 0.912 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415603029 489535884 /nfs/dbraw/zinc/53/58/84/489535884.db2.gz AAJISLZKXMVGOA-MAUKXSAKSA-N 2 0 373.501 0.487 10 0 FCAERP C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cccc21 ZINC000415818862 489555017 /nfs/dbraw/zinc/55/50/17/489555017.db2.gz WHFZXFCJBYBNRD-KCXAZCMYSA-N 2 0 358.442 0.831 10 0 FCAERP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000372399085 489580984 /nfs/dbraw/zinc/58/09/84/489580984.db2.gz BHMQKMLTSFOMOD-MHORFTMASA-N 2 0 350.507 0.430 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417179372 489644367 /nfs/dbraw/zinc/64/43/67/489644367.db2.gz FOECNLAZLARICR-RBUKOAKNSA-N 2 0 359.518 0.848 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417384341 489651165 /nfs/dbraw/zinc/65/11/65/489651165.db2.gz KZBILTLWPHRNFH-WMZOPIPTSA-N 3 0 360.506 0.891 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000417476188 489655473 /nfs/dbraw/zinc/65/54/73/489655473.db2.gz PZXLPAOAPZLNJH-WMLDXEAASA-N 2 0 361.490 0.775 10 0 FCAERP CCN1CC[NH+](CCCCNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000457752232 489655920 /nfs/dbraw/zinc/65/59/20/489655920.db2.gz WXKSWMOPKOXREF-SFHVURJKSA-N 2 0 369.554 0.550 10 0 FCAERP CCOC1CC(CNC(=O)NCC[C@H]2CCC[NH2+]C2)(N2CCOCC2)C1 ZINC000418086058 489678139 /nfs/dbraw/zinc/67/81/39/489678139.db2.gz XSVQZCJRYMBSMK-LRYGQEGESA-N 2 0 368.522 0.945 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)C(=O)NCC[NH+](C)C ZINC000418340040 489692816 /nfs/dbraw/zinc/69/28/16/489692816.db2.gz LBZZUPWGBDRMLI-OAGGEKHMSA-N 2 0 355.527 0.766 10 0 FCAERP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1C[NH2+]CCC1(F)F ZINC000418620389 489710839 /nfs/dbraw/zinc/71/08/39/489710839.db2.gz QRQAPKISPVYUDZ-UWVGGRQHSA-N 2 0 359.343 0.119 10 0 FCAERP C[C@]1(CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000418810996 489733416 /nfs/dbraw/zinc/73/34/16/489733416.db2.gz HRUOSUWIWRSUGW-YLJYHZDGSA-N 2 0 358.486 0.965 10 0 FCAERP CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000418841303 489750995 /nfs/dbraw/zinc/75/09/95/489750995.db2.gz AGKLWOVHJREGPQ-UHFFFAOYSA-N 2 0 362.518 0.857 10 0 FCAERP COCC[N@H+](C)CCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000474298436 489751806 /nfs/dbraw/zinc/75/18/06/489751806.db2.gz JCTAISBSOJPWLB-UHFFFAOYSA-N 2 0 351.451 0.500 10 0 FCAERP CCCN(C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000418877031 489770832 /nfs/dbraw/zinc/77/08/32/489770832.db2.gz NUFJVGAWFCUUCF-MSOLQXFVSA-N 2 0 360.502 0.876 10 0 FCAERP CN1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000418899125 489781084 /nfs/dbraw/zinc/78/10/84/489781084.db2.gz BMAURERCPISJOI-LSDHHAIUSA-N 2 0 350.850 0.633 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000570986362 491278731 /nfs/dbraw/zinc/27/87/31/491278731.db2.gz AMWRUQCDFOSOGK-HLLBOEOZSA-N 2 0 365.522 0.664 10 0 FCAERP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000418971496 489808520 /nfs/dbraw/zinc/80/85/20/489808520.db2.gz XUVRRMWBIJYIMM-GXTWGEPZSA-N 2 0 350.438 0.699 10 0 FCAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419004338 489814970 /nfs/dbraw/zinc/81/49/70/489814970.db2.gz ODNVWDVQYDVGAF-GOSISDBHSA-N 2 0 374.485 0.393 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000419108185 489857856 /nfs/dbraw/zinc/85/78/56/489857856.db2.gz LVCIUFSGPOLCGQ-ZDUSSCGKSA-N 2 0 360.380 0.889 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000420043339 489891971 /nfs/dbraw/zinc/89/19/71/489891971.db2.gz RTIJFFDLPOYSKR-JYJNAYRXSA-N 2 0 366.506 0.693 10 0 FCAERP Cc1cc(N2CC[C@H]([N@@H+](C)CCCN(C)CC[NH+](C)C)C2=O)n(C)n1 ZINC000377491364 489910231 /nfs/dbraw/zinc/91/02/31/489910231.db2.gz NGCBNFOEKIMJNF-INIZCTEOSA-N 2 0 350.511 0.649 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000420108808 489914620 /nfs/dbraw/zinc/91/46/20/489914620.db2.gz AFOLUPSSCXLSIN-DAXOMENPSA-N 2 0 350.438 0.659 10 0 FCAERP CC[NH+]1CCN(c2ccc(C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)cc2)CC1 ZINC000377564578 489920880 /nfs/dbraw/zinc/92/08/80/489920880.db2.gz OAGGXYPAYSHFLW-FQEVSTJZSA-N 2 0 371.529 0.948 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000420125308 489921050 /nfs/dbraw/zinc/92/10/50/489921050.db2.gz SVYUSFIYEHCJLN-UKRRQHHQSA-N 2 0 352.504 0.753 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420133639 489924840 /nfs/dbraw/zinc/92/48/40/489924840.db2.gz CQOLMZYBPBTOHZ-RHSMWYFYSA-N 2 0 364.465 0.830 10 0 FCAERP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000477633963 489980102 /nfs/dbraw/zinc/98/01/02/489980102.db2.gz DZKIYZYVSGQXRX-ZWKOTPCHSA-N 2 0 366.554 0.044 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000477701389 489985825 /nfs/dbraw/zinc/98/58/25/489985825.db2.gz LAJUSKIKRZCFMC-WMLDXEAASA-N 2 0 350.507 0.824 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000571148291 491288261 /nfs/dbraw/zinc/28/82/61/491288261.db2.gz OEMQJVBUVZRQDQ-CQSZACIVSA-N 2 0 368.432 0.630 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC(F)(F)[C@@H](CO)C2)C1 ZINC000463224675 490005575 /nfs/dbraw/zinc/00/55/75/490005575.db2.gz FSYJXRRRKXTJKK-HUUCEWRRSA-N 2 0 363.449 0.409 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CCO)CC2)C1 ZINC000421043991 490045006 /nfs/dbraw/zinc/04/50/06/490045006.db2.gz RXIAMMSGRSCQFB-QZTJIDSGSA-N 2 0 355.523 0.944 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC[N@@H+]1C ZINC000440958888 490050628 /nfs/dbraw/zinc/05/06/28/490050628.db2.gz XBCAVDASPUUAEH-HIFRSBDPSA-N 2 0 356.430 1.147 10 0 FCAERP C[NH+](C)CCC1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000556169516 491300079 /nfs/dbraw/zinc/30/00/79/491300079.db2.gz BEBHSBUOPZZZIZ-UHFFFAOYSA-N 2 0 368.522 0.405 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000556171149 491300594 /nfs/dbraw/zinc/30/05/94/491300594.db2.gz SMIYNXWZPCPYKB-QGZVFWFLSA-N 2 0 366.506 0.159 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000465589106 490132016 /nfs/dbraw/zinc/13/20/16/490132016.db2.gz CZAMRBRYRLVXAW-QGZVFWFLSA-N 2 0 356.511 0.851 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000465869888 490148961 /nfs/dbraw/zinc/14/89/61/490148961.db2.gz FTKJQSWURUNLCR-SJORKVTESA-N 2 0 356.511 0.849 10 0 FCAERP CN(C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000465962680 490158188 /nfs/dbraw/zinc/15/81/88/490158188.db2.gz WHPOBBDBJPVNKM-GOEBONIOSA-N 2 0 351.495 0.452 10 0 FCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000408370647 490317991 /nfs/dbraw/zinc/31/79/91/490317991.db2.gz NYUVDGUHCHSIEG-GDBMZVCRSA-N 2 0 374.489 0.783 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000448601127 490366137 /nfs/dbraw/zinc/36/61/37/490366137.db2.gz PKCQCUHXECTNER-UHFFFAOYSA-N 2 0 360.506 0.153 10 0 FCAERP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000422796583 490478283 /nfs/dbraw/zinc/47/82/83/490478283.db2.gz YOGPLHSWOBTHRE-DLBZAZTESA-N 2 0 352.523 0.820 10 0 FCAERP COc1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc(OC)c1OC ZINC000564847090 491330628 /nfs/dbraw/zinc/33/06/28/491330628.db2.gz XUXAQFCECSJBIZ-HNNXBMFYSA-N 2 0 353.463 0.410 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000422977085 490508637 /nfs/dbraw/zinc/50/86/37/490508637.db2.gz WCQBLNRLZHERHT-ITNKIWFMSA-N 2 0 362.518 0.809 10 0 FCAERP C[C@@H](CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)CN1CCOCC1 ZINC000572013855 491342835 /nfs/dbraw/zinc/34/28/35/491342835.db2.gz BISBUKMSXNDQBT-AOCRQIFASA-N 2 0 367.538 0.470 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000502864352 490725876 /nfs/dbraw/zinc/72/58/76/490725876.db2.gz UCPWWKACEBWKSX-KRWDZBQOSA-N 2 0 356.511 0.755 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000487701188 490726627 /nfs/dbraw/zinc/72/66/27/490726627.db2.gz DMKXOHSNDZIVBB-ROUUACIJSA-N 2 0 368.522 0.776 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000572148992 491352521 /nfs/dbraw/zinc/35/25/21/491352521.db2.gz MURFEVWRTMYMBR-UAFMIMERSA-N 2 0 372.513 0.341 10 0 FCAERP Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1F ZINC000572236005 491357229 /nfs/dbraw/zinc/35/72/29/491357229.db2.gz RHWOYXUMEDFIJB-MRXNPFEDSA-N 2 0 352.454 0.062 10 0 FCAERP [NH3+]CC1(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCOCC1 ZINC000529318603 490850975 /nfs/dbraw/zinc/85/09/75/490850975.db2.gz TZUYNZRAHIMMJH-JKSUJKDBSA-N 2 0 354.495 0.561 10 0 FCAERP COc1cccc(N2CC[C@@H](C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2)c1 ZINC000572356578 491364692 /nfs/dbraw/zinc/36/46/92/491364692.db2.gz OHYYXMFJUPFBFQ-PKOBYXMFSA-N 2 0 362.518 0.719 10 0 FCAERP CCN(CC)C(=O)c1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000572356356 491364746 /nfs/dbraw/zinc/36/47/46/491364746.db2.gz HAMCDPPBINDOTF-LJQANCHMSA-N 2 0 362.518 0.867 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000543967902 490953337 /nfs/dbraw/zinc/95/33/37/490953337.db2.gz ZKBRSNLWENCNNS-FVQBIDKESA-N 2 0 374.489 0.693 10 0 FCAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000565315972 491369455 /nfs/dbraw/zinc/36/94/55/491369455.db2.gz SLOOVOVAEMLZMZ-WMZOPIPTSA-N 2 0 360.502 0.734 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000565317245 491369722 /nfs/dbraw/zinc/36/97/22/491369722.db2.gz LXRIBXCOYQBCPA-INIZCTEOSA-N 2 0 354.495 0.206 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000557493618 491378598 /nfs/dbraw/zinc/37/85/98/491378598.db2.gz PYRHESPOORCDQL-HZPDHXFCSA-N 2 0 354.495 0.014 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)[C@@H](C)C1 ZINC000660286456 493339359 /nfs/dbraw/zinc/33/93/59/493339359.db2.gz ZLSXERXHIXEZJC-JKSUJKDBSA-N 2 0 368.522 0.090 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000565838844 491402857 /nfs/dbraw/zinc/40/28/57/491402857.db2.gz SCDMVCSKOQHZOR-MRXNPFEDSA-N 2 0 368.522 0.452 10 0 FCAERP COC(=O)c1ccc(OCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000565938890 491408233 /nfs/dbraw/zinc/40/82/33/491408233.db2.gz RPYVRWYIXJBHHZ-MRXNPFEDSA-N 2 0 351.447 0.050 10 0 FCAERP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000566063407 491415382 /nfs/dbraw/zinc/41/53/82/491415382.db2.gz SFCJZJOYTOYFKC-SFHVURJKSA-N 3 0 350.507 0.325 10 0 FCAERP C[NH+]1CCN(C[C@@H]([NH2+]C[C@@H](O)CN2CCOCC2)c2ccccc2)CC1 ZINC000566107921 491417783 /nfs/dbraw/zinc/41/77/83/491417783.db2.gz RZMAUAONANNQJM-WOJBJXKFSA-N 2 0 362.518 0.258 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000573194347 491418287 /nfs/dbraw/zinc/41/82/87/491418287.db2.gz OIXJBIAJAZLGDT-ZACQAIPSSA-N 2 0 368.522 0.545 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)ccc1F ZINC000566175707 491423002 /nfs/dbraw/zinc/42/30/02/491423002.db2.gz AYHRXGWHTUBNHS-MRXNPFEDSA-N 2 0 350.438 0.762 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCc3c(cnn3C)C2)C1 ZINC000573334892 491426953 /nfs/dbraw/zinc/42/69/53/491426953.db2.gz ORJQJTLTLDNFEA-QGZVFWFLSA-N 2 0 363.506 0.641 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000573395368 491430882 /nfs/dbraw/zinc/43/08/82/491430882.db2.gz PONSXUXLCCDDPR-QGZVFWFLSA-N 2 0 371.522 0.541 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000573409165 491431891 /nfs/dbraw/zinc/43/18/91/491431891.db2.gz NTBLSLZNFROYMW-MRXNPFEDSA-N 2 0 369.554 0.317 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000573506344 491437534 /nfs/dbraw/zinc/43/75/34/491437534.db2.gz JERJCTMPNMEGHJ-GOEBONIOSA-N 2 0 351.495 0.323 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCN(c3ccccc3F)C2)CC1 ZINC000573835584 491458376 /nfs/dbraw/zinc/45/83/76/491458376.db2.gz RLZJVPJNPRFOPK-DLBZAZTESA-N 2 0 350.482 0.992 10 0 FCAERP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000660349154 493345026 /nfs/dbraw/zinc/34/50/26/493345026.db2.gz UTCFIZLPDDUELI-DOTOQJQBSA-N 2 0 359.474 0.671 10 0 FCAERP CCN(C(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H]1CC[N@H+](C)C1 ZINC000668388908 493345758 /nfs/dbraw/zinc/34/57/58/493345758.db2.gz NAVRFPKYRHLKMO-JKSUJKDBSA-N 2 0 354.495 0.012 10 0 FCAERP CN(C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000574625555 491509261 /nfs/dbraw/zinc/50/92/61/491509261.db2.gz MQPKPRYGFJLAAD-DQPZFDDXSA-N 2 0 350.507 0.918 10 0 FCAERP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000574910981 491527094 /nfs/dbraw/zinc/52/70/94/491527094.db2.gz JBPFVEYBLZPRMB-LISAXSMJSA-N 2 0 360.502 0.815 10 0 FCAERP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000574910979 491527101 /nfs/dbraw/zinc/52/71/01/491527101.db2.gz JBPFVEYBLZPRMB-CBZIJGRNSA-N 2 0 360.502 0.815 10 0 FCAERP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCc4ccccc4[C@H]3C[NH3+])C2)C1 ZINC000567876418 491536713 /nfs/dbraw/zinc/53/67/13/491536713.db2.gz RNBUYFJTVYBKER-YLJYHZDGSA-N 2 0 356.470 0.625 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccccc1 ZINC000560655865 491550106 /nfs/dbraw/zinc/55/01/06/491550106.db2.gz SVUBRASMBMKBEH-BPQIPLTHSA-N 2 0 356.470 0.901 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCOc2ncccc2C(F)(F)F)CC1 ZINC000575861612 491565958 /nfs/dbraw/zinc/56/59/58/491565958.db2.gz CKKMMQBLDLIQOA-CYBMUJFWSA-N 2 0 362.396 0.677 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000561120418 491575783 /nfs/dbraw/zinc/57/57/83/491575783.db2.gz FHCYGEZHYDGYHJ-ARFHVFGLSA-N 2 0 354.495 0.012 10 0 FCAERP C[NH+]1CCC[C@@H](NC(=O)c2cc(C(=O)N[C@H]3CCC[N@@H+](C)C3)ccn2)C1 ZINC000673661246 493354738 /nfs/dbraw/zinc/35/47/38/493354738.db2.gz GWZZNHULNACLBF-JKSUJKDBSA-N 2 0 359.474 0.730 10 0 FCAERP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)CC2)c1 ZINC000577486882 491625402 /nfs/dbraw/zinc/62/54/02/491625402.db2.gz PUELYNCZTHFSSG-CYBMUJFWSA-N 2 0 355.389 0.919 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000577604489 491635912 /nfs/dbraw/zinc/63/59/12/491635912.db2.gz LHSVAUUGBGDXNP-BBWFWOEESA-N 2 0 354.495 0.635 10 0 FCAERP Cc1ccc2[nH]c(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc2c1 ZINC000562278643 491664289 /nfs/dbraw/zinc/66/42/89/491664289.db2.gz RCRCUCHYQNIYNW-UHFFFAOYSA-N 2 0 374.489 0.439 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCC[NH+]2CCOC)[C@@H](C)C1 ZINC000578388257 491676054 /nfs/dbraw/zinc/67/60/54/491676054.db2.gz UXZBZCZBPYIJFC-ULQDDVLXSA-N 2 0 368.522 0.402 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000578741022 491683299 /nfs/dbraw/zinc/68/32/99/491683299.db2.gz BLVWMNCCQSPXCL-DLBZAZTESA-N 2 0 366.893 0.643 10 0 FCAERP CCNC(=O)CN1CCCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000579475198 491698654 /nfs/dbraw/zinc/69/86/54/491698654.db2.gz UHMCWUSOOXHPSF-SIXWZSSISA-N 2 0 366.506 0.189 10 0 FCAERP CCOC(=O)c1sc([C@@H](C)NC(=O)N2CCN(C)C[C@@H]2C[NH3+])nc1C ZINC000579932257 491709903 /nfs/dbraw/zinc/70/99/03/491709903.db2.gz CCDUDXAJZDXPAL-NEPJUHHUSA-N 2 0 369.491 0.974 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000580333688 491727076 /nfs/dbraw/zinc/72/70/76/491727076.db2.gz XXCHNDTYGPCORW-MSOLQXFVSA-N 3 0 366.550 0.923 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC1 ZINC000580834565 491748057 /nfs/dbraw/zinc/74/80/57/491748057.db2.gz UQOUZEKVIOLBAX-DUVNUKRYSA-N 2 0 355.504 0.519 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC(C)C2)C1 ZINC000580961925 491753374 /nfs/dbraw/zinc/75/33/74/491753374.db2.gz ILEFMVKYYBOVNT-IAGOWNOFSA-N 2 0 364.534 0.977 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000580963477 491753716 /nfs/dbraw/zinc/75/37/16/491753716.db2.gz ONAKNUBSIDYVBJ-MRXNPFEDSA-N 2 0 351.495 0.513 10 0 FCAERP CC[NH+]1CCC(CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000581898799 491789789 /nfs/dbraw/zinc/78/97/89/491789789.db2.gz METGXUMMFHAHDY-UHFFFAOYSA-N 2 0 354.495 0.063 10 0 FCAERP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000582970756 491834677 /nfs/dbraw/zinc/83/46/77/491834677.db2.gz OMNYCJBKZYHHPV-UHFFFAOYSA-N 2 0 368.522 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ZINC000617765704 492189835 /nfs/dbraw/zinc/18/98/35/492189835.db2.gz MSJFDTBRLIYZRL-UHFFFAOYSA-N 2 0 362.522 0.447 10 0 FCAERP CCC(CC)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[NH+]1CCCC1 ZINC000627453397 492301619 /nfs/dbraw/zinc/30/16/19/492301619.db2.gz MNVGRKSLAJQPNF-MRXNPFEDSA-N 2 0 368.522 0.627 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000627462766 492305846 /nfs/dbraw/zinc/30/58/46/492305846.db2.gz CDXVRJLPIMFVKQ-IRXDYDNUSA-N 2 0 368.522 0.452 10 0 FCAERP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647562372 492309685 /nfs/dbraw/zinc/30/96/85/492309685.db2.gz GLPHIDFDUMBLPO-UHFFFAOYSA-N 2 0 354.495 0.110 10 0 FCAERP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654495762 492312191 /nfs/dbraw/zinc/31/21/91/492312191.db2.gz AMTBNYCIFDSKGL-BSDSXHPESA-N 2 0 366.506 0.215 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[NH2+]1 ZINC000627478838 492315736 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GVBCQDQHYUJJMK-YESZJQIVSA-N 2 0 357.543 0.619 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)ccc1F ZINC000642265444 492346484 /nfs/dbraw/zinc/34/64/84/492346484.db2.gz QWEDJJBGEVRKGN-HNNXBMFYSA-N 2 0 350.438 0.762 10 0 FCAERP O[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC1(O)CCOCC1 ZINC000634710679 492361635 /nfs/dbraw/zinc/36/16/35/492361635.db2.gz CFFOOUNANWHNCN-MOPGFXCFSA-N 2 0 364.486 0.635 10 0 FCAERP C[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000634729776 492364858 /nfs/dbraw/zinc/36/48/58/492364858.db2.gz WHWRKGLEQSBZLH-DOTOQJQBSA-N 2 0 369.531 0.392 10 0 FCAERP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)CC1=O ZINC000627739472 492370625 /nfs/dbraw/zinc/37/06/25/492370625.db2.gz DVTIZDSLNYOUIB-INIZCTEOSA-N 2 0 366.506 0.110 10 0 FCAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000642914482 492403131 /nfs/dbraw/zinc/40/31/31/492403131.db2.gz SNUOOAQDGFHHBD-SJLPKXTDSA-N 2 0 358.486 0.978 10 0 FCAERP 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ODDCXCVPICGTSW-UHFFFAOYSA-N 2 0 352.479 0.040 10 0 FCAERP CC[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[C@H]1[NH3+] ZINC000629817573 492687036 /nfs/dbraw/zinc/68/70/36/492687036.db2.gz QNUIPJCXVZXROS-JKSUJKDBSA-N 2 0 366.506 0.286 10 0 FCAERP CC[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[C@@H]1[NH3+] ZINC000629817570 492687224 /nfs/dbraw/zinc/68/72/24/492687224.db2.gz QNUIPJCXVZXROS-CVEARBPZSA-N 2 0 366.506 0.286 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000629818063 492687875 /nfs/dbraw/zinc/68/78/75/492687875.db2.gz HTCGUSULZDXQCO-DNVCBOLYSA-N 2 0 364.490 0.040 10 0 FCAERP Cc1ccc(S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1C(N)=O ZINC000657071738 492708957 /nfs/dbraw/zinc/70/89/57/492708957.db2.gz UERKFEPWSBIZHQ-AWEZNQCLSA-N 2 0 370.519 0.644 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cccc2c1OCO2 ZINC000657071211 492709059 /nfs/dbraw/zinc/70/90/59/492709059.db2.gz IUVMYWVYDFZXSZ-ZDUSSCGKSA-N 2 0 357.476 0.966 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000657651670 492771533 /nfs/dbraw/zinc/77/15/33/492771533.db2.gz KZHXLTFFJHZSIG-OAHLLOKOSA-N 2 0 359.430 0.808 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000657651669 492771761 /nfs/dbraw/zinc/77/17/61/492771761.db2.gz KZHXLTFFJHZSIG-HNNXBMFYSA-N 2 0 359.430 0.808 10 0 FCAERP CN(Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000644646140 492796096 /nfs/dbraw/zinc/79/60/96/492796096.db2.gz PMXKDWGZJICIOW-ZWKOTPCHSA-N 2 0 369.531 0.883 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cn1 ZINC000658124373 492841784 /nfs/dbraw/zinc/84/17/84/492841784.db2.gz AGMAAGUKCWFEPL-CQSZACIVSA-N 2 0 350.467 0.372 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNS(=O)(=O)CCC[NH+](C)C)cn2)CC1 ZINC000631759668 492848517 /nfs/dbraw/zinc/84/85/17/492848517.db2.gz FBJURXPSYHMPPD-UHFFFAOYSA-N 2 0 369.535 0.595 10 0 FCAERP C[N@H+](CCNS(=O)(=O)CCCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000631813802 492857987 /nfs/dbraw/zinc/85/79/87/492857987.db2.gz ZMEVZZLMLSPGBM-UHFFFAOYSA-N 2 0 360.568 0.808 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C[C@H]1C[NH3+] ZINC000652143162 492885971 /nfs/dbraw/zinc/88/59/71/492885971.db2.gz PWZFSYGIVCOXIW-CRAIPNDOSA-N 2 0 367.538 0.550 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631924428 492887307 /nfs/dbraw/zinc/88/73/07/492887307.db2.gz VAZQMDXIPANUOC-IAGOWNOFSA-N 2 0 353.488 0.511 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000631947226 492894984 /nfs/dbraw/zinc/89/49/84/492894984.db2.gz XNOZSDYEYLXFJK-OKZBNKHCSA-N 2 0 365.499 0.511 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[C@H]1C[NH3+] ZINC000652219546 492895498 /nfs/dbraw/zinc/89/54/98/492895498.db2.gz CYTDBOLQOAJNEH-RDHHWEPZSA-N 2 0 353.511 0.208 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000645352527 492897877 /nfs/dbraw/zinc/89/78/77/492897877.db2.gz BUVOLNBWGXDIJP-LSDHHAIUSA-N 2 0 353.511 0.868 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000652284878 492906533 /nfs/dbraw/zinc/90/65/33/492906533.db2.gz DCJMDULIGGXYBS-UHFFFAOYSA-N 2 0 373.501 0.856 10 0 FCAERP CCN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658469071 492907416 /nfs/dbraw/zinc/90/74/16/492907416.db2.gz UTIJVJJABOJUNO-OAHLLOKOSA-N 2 0 350.467 0.326 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000632026651 492913630 /nfs/dbraw/zinc/91/36/30/492913630.db2.gz JVEPGKOCBQQEBC-DLBZAZTESA-N 2 0 360.568 0.616 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H](C)[C@H]2CC[NH3+])C1 ZINC000652354835 492914643 /nfs/dbraw/zinc/91/46/43/492914643.db2.gz JMYDVOHGWWUAJB-KZNAEPCWSA-N 2 0 354.539 0.909 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000658538011 492936608 /nfs/dbraw/zinc/93/66/08/492936608.db2.gz CACAPUPODHTMMZ-UHFFFAOYSA-N 2 0 362.474 0.976 10 0 FCAERP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658541767 492938911 /nfs/dbraw/zinc/93/89/11/492938911.db2.gz RAXVPGCMLIBTAI-KRWDZBQOSA-N 2 0 368.522 0.356 10 0 FCAERP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000645623987 492946162 /nfs/dbraw/zinc/94/61/62/492946162.db2.gz SAKCVVABUGVNRS-GOEBONIOSA-N 2 0 360.458 0.858 10 0 FCAERP CC1CCC([NH+]2CCN(C(=O)C(=O)N(C)CC3C[NH+](C)C3)CC2)CC1 ZINC000658575942 492963705 /nfs/dbraw/zinc/96/37/05/492963705.db2.gz BZMQNOWESDQCAM-UHFFFAOYSA-N 2 0 350.507 0.729 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000652690801 492991175 /nfs/dbraw/zinc/99/11/75/492991175.db2.gz ODVMLXGRFPMMCK-UHFFFAOYSA-N 2 0 368.547 0.709 10 0 FCAERP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)CC2)C1 ZINC000646002810 492998866 /nfs/dbraw/zinc/99/88/66/492998866.db2.gz FXPGLGGRNVLYQW-CVEARBPZSA-N 2 0 361.494 0.055 10 0 FCAERP O=S(=O)(CCC[NH+]1CCCC1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000632451408 493000254 /nfs/dbraw/zinc/00/02/54/493000254.db2.gz MFJSAUUCVVSQAD-UHFFFAOYSA-N 2 0 359.536 0.989 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000652718905 493001007 /nfs/dbraw/zinc/00/10/07/493001007.db2.gz PCDFOWQEYSORER-MRXNPFEDSA-N 2 0 358.486 0.967 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000652728166 493006454 /nfs/dbraw/zinc/00/64/54/493006454.db2.gz WKTSMCXGDOKWNS-KRWDZBQOSA-N 2 0 366.506 0.300 10 0 FCAERP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658687119 493006846 /nfs/dbraw/zinc/00/68/46/493006846.db2.gz PKFFABWNIFXTKA-KRWDZBQOSA-N 2 0 368.522 0.234 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C[C@H]1C[NH3+] ZINC000652729864 493007463 /nfs/dbraw/zinc/00/74/63/493007463.db2.gz YRWBFCGNUSBEHT-WCXIOVBPSA-N 2 0 366.506 0.282 10 0 FCAERP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658748130 493040090 /nfs/dbraw/zinc/04/00/90/493040090.db2.gz KBWMAPMLASUYNY-DOTOQJQBSA-N 2 0 366.506 0.033 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000658753177 493041613 /nfs/dbraw/zinc/04/16/13/493041613.db2.gz TWFWKRHUMIWTFD-UHFFFAOYSA-N 2 0 352.504 0.658 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658757680 493043594 /nfs/dbraw/zinc/04/35/94/493043594.db2.gz MWNSOBKVZLRLCN-JKSUJKDBSA-N 2 0 354.495 0.108 10 0 FCAERP C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)cccc21 ZINC000626882420 493048855 /nfs/dbraw/zinc/04/88/55/493048855.db2.gz KZXRDPZBSJSDNK-DOMZBBRYSA-N 2 0 362.430 0.115 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000632639213 493055898 /nfs/dbraw/zinc/05/58/98/493055898.db2.gz PKPYVPIRLIIQCL-UHFFFAOYSA-N 2 0 372.579 0.904 10 0 FCAERP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)cc2)CC1 ZINC000626908496 493059759 /nfs/dbraw/zinc/05/97/59/493059759.db2.gz BRRHHVGKESEKOB-MAUKXSAKSA-N 2 0 373.501 0.629 10 0 FCAERP [NH3+]CC1(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCOCC1 ZINC000626921036 493063938 /nfs/dbraw/zinc/06/39/38/493063938.db2.gz OSOHRBLPHHVFIU-UHFFFAOYSA-N 2 0 354.495 0.829 10 0 FCAERP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000653046217 493064527 /nfs/dbraw/zinc/06/45/27/493064527.db2.gz OJGSWWRAQSZIAA-LSDHHAIUSA-N 2 0 352.460 0.393 10 0 FCAERP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000653046215 493064599 /nfs/dbraw/zinc/06/45/99/493064599.db2.gz OJGSWWRAQSZIAA-GJZGRUSLSA-N 2 0 352.460 0.393 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)NC3(C[NH3+])CCOCC3)cn2)CC1 ZINC000626928730 493065493 /nfs/dbraw/zinc/06/54/93/493065493.db2.gz HRDSBTDBNWVWCO-UHFFFAOYSA-N 2 0 362.478 0.141 10 0 FCAERP CCC(CC)[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)[NH+]1CCOCC1 ZINC000626929803 493065625 /nfs/dbraw/zinc/06/56/25/493065625.db2.gz RAXQTMLJEDLZSA-MRXNPFEDSA-N 2 0 356.511 0.931 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000632702111 493067325 /nfs/dbraw/zinc/06/73/25/493067325.db2.gz DHQGNZVGYMZBBH-IYBDPMFKSA-N 2 0 350.507 0.920 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000658820961 493068190 /nfs/dbraw/zinc/06/81/90/493068190.db2.gz HWWHVJNKQICRGG-YESZJQIVSA-N 2 0 350.507 0.872 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000626953022 493070529 /nfs/dbraw/zinc/07/05/29/493070529.db2.gz LEXGTHDOFFZMAH-UHFFFAOYSA-N 2 0 364.494 0.211 10 0 FCAERP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000653124590 493075360 /nfs/dbraw/zinc/07/53/60/493075360.db2.gz BCKLACAZOLDSRU-JXFKEZNVSA-N 2 0 374.485 0.487 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000632723646 493077509 /nfs/dbraw/zinc/07/75/09/493077509.db2.gz FICJQRPQCIDXMA-SFHVURJKSA-N 2 0 350.507 0.873 10 0 FCAERP O=C(N1CCC(CCC[NH+]2CCOCC2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653153621 493078288 /nfs/dbraw/zinc/07/82/88/493078288.db2.gz VEPXMSYUOCYKTE-HKUYNNGSSA-N 2 0 351.491 0.573 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)CCOCC[NH3+])cc1F ZINC000627115092 493089780 /nfs/dbraw/zinc/08/97/80/493089780.db2.gz PJSZBWAVIKVTMJ-HOCLYGCPSA-N 2 0 368.453 0.897 10 0 FCAERP C[NH2+]CCOCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000627115680 493090260 /nfs/dbraw/zinc/09/02/60/493090260.db2.gz WBERYAPUSUZKNO-GDBMZVCRSA-N 2 0 368.453 0.815 10 0 FCAERP CN(C(=O)NCC1([NH3+])CCOCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627150482 493096372 /nfs/dbraw/zinc/09/63/72/493096372.db2.gz LSDSDOQDIVYINP-INIZCTEOSA-N 3 0 353.511 0.304 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627153194 493097481 /nfs/dbraw/zinc/09/74/81/493097481.db2.gz RPBMFBPNDDYLDX-INIZCTEOSA-N 2 0 353.511 0.306 10 0 FCAERP C[NH2+]CCOCCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000627173818 493101191 /nfs/dbraw/zinc/10/11/91/493101191.db2.gz GKAOYXNVBFSVCE-ROUUACIJSA-N 2 0 364.490 0.405 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cn2)CC1 ZINC000633010378 493102577 /nfs/dbraw/zinc/10/25/77/493102577.db2.gz MHGZDRMRECLUHS-KDURUIRLSA-N 2 0 374.489 0.546 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CCO1 ZINC000658927061 493112140 /nfs/dbraw/zinc/11/21/40/493112140.db2.gz LOMUVGVELLZDRW-IRXDYDNUSA-N 2 0 364.490 0.028 10 0 FCAERP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000633077949 493116786 /nfs/dbraw/zinc/11/67/86/493116786.db2.gz GCPVPVOLMMEYIH-KSZLIROESA-N 2 0 356.470 0.682 10 0 FCAERP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633093664 493122746 /nfs/dbraw/zinc/12/27/46/493122746.db2.gz VSFISNDHZGUMDU-OAHLLOKOSA-N 2 0 354.495 0.022 10 0 FCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633092618 493122776 /nfs/dbraw/zinc/12/27/76/493122776.db2.gz AOLGOEHEICSAIN-HNNXBMFYSA-N 2 0 350.463 0.900 10 0 FCAERP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000633093842 493122811 /nfs/dbraw/zinc/12/28/11/493122811.db2.gz DTOHPDZFGLQUHY-IAGOWNOFSA-N 2 0 366.506 0.287 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000633098672 493124255 /nfs/dbraw/zinc/12/42/55/493124255.db2.gz ZLGQLPFQRXGEBU-HZPDHXFCSA-N 2 0 366.506 0.143 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CCO1 ZINC000633109090 493130177 /nfs/dbraw/zinc/13/01/77/493130177.db2.gz LBVWQQRZMRMGIH-HOTGVXAUSA-N 2 0 354.495 0.286 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCOCC1 ZINC000627292394 493136862 /nfs/dbraw/zinc/13/68/62/493136862.db2.gz UDYALESVQMPRHX-QGZVFWFLSA-N 2 0 374.485 0.564 10 0 FCAERP C[C@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297315 493139303 /nfs/dbraw/zinc/13/93/03/493139303.db2.gz HJFVQGIZHYEHKB-GJZGRUSLSA-N 2 0 354.495 0.237 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000627296409 493139407 /nfs/dbraw/zinc/13/94/07/493139407.db2.gz GKUJOUBOUGAZLJ-UHFFFAOYSA-N 2 0 368.522 0.498 10 0 FCAERP C[C@H](CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[N@H+](C)C1CC1 ZINC000659078385 493141944 /nfs/dbraw/zinc/14/19/44/493141944.db2.gz IDRJPSSHYABGGE-CXAGYDPISA-N 2 0 360.458 0.885 10 0 FCAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659079863 493143056 /nfs/dbraw/zinc/14/30/56/493143056.db2.gz ONSKYYTWDDWCRF-RDJZCZTQSA-N 2 0 358.442 0.639 10 0 FCAERP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000627303936 493143392 /nfs/dbraw/zinc/14/33/92/493143392.db2.gz HNXFFVYUKWOBIX-HNNXBMFYSA-N 2 0 362.474 0.247 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CC1 ZINC000659080192 493143518 /nfs/dbraw/zinc/14/35/18/493143518.db2.gz QLSUVEMVVHWFPA-IRXDYDNUSA-N 2 0 360.458 0.742 10 0 FCAERP O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659081671 493143878 /nfs/dbraw/zinc/14/38/78/493143878.db2.gz XTTWBCHTYREOIO-KRWDZBQOSA-N 2 0 369.425 0.331 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[NH2+]1 ZINC000627306195 493143983 /nfs/dbraw/zinc/14/39/83/493143983.db2.gz RYGGHZKQKDDMPN-XBVQOTNRSA-N 2 0 366.506 0.127 10 0 FCAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000659081617 493144313 /nfs/dbraw/zinc/14/43/13/493144313.db2.gz XGZIIHGMYUVUPP-ROUUACIJSA-N 2 0 370.453 0.759 10 0 FCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627311913 493145484 /nfs/dbraw/zinc/14/54/84/493145484.db2.gz KOEZZLDZWLDZOK-NVXWUHKLSA-N 2 0 362.474 0.420 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627311837 493145601 /nfs/dbraw/zinc/14/56/01/493145601.db2.gz ISLMAMWCOUCHKZ-IYBDPMFKSA-N 2 0 370.538 0.554 10 0 FCAERP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)C2)C1 ZINC000659084449 493145837 /nfs/dbraw/zinc/14/58/37/493145837.db2.gz ZLBHLZOKYZVYCO-FXAWDEMLSA-N 2 0 372.469 0.840 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)[C@@H](C)C1 ZINC000627313355 493147408 /nfs/dbraw/zinc/14/74/08/493147408.db2.gz CBEROZHPULUMGX-HZMVEIRTSA-N 2 0 368.522 0.496 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)[C@@H](C)C1 ZINC000627313356 493147567 /nfs/dbraw/zinc/14/75/67/493147567.db2.gz CBEROZHPULUMGX-NXOAAHMSSA-N 2 0 368.522 0.496 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)[C@@H](C)C1 ZINC000627313687 493147648 /nfs/dbraw/zinc/14/76/48/493147648.db2.gz KQRAQUSVXSMXBQ-LUKYLMHMSA-N 2 0 368.522 0.496 10 0 FCAERP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000659099360 493151677 /nfs/dbraw/zinc/15/16/77/493151677.db2.gz ANVUDZZYYHGOAB-UHFFFAOYSA-N 2 0 373.457 0.465 10 0 FCAERP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659102498 493153296 /nfs/dbraw/zinc/15/32/96/493153296.db2.gz DGCSYPGRJPMLNS-IRXDYDNUSA-N 2 0 360.458 0.887 10 0 FCAERP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627325553 493154534 /nfs/dbraw/zinc/15/45/34/493154534.db2.gz NQPHXYQFRPRENC-QGZVFWFLSA-N 2 0 374.485 0.644 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627328401 493155532 /nfs/dbraw/zinc/15/55/32/493155532.db2.gz AIHVMUVTDNEYKO-CVEARBPZSA-N 2 0 350.507 0.871 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+]1CCC(C)CC1 ZINC000627332330 493156934 /nfs/dbraw/zinc/15/69/34/493156934.db2.gz XDEUTAKPKYYVKW-LZQZEXGQSA-N 2 0 350.507 0.681 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C[NH2+]1 ZINC000627332483 493157705 /nfs/dbraw/zinc/15/77/05/493157705.db2.gz AZDGETKTEUVBMM-BHIYHBOVSA-N 2 0 372.513 0.924 10 0 FCAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627332944 493157879 /nfs/dbraw/zinc/15/78/79/493157879.db2.gz OGGJMHHMCWUUJW-HNNXBMFYSA-N 2 0 354.495 0.381 10 0 FCAERP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCC12CC(C1)C[NH2+]2 ZINC000659427700 493173769 /nfs/dbraw/zinc/17/37/69/493173769.db2.gz RKHGWZXKIBLHQP-UHFFFAOYSA-N 2 0 357.502 0.855 10 0 FCAERP CC(C)[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)N1CC[NH+](C)CC1 ZINC000647170552 493173955 /nfs/dbraw/zinc/17/39/55/493173955.db2.gz DQJNNMPVWNTVGW-KRWDZBQOSA-N 2 0 372.510 0.835 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627357488 493173944 /nfs/dbraw/zinc/17/39/44/493173944.db2.gz HSPDPWCPLMJBPX-OWCLPIDISA-N 2 0 350.507 0.871 10 0 FCAERP COc1ncncc1C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000647179292 493174735 /nfs/dbraw/zinc/17/47/35/493174735.db2.gz NSJXCXLOHONZJJ-UHFFFAOYSA-N 2 0 357.462 0.967 10 0 FCAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627364495 493180444 /nfs/dbraw/zinc/18/04/44/493180444.db2.gz QDQMIYUZKKYZNO-HZPDHXFCSA-N 2 0 368.522 0.485 10 0 FCAERP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659466316 493186405 /nfs/dbraw/zinc/18/64/05/493186405.db2.gz XKROPAKECSXVHV-UHFFFAOYSA-N 2 0 365.522 0.664 10 0 FCAERP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000627377466 493186533 /nfs/dbraw/zinc/18/65/33/493186533.db2.gz JXZMVUUYMHZSTL-BGYRXZFFSA-N 2 0 358.486 0.822 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000627388521 493195782 /nfs/dbraw/zinc/19/57/82/493195782.db2.gz XUKZYCCBPMBVQA-WBVHZDCISA-N 2 0 374.485 0.390 10 0 FCAERP C[C@H]1C[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000627388097 493195810 /nfs/dbraw/zinc/19/58/10/493195810.db2.gz KUMPHUZLGVVMEF-DOTOQJQBSA-N 2 0 362.474 0.247 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000627390229 493197203 /nfs/dbraw/zinc/19/72/03/493197203.db2.gz GYTWLSPBLXCKNI-UHFFFAOYSA-N 2 0 362.474 0.119 10 0 FCAERP O=C(CN1CCNCC1=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659381391 493200345 /nfs/dbraw/zinc/20/03/45/493200345.db2.gz KLPFAMGKIRHGFW-SFHVURJKSA-N 2 0 370.497 0.837 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000627404818 493204676 /nfs/dbraw/zinc/20/46/76/493204676.db2.gz OPLWLHAQZFENAV-HOTGVXAUSA-N 2 0 366.506 0.476 10 0 FCAERP COCC[NH2+]CCNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000659528961 493206077 /nfs/dbraw/zinc/20/60/77/493206077.db2.gz VTDASTZHJGYMCX-QGZVFWFLSA-N 2 0 350.463 0.288 10 0 FCAERP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000627425717 493213736 /nfs/dbraw/zinc/21/37/36/493213736.db2.gz XXWSLGKSQZXWAJ-APIJFGDWSA-N 2 0 352.479 0.001 10 0 FCAERP CCc1ccc([C@H](CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[NH+](C)C)cc1 ZINC000659673408 493243746 /nfs/dbraw/zinc/24/37/46/493243746.db2.gz DKTMQMODXLMBCI-CMVHYPBASA-N 2 0 358.486 0.918 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[NH+](C)C)c1 ZINC000659674682 493245581 /nfs/dbraw/zinc/24/55/81/493245581.db2.gz OBEVBWVPVMNOPE-LWGFOQHQSA-N 2 0 360.458 0.282 10 0 FCAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659680911 493248771 /nfs/dbraw/zinc/24/87/71/493248771.db2.gz MQRKWJZSGFPNNT-IUGDKWEMSA-N 2 0 350.507 0.727 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1ccc(Cl)cc1 ZINC000659684523 493252172 /nfs/dbraw/zinc/25/21/72/493252172.db2.gz GHCRKNHDAKKQFH-KVIBHRHWSA-N 2 0 364.877 0.927 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659697115 493258622 /nfs/dbraw/zinc/25/86/22/493258622.db2.gz OVLKPADTBANIJY-TYJOOELLSA-N 2 0 370.497 0.963 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)Cc2ccccc2C1 ZINC000659695987 493258778 /nfs/dbraw/zinc/25/87/78/493258778.db2.gz JFXMECHPIIQBAI-UHFFFAOYSA-N 2 0 356.470 0.152 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000659698518 493259223 /nfs/dbraw/zinc/25/92/23/493259223.db2.gz PNUYQGWTXZYDSG-CMVHYPBASA-N 2 0 356.470 0.808 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000672901458 493263965 /nfs/dbraw/zinc/26/39/65/493263965.db2.gz QMHRRYNYCPYQEV-MSOLQXFVSA-N 2 0 352.523 0.774 10 0 FCAERP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659705541 493264543 /nfs/dbraw/zinc/26/45/43/493264543.db2.gz YGQQYPGOUYQWCG-QZTJIDSGSA-N 2 0 362.518 0.825 10 0 FCAERP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659705542 493264641 /nfs/dbraw/zinc/26/46/41/493264641.db2.gz YGQQYPGOUYQWCG-ROUUACIJSA-N 2 0 362.518 0.825 10 0 FCAERP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659718293 493270613 /nfs/dbraw/zinc/27/06/13/493270613.db2.gz OLQNOCXPGLZNST-WBVHZDCISA-N 2 0 358.486 0.868 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCO1 ZINC000659719257 493271373 /nfs/dbraw/zinc/27/13/73/493271373.db2.gz GHIAZFPZIXEIJO-HZPDHXFCSA-N 2 0 354.495 0.189 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CCO1 ZINC000659726730 493274152 /nfs/dbraw/zinc/27/41/52/493274152.db2.gz NATBBODJFCHGQL-INIZCTEOSA-N 2 0 354.495 0.062 10 0 FCAERP Cn1ncc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C(F)F ZINC000682222222 493280115 /nfs/dbraw/zinc/28/01/15/493280115.db2.gz KJQDJHRCOUEWSE-UHFFFAOYSA-N 2 0 360.409 0.248 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000659742396 493282261 /nfs/dbraw/zinc/28/22/61/493282261.db2.gz SOMZWVQRYXMUEP-BZUAXINKSA-N 2 0 354.495 0.045 10 0 FCAERP C[C@H]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000659744795 493283223 /nfs/dbraw/zinc/28/32/23/493283223.db2.gz LIIKDHZSVGMIIS-AFJQURTJSA-N 2 0 370.497 0.978 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000659746502 493283684 /nfs/dbraw/zinc/28/36/84/493283684.db2.gz NCLCRCOIWZUPJF-JKSUJKDBSA-N 2 0 354.495 0.047 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@H]1C[NH3+] ZINC000659755735 493286564 /nfs/dbraw/zinc/28/65/64/493286564.db2.gz LGRJTJLPWMMKPT-IAGOWNOFSA-N 2 0 366.506 0.047 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000682352114 493293518 /nfs/dbraw/zinc/29/35/18/493293518.db2.gz HKLWEBJAOMIQRY-CQSZACIVSA-N 2 0 350.467 0.372 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCN(C2CC2)C1=O ZINC000667812228 493303270 /nfs/dbraw/zinc/30/32/70/493303270.db2.gz HMLFQYYZCPPGKV-QGZVFWFLSA-N 2 0 365.522 0.761 10 0 FCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668504169 493367009 /nfs/dbraw/zinc/36/70/09/493367009.db2.gz RHKNDSDYYIIAEQ-NVXWUHKLSA-N 2 0 366.506 0.035 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000673871518 493370156 /nfs/dbraw/zinc/37/01/56/493370156.db2.gz LRRCKCQUOKNTRG-UHFFFAOYSA-N 2 0 350.467 0.773 10 0 FCAERP COCC[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660705843 493374071 /nfs/dbraw/zinc/37/40/71/493374071.db2.gz XHQUVHGDQIMPDY-QGZVFWFLSA-N 2 0 368.522 0.897 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C[NH+]1CCCC1 ZINC000668581976 493378684 /nfs/dbraw/zinc/37/86/84/493378684.db2.gz OYZRHGPFWDPFTD-DLBZAZTESA-N 2 0 368.522 0.404 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000660865729 493388863 /nfs/dbraw/zinc/38/88/63/493388863.db2.gz UFGDQXNPERDNJS-SJORKVTESA-N 2 0 367.538 0.565 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3NC(=O)CC[C@H]3C2)C1 ZINC000661605947 493451186 /nfs/dbraw/zinc/45/11/86/493451186.db2.gz SRWXVXRCBVYXFX-GVDBMIGSSA-N 2 0 366.506 0.060 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@](O)(C3CC3)C2)C1 ZINC000661636507 493453834 /nfs/dbraw/zinc/45/38/34/493453834.db2.gz UICSNBYLNQFAII-IEBWSBKVSA-N 2 0 353.507 0.696 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000669144615 493468274 /nfs/dbraw/zinc/46/82/74/493468274.db2.gz RAZJNKUBMTXORX-JKSUJKDBSA-N 2 0 370.538 0.648 10 0 FCAERP C[C@H](NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1CN(C)CCO1 ZINC000685336476 493477631 /nfs/dbraw/zinc/47/76/31/493477631.db2.gz AXVHNNYUPFPHDA-XUWVNRHRSA-N 2 0 354.495 0.201 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662146505 493492545 /nfs/dbraw/zinc/49/25/45/493492545.db2.gz VEDYESYRHQDUEH-OAHLLOKOSA-N 2 0 365.522 0.870 10 0 FCAERP c1ccc(N2CC[NH+](C[C@@H]3CCCN(C[C@H]4C[NH2+]CCO4)C3)CC2)nc1 ZINC000662264647 493501621 /nfs/dbraw/zinc/50/16/21/493501621.db2.gz RYQAOASYXQLWSJ-RBUKOAKNSA-N 2 0 359.518 0.904 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@H](C[NH3+])C(F)(F)F)C1 ZINC000662329724 493507043 /nfs/dbraw/zinc/50/70/43/493507043.db2.gz PHSQGAFYHLUTMA-CHWSQXEVSA-N 2 0 354.417 0.281 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000676128934 493526444 /nfs/dbraw/zinc/52/64/44/493526444.db2.gz GKFFBZHEXPUITD-SJORKVTESA-N 2 0 364.494 0.944 10 0 FCAERP C[NH+](C)[C@@]1(CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CCSC1 ZINC000662682779 493531490 /nfs/dbraw/zinc/53/14/90/493531490.db2.gz UXAQNTOTTOFIAU-CZUORRHYSA-N 2 0 352.508 0.760 10 0 FCAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662749510 493537196 /nfs/dbraw/zinc/53/71/96/493537196.db2.gz IXGVJKPOQQJYBZ-GJZGRUSLSA-N 2 0 352.483 0.679 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)c3cc(C(C)(C)[NH3+])no3)cn2)CC1 ZINC000662757304 493539079 /nfs/dbraw/zinc/53/90/79/493539079.db2.gz LCLJEXZWWILDBD-UHFFFAOYSA-N 2 0 358.446 0.945 10 0 FCAERP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1=O ZINC000662885738 493549589 /nfs/dbraw/zinc/54/95/89/493549589.db2.gz VWNGKBVPTSMVIC-RDJZCZTQSA-N 2 0 360.458 0.696 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[C@H]1F ZINC000662943894 493558168 /nfs/dbraw/zinc/55/81/68/493558168.db2.gz DHDQTQVZZWUXAK-XZDPQHSOSA-N 2 0 352.454 0.359 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CCO1 ZINC000662952794 493559840 /nfs/dbraw/zinc/55/98/40/493559840.db2.gz HIVSYLLCQGMCOF-JKSUJKDBSA-N 2 0 354.495 0.143 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CCO1 ZINC000662952791 493559897 /nfs/dbraw/zinc/55/98/97/493559897.db2.gz HIVSYLLCQGMCOF-HOTGVXAUSA-N 2 0 354.495 0.143 10 0 FCAERP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662953267 493560209 /nfs/dbraw/zinc/56/02/09/493560209.db2.gz LSOGLCUDZHDJDB-HZPDHXFCSA-N 2 0 354.495 0.156 10 0 FCAERP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670484173 493573296 /nfs/dbraw/zinc/57/32/96/493573296.db2.gz OKXXXKFCLBVBMT-SFHVURJKSA-N 2 0 358.486 0.978 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1 ZINC000663372311 493585481 /nfs/dbraw/zinc/58/54/81/493585481.db2.gz IYERQPTUBYELRX-VAMGGRTRSA-N 2 0 374.529 0.926 10 0 FCAERP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(CN3CCOCC3)cc2)C1 ZINC000670679352 493587986 /nfs/dbraw/zinc/58/79/86/493587986.db2.gz OZHCASDAHQTISO-GOSISDBHSA-N 2 0 374.485 0.345 10 0 FCAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)CC1 ZINC000677739153 493614512 /nfs/dbraw/zinc/61/45/12/493614512.db2.gz WVZUGUIPNDHCDY-IBGZPJMESA-N 2 0 354.539 0.170 10 0 FCAERP CCN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664141744 493639227 /nfs/dbraw/zinc/63/92/27/493639227.db2.gz BWYQYEOOUOGDEV-DLBZAZTESA-N 2 0 353.511 0.129 10 0 FCAERP CCN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000664143271 493640214 /nfs/dbraw/zinc/64/02/14/493640214.db2.gz PWIYFWIDJQGJFK-ZWKOTPCHSA-N 2 0 367.538 0.519 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)N1CCc2sccc2C1 ZINC000671150747 493643686 /nfs/dbraw/zinc/64/36/86/493643686.db2.gz IPEGGLZCDVIKPO-DZGCQCFKSA-N 2 0 364.515 0.821 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000664473011 493661856 /nfs/dbraw/zinc/66/18/56/493661856.db2.gz JMQDQCSVIPGXIP-ZWKOTPCHSA-N 3 0 369.554 0.547 10 0 FCAERP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000671389427 493663333 /nfs/dbraw/zinc/66/33/33/493663333.db2.gz CSDYJCGHUZOMSK-LSDHHAIUSA-N 2 0 350.463 0.989 10 0 FCAERP Cn1cc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000679941191 493702318 /nfs/dbraw/zinc/70/23/18/493702318.db2.gz WEVRRRZQXPHAPS-UHFFFAOYSA-N 2 0 358.450 0.222 10 0 FCAERP C[C@@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000672013163 493725053 /nfs/dbraw/zinc/72/50/53/493725053.db2.gz YZADARQXMWIGHH-ODIFPOPNSA-N 2 0 350.507 0.966 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672102387 493736097 /nfs/dbraw/zinc/73/60/97/493736097.db2.gz PXUIPAKNCJDCRF-PREGVCBESA-N 2 0 350.507 0.824 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000672164361 493739782 /nfs/dbraw/zinc/73/97/82/493739782.db2.gz YPQREROQGXFVEJ-YESZJQIVSA-N 2 0 368.522 0.593 10 0 FCAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672304783 493752274 /nfs/dbraw/zinc/75/22/74/493752274.db2.gz LPCUMWZGWCAJMM-INMHGKMJSA-N 2 0 350.507 0.966 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@H](C)C1 ZINC000672309887 493754263 /nfs/dbraw/zinc/75/42/63/493754263.db2.gz ZMQUNXPTIVHRFP-OIISXLGYSA-N 2 0 350.507 0.776 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000666123206 493758705 /nfs/dbraw/zinc/75/87/05/493758705.db2.gz QVHIFMWXKXHRTD-OAHLLOKOSA-N 2 0 369.893 0.852 10 0 FCAERP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000935975181 674336219 /nfs/dbraw/zinc/33/62/19/674336219.db2.gz FZTNOYUJNQIGDG-MLHJIOFPSA-N 2 0 351.491 0.951 10 0 FCAERP O=C(C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410438654 534808271 /nfs/dbraw/zinc/80/82/71/534808271.db2.gz FEGLOPWLQJODIO-ROUUACIJSA-N 2 0 360.502 0.936 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000419147765 535081875 /nfs/dbraw/zinc/08/18/75/535081875.db2.gz IGNHNVROMNDHOE-DLBZAZTESA-N 2 0 352.523 0.977 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)C1 ZINC000443339268 535116506 /nfs/dbraw/zinc/11/65/06/535116506.db2.gz BYIZDYNABSQCBK-BSDSXHPESA-N 2 0 355.523 0.941 10 0 FCAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422912620 535888990 /nfs/dbraw/zinc/88/89/90/535888990.db2.gz NPGFNLYXYGAVSU-OALUTQOASA-N 2 0 360.502 0.835 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CCSC1 ZINC000419593711 536140746 /nfs/dbraw/zinc/14/07/46/536140746.db2.gz YCKXLFAJYZUCDE-YOEHRIQHSA-N 2 0 350.488 0.356 10 0 FCAERP CCCCNC(=O)C1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000592823895 546668547 /nfs/dbraw/zinc/66/85/47/546668547.db2.gz BJZPVGRYOPVEDW-OAHLLOKOSA-N 2 0 352.479 0.304 10 0 FCAERP C[C@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCCC[NH+]2CCO)CCCO1 ZINC000458713400 546928697 /nfs/dbraw/zinc/92/86/97/546928697.db2.gz HMJPSFIFOWMKOX-DLBZAZTESA-N 2 0 356.511 0.633 10 0 FCAERP CN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550828795 547109140 /nfs/dbraw/zinc/10/91/40/547109140.db2.gz NLBHURDLVQVWLE-RHSMWYFYSA-N 2 0 354.520 0.235 10 0 FCAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550904305 547114767 /nfs/dbraw/zinc/11/47/67/547114767.db2.gz VIBIJFUZLLNQEC-BZUAXINKSA-N 2 0 350.507 0.966 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C)C1 ZINC000553497221 547282798 /nfs/dbraw/zinc/28/27/98/547282798.db2.gz AJRYDAXMSCOYBT-BBWFWOEESA-N 2 0 350.507 0.729 10 0 FCAERP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898990474 665921325 /nfs/dbraw/zinc/92/13/25/665921325.db2.gz IHEOXFJIJQGATB-IAGOWNOFSA-N 2 0 351.491 0.809 10 0 FCAERP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH+](C)C ZINC000937305098 664911131 /nfs/dbraw/zinc/91/11/31/664911131.db2.gz XQEXKFBHFZYZGQ-VIQHNZTISA-N 2 0 350.507 0.869 10 0 FCAERP COC(=O)[C@@H]1[C@H](C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1(F)F ZINC000894987489 664995402 /nfs/dbraw/zinc/99/54/02/664995402.db2.gz SVMJXVIFYPTADN-KBPBESRZSA-N 2 0 361.433 0.427 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc(C[NH2+]C(C)C)nn2)C1 ZINC000905789596 666037262 /nfs/dbraw/zinc/03/72/62/666037262.db2.gz VMCHFWNQOHXZTJ-MRXNPFEDSA-N 2 0 352.483 0.249 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2CN(C)CC[NH+](C)C2)[C@H](C)C1 ZINC000906711148 666063492 /nfs/dbraw/zinc/06/34/92/666063492.db2.gz KNAZCUCMHVELAB-SJLPKXTDSA-N 2 0 354.539 0.733 10 0 FCAERP CN1CC[NH+](CC2(C)CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)CC1 ZINC000907356093 666125189 /nfs/dbraw/zinc/12/51/89/666125189.db2.gz VWWBIJVUGAYHRF-VQIMIIECSA-N 2 0 352.523 0.318 10 0 FCAERP CC(C)[NH+]1CCN(CCCC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)CC1 ZINC000907780340 666161345 /nfs/dbraw/zinc/16/13/45/666161345.db2.gz APOOQEAGWYJXSL-LJQANCHMSA-N 2 0 354.539 0.708 10 0 FCAERP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000910932146 666293660 /nfs/dbraw/zinc/29/36/60/666293660.db2.gz WBKSJABODJPLJO-QZTJIDSGSA-N 2 0 354.539 0.706 10 0 FCAERP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000910932148 666293759 /nfs/dbraw/zinc/29/37/59/666293759.db2.gz WBKSJABODJPLJO-ZWKOTPCHSA-N 2 0 354.539 0.706 10 0 FCAERP CN1CCN([C@@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000923596553 666642188 /nfs/dbraw/zinc/64/21/88/666642188.db2.gz HHHHIPFSIORIJC-GJZGRUSLSA-N 2 0 372.560 0.708 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C[NH+](C)C ZINC000918535407 667124499 /nfs/dbraw/zinc/12/44/99/667124499.db2.gz BWAXOCMVHXFHHH-KURKYZTESA-N 3 0 372.579 0.473 10 0 FCAERP CCO[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C[NH+](C)C ZINC000918906411 667140548 /nfs/dbraw/zinc/14/05/48/667140548.db2.gz OBZKDYWOCYSDPW-NVXWUHKLSA-N 2 0 355.527 0.421 10 0 FCAERP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000923406741 667832566 /nfs/dbraw/zinc/83/25/66/667832566.db2.gz ZURRQURBYWTPBW-KKUMJFAQSA-N 2 0 369.535 0.205 10 0 FCAERP C[C@@H]1C[NH+](Cc2ccc(CNS(=O)(=O)C3C[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000923588850 667852948 /nfs/dbraw/zinc/85/29/48/667852948.db2.gz LVHKQDDAMWBIKT-ZIAGYGMSSA-N 2 0 353.488 0.687 10 0 FCAERP C[C@H](NS(=O)(=O)C1C[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000923602760 667876004 /nfs/dbraw/zinc/87/60/04/667876004.db2.gz FPGZAGIPAWJWMM-LBPRGKRZSA-N 2 0 356.467 0.530 10 0 FCAERP CS(=O)(=O)C1CC([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000716120221 669344241 /nfs/dbraw/zinc/34/42/41/669344241.db2.gz FBFGESLBZQSAGH-UHFFFAOYSA-N 2 0 351.516 0.969 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000843091692 670774892 /nfs/dbraw/zinc/77/48/92/670774892.db2.gz AFTKEBALNMUQLM-XJKSGUPXSA-N 2 0 372.307 0.680 10 0 FCAERP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCN(C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398863 670813079 /nfs/dbraw/zinc/81/30/79/670813079.db2.gz IMSFZMOXHBTWTB-HUUCEWRRSA-N 2 0 354.495 0.996 10 0 FCAERP CCON(C)C(=O)CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000845566413 671024122 /nfs/dbraw/zinc/02/41/22/671024122.db2.gz PDMBVCFPLTZMGF-HNNXBMFYSA-N 2 0 357.499 0.454 10 0 FCAERP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000867434717 671132068 /nfs/dbraw/zinc/13/20/68/671132068.db2.gz WCPPUYPKNLNMND-INIZCTEOSA-N 2 0 350.507 0.873 10 0 FCAERP CS(=O)(=O)N1CCC[C@@H](CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC000903508320 675935478 /nfs/dbraw/zinc/93/54/78/675935478.db2.gz CBDSFMWPTBTXSU-RYQLBKOJSA-N 2 0 370.563 0.559 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC[NH2+]1 ZINC000861642926 671977234 /nfs/dbraw/zinc/97/72/34/671977234.db2.gz LCEFBWPTUPNXSJ-GBOPCIDUSA-N 2 0 351.451 0.094 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903719208 675963490 /nfs/dbraw/zinc/96/34/90/675963490.db2.gz IYKVTJPRQAVHMV-IJLUTSLNSA-N 2 0 350.385 0.277 10 0 FCAERP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903738623 675965669 /nfs/dbraw/zinc/96/56/69/675965669.db2.gz PYTQUJLSJMSEDV-VXGBXAGGSA-N 2 0 350.385 0.135 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C[C@H]1C(F)(F)F ZINC000903738663 675965836 /nfs/dbraw/zinc/96/58/36/675965836.db2.gz RHKYKLBEWLCNLH-JHJVBQTASA-N 2 0 362.396 0.421 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000903746715 675966903 /nfs/dbraw/zinc/96/69/03/675966903.db2.gz FNHNIVNZWJBIRF-LOWDOPEQSA-N 2 0 364.412 0.523 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]23COC(=O)N2CCOC3)[C@@H](C)C1 ZINC000866524456 672280124 /nfs/dbraw/zinc/28/01/24/672280124.db2.gz KKZROKWLKZFCMA-XYJFISCASA-N 2 0 355.479 0.934 10 0 FCAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](CCOCC(F)(F)C(F)F)C1 ZINC000866711434 672291205 /nfs/dbraw/zinc/29/12/05/672291205.db2.gz KVKIKYRETCYLGT-MXWKQRLJSA-N 2 0 355.332 0.770 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)nc2F)C[C@H]1C[NH+](C)C ZINC000867589818 672343350 /nfs/dbraw/zinc/34/33/50/672343350.db2.gz KINRILPSWUQUKV-VXGBXAGGSA-N 2 0 362.446 0.720 10 0 FCAERP CCO[C@@H](CS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000867590742 672343709 /nfs/dbraw/zinc/34/37/09/672343709.db2.gz TXDGPOCFZCZRAF-ZACQAIPSSA-N 2 0 361.552 0.803 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H](C)[C@H]1C ZINC000867605485 672346986 /nfs/dbraw/zinc/34/69/86/672346986.db2.gz VTSDAPMDPWVKPA-DRRXZNNHSA-N 2 0 352.523 0.687 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCc2ccoc2)C[C@H]1C[NH+](C)C ZINC000867678466 672354490 /nfs/dbraw/zinc/35/44/90/672354490.db2.gz UJKPFBCMPJZBCZ-HZPDHXFCSA-N 2 0 350.463 0.136 10 0 FCAERP Cc1cc(O)cc(=O)n1CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020940 672461715 /nfs/dbraw/zinc/46/17/15/672461715.db2.gz XGYQDTUDVUKZST-HUUCEWRRSA-N 2 0 350.463 0.060 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)Cn2cc(Br)cn2)C[C@H]1C[NH+](C)C ZINC000870023005 672462064 /nfs/dbraw/zinc/46/20/64/672462064.db2.gz IEQGKLFGZYHDEA-CHWSQXEVSA-N 2 0 372.311 0.843 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2csc(S(C)(=O)=O)c2)C[C@H]1C[NH+](C)C ZINC000870022637 672462110 /nfs/dbraw/zinc/46/21/10/672462110.db2.gz VWTXIAZXFUKCKK-ZIAGYGMSSA-N 2 0 373.544 0.963 10 0 FCAERP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N1CCCC1=O ZINC000870023420 672462118 /nfs/dbraw/zinc/46/21/18/672462118.db2.gz XPXZJJQIMGCXNB-NUJGCVRESA-N 2 0 352.523 0.831 10 0 FCAERP C[C@@H](CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC[NH2+]CC1 ZINC000870998866 672524884 /nfs/dbraw/zinc/52/48/84/672524884.db2.gz HWQVUZUYJGHYDR-HNKHHVNMSA-N 2 0 350.463 0.406 10 0 FCAERP O=S(=O)(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000923627066 672527882 /nfs/dbraw/zinc/52/78/82/672527882.db2.gz XYDPRQRWRRMNCO-UHFFFAOYSA-N 2 0 357.451 0.560 10 0 FCAERP CN(C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC000871236957 672537821 /nfs/dbraw/zinc/53/78/21/672537821.db2.gz AYVXYMXDZAXYGB-ULQDDVLXSA-N 2 0 350.507 0.872 10 0 FCAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000872146430 672594541 /nfs/dbraw/zinc/59/45/41/672594541.db2.gz NIBQCRNMRFOOKF-LVQVYYBASA-N 2 0 351.447 0.439 10 0 FCAERP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872195982 672603758 /nfs/dbraw/zinc/60/37/58/672603758.db2.gz NSCDHTGLOYRNAL-QWHCGFSZSA-N 2 0 364.412 0.526 10 0 FCAERP Cc1nnc(CCNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000875590752 672895981 /nfs/dbraw/zinc/89/59/81/672895981.db2.gz PSAODMSOGGKCQG-ZIAGYGMSSA-N 2 0 354.524 0.770 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1C[NH+](C)C ZINC000875644403 672901470 /nfs/dbraw/zinc/90/14/70/672901470.db2.gz IJGAVECZIOAYAV-VUCRHFMTSA-N 3 0 351.539 0.992 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCN(CC(F)F)C2)C[C@H]1C[NH+](C)C ZINC000875674988 672903454 /nfs/dbraw/zinc/90/34/54/672903454.db2.gz QQYQOKIQPCJWIA-KFWWJZLASA-N 2 0 361.481 0.707 10 0 FCAERP CN1C(=S)N=NC1CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875716748 672908085 /nfs/dbraw/zinc/90/80/85/672908085.db2.gz ZKMUHDKWBPYFRX-CHWSQXEVSA-N 2 0 369.539 0.027 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC[C@@H]1C[NH3+] ZINC000926314257 673821705 /nfs/dbraw/zinc/82/17/05/673821705.db2.gz JTZBUJYIKKGGRX-BRWVUGGUSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926347069 673825152 /nfs/dbraw/zinc/82/51/52/673825152.db2.gz LHSLTOMCPBTPNJ-ZACQAIPSSA-N 2 0 350.507 0.907 10 0 FCAERP CC(C)C[C@@H]1CN(C)CCN1C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000926442707 673831516 /nfs/dbraw/zinc/83/15/16/673831516.db2.gz LSHYKXFKBLXZKB-APWZRJJASA-N 2 0 350.507 0.777 10 0 FCAERP CCO[C@@H](CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)C[NH+](C)C ZINC000926834135 673844184 /nfs/dbraw/zinc/84/41/84/673844184.db2.gz FARIQXJRMUYESE-KRWDZBQOSA-N 2 0 356.511 0.707 10 0 FCAERP CCO[C@H](CNC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)C[NH+](C)C ZINC000926852757 673845824 /nfs/dbraw/zinc/84/58/24/673845824.db2.gz ZYNXHIURWPRJQW-MRXNPFEDSA-N 2 0 356.511 0.707 10 0 FCAERP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)NC[C@H]1CCC[N@H+]1CCCO ZINC000927635183 673872289 /nfs/dbraw/zinc/87/22/89/673872289.db2.gz QATSTUIOLPRMSA-SJORKVTESA-N 2 0 354.495 0.386 10 0 FCAERP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000927808661 673882050 /nfs/dbraw/zinc/88/20/50/673882050.db2.gz DNRADZHYACILRL-BXUZGUMPSA-N 2 0 352.410 0.429 10 0 FCAERP COCCOCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000928071842 673897584 /nfs/dbraw/zinc/89/75/84/673897584.db2.gz FAVUIKAOMFWYCX-JKSUJKDBSA-N 2 0 359.536 0.667 10 0 FCAERP C[C@@H]1[C@H](NC(=O)CCSCCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000928447338 673910199 /nfs/dbraw/zinc/91/01/99/673910199.db2.gz JOGIEFJRQBHQCY-KLHDSHLOSA-N 2 0 370.563 0.917 10 0 FCAERP CC[NH+]1CCCN([C@H](C)CNC(=O)CN2CCC[N@@H+](CC)CC2)CC1 ZINC000929482648 673959031 /nfs/dbraw/zinc/95/90/31/673959031.db2.gz QWNHEKSFIWMQBQ-GOSISDBHSA-N 2 0 353.555 0.546 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)[NH+]1CCC(C)CC1 ZINC000929785066 673976710 /nfs/dbraw/zinc/97/67/10/673976710.db2.gz LIBHZOFBXCMVIM-TXPKVOOTSA-N 2 0 350.507 0.633 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCC23CC[NH+](C)CC3)CC1 ZINC000929935500 673986647 /nfs/dbraw/zinc/98/66/47/673986647.db2.gz UCARPBZNHVSHIH-UHFFFAOYSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCC[NH+](C)C[C@H](O)COc2ccccc2F)CC[N@@H+]1C ZINC001266276771 1167824452 /nfs/dbraw/zinc/82/44/52/1167824452.db2.gz AMVBXXVFPGOOTP-OWCLPIDISA-N 2 0 367.465 0.954 10 0 FCAERP [NH3+]Cc1nnc(-c2ccc(NC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)cc2)[nH]1 ZINC000579830849 1167949565 /nfs/dbraw/zinc/94/95/65/1167949565.db2.gz XKTKYVPXCKBEOD-ZDUSSCGKSA-N 2 0 367.417 0.699 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000077804020 1168297773 /nfs/dbraw/zinc/29/77/73/1168297773.db2.gz AWSRWLZRGIVAOP-UHFFFAOYSA-N 2 0 359.478 0.902 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001719581814 1168441875 /nfs/dbraw/zinc/44/18/75/1168441875.db2.gz ACBSDBQJIRYQOF-SJORKVTESA-N 2 0 350.507 0.587 10 0 FCAERP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266685720 1170066580 /nfs/dbraw/zinc/06/65/80/1170066580.db2.gz KZHBFORWLGJNFF-APIJFGDWSA-N 2 0 362.478 0.542 10 0 FCAERP CCOCCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001266909012 1170897533 /nfs/dbraw/zinc/89/75/33/1170897533.db2.gz DLPZYZGNYOUELK-RDHHWEPZSA-N 2 0 368.522 0.496 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000897742563 1192845793 /nfs/dbraw/zinc/84/57/93/1192845793.db2.gz ABWNPALXHWHIQS-SFHVURJKSA-N 2 0 369.506 0.293 10 0 FCAERP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1C[NH+](C2CCOCC2)C1 ZINC000897865004 1192848752 /nfs/dbraw/zinc/84/87/52/1192848752.db2.gz UZCCSPNHUIUMGW-HXUWFJFHSA-N 2 0 373.497 0.633 10 0 FCAERP C[NH+](C)CCCOc1cnccc1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897782090 1192846750 /nfs/dbraw/zinc/84/67/50/1192846750.db2.gz NEUHPDMMYGCQIY-KRWDZBQOSA-N 2 0 362.474 0.749 10 0 FCAERP CCN1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000897939561 1192852167 /nfs/dbraw/zinc/85/21/67/1192852167.db2.gz MUGNUAUVCCJKEZ-IXDOHACOSA-N 2 0 366.506 0.081 10 0 FCAERP CCN1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000897975141 1192852191 /nfs/dbraw/zinc/85/21/91/1192852191.db2.gz CJSXABKWLGTNOL-YJBOKZPZSA-N 2 0 373.501 0.934 10 0 FCAERP CCN1CC[C@@H]1CNC(=O)C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC000897946242 1192852478 /nfs/dbraw/zinc/85/24/78/1192852478.db2.gz NCRPDSUTMFIWOA-MRXNPFEDSA-N 2 0 374.489 0.389 10 0 FCAERP C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)C1=CC[N@H+](C)CC1 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0 355.442 0.983 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867444693 1210007039 /nfs/dbraw/zinc/00/70/39/1210007039.db2.gz NWNQQNMNPOMWQA-DLBZAZTESA-N 2 0 368.522 0.356 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867444694 1210007083 /nfs/dbraw/zinc/00/70/83/1210007083.db2.gz NWNQQNMNPOMWQA-IAGOWNOFSA-N 2 0 368.522 0.356 10 0 FCAERP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000867495306 1210009230 /nfs/dbraw/zinc/00/92/30/1210009230.db2.gz XJKSFVGWWVUWNZ-BRWVUGGUSA-N 2 0 368.522 0.068 10 0 FCAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000867550589 1210012183 /nfs/dbraw/zinc/01/21/83/1210012183.db2.gz OIGZCTKGCPGFEK-RCCFBDPRSA-N 2 0 362.518 0.729 10 0 FCAERP CN(C[C@H]1CC=CCC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867542947 1210012244 /nfs/dbraw/zinc/01/22/44/1210012244.db2.gz JGRZEDKXAPKBGF-RCCFBDPRSA-N 2 0 364.534 0.999 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H](C)[C@@H](C)O1 ZINC000867584281 1210015668 /nfs/dbraw/zinc/01/56/68/1210015668.db2.gz ZPMQBSQQXNCCPI-ZHCJQAHYSA-N 2 0 368.522 0.209 10 0 FCAERP CN(CCN1CC2(C1)CCOCC2)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000867607573 1210017014 /nfs/dbraw/zinc/01/70/14/1210017014.db2.gz PZROVUKVYMQZNN-INIZCTEOSA-N 2 0 366.506 0.110 10 0 FCAERP COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000867606222 1210017288 /nfs/dbraw/zinc/01/72/88/1210017288.db2.gz RDWYBTMIMLPQHL-CVEARBPZSA-N 2 0 366.506 0.108 10 0 FCAERP CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001490806801 1210032313 /nfs/dbraw/zinc/03/23/13/1210032313.db2.gz CZXNSJZDQGDUAO-TVFCKZIOSA-N 2 0 362.518 0.918 10 0 FCAERP CC(C)N1CCN(C(=O)C(=O)N(C)CCN2CC3(C2)CCOCC3)CC1 ZINC000867846455 1210034086 /nfs/dbraw/zinc/03/40/86/1210034086.db2.gz XJINEPMUWGLSEK-UHFFFAOYSA-N 2 0 366.506 0.110 10 0 FCAERP 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CN(C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926296343 1211528013 /nfs/dbraw/zinc/52/80/13/1211528013.db2.gz XCMADGMYNOMETJ-QZTJIDSGSA-N 2 0 358.486 0.917 10 0 FCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926308017 1211529064 /nfs/dbraw/zinc/52/90/64/1211529064.db2.gz LBXZVQTUGSBOFP-HZPDHXFCSA-N 2 0 366.506 0.143 10 0 FCAERP CN(C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000926332639 1211532702 /nfs/dbraw/zinc/53/27/02/1211532702.db2.gz LVHAKTWYXMDZTK-HOTGVXAUSA-N 2 0 364.490 0.038 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926336769 1211534223 /nfs/dbraw/zinc/53/42/23/1211534223.db2.gz DQSCBMRSCMGQGY-DOTOQJQBSA-N 2 0 366.506 0.001 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[C@@H]1C[NH3+] ZINC000926348654 1211537050 /nfs/dbraw/zinc/53/70/50/1211537050.db2.gz UYOTUFLNTGKKCA-BRWVUGGUSA-N 2 0 366.506 0.001 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC[C@@H]1C[NH3+] ZINC000926348596 1211537407 /nfs/dbraw/zinc/53/74/07/1211537407.db2.gz SSXFISJLBBFVBE-HRCADAONSA-N 2 0 366.506 0.141 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[C@H]1C[NH3+] ZINC000926369072 1211540287 /nfs/dbraw/zinc/54/02/87/1211540287.db2.gz ZUXCOSYTICRZBU-MUQADHOPSA-N 2 0 362.518 0.905 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[C@@H]1C[NH3+] ZINC000926375758 1211541221 /nfs/dbraw/zinc/54/12/21/1211541221.db2.gz UYOTUFLNTGKKCA-IXDOHACOSA-N 2 0 366.506 0.001 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000926380109 1211542510 /nfs/dbraw/zinc/54/25/10/1211542510.db2.gz LIHGBRFEHVJSDE-JKSUJKDBSA-N 2 0 366.506 0.284 10 0 FCAERP CCO[C@H](CNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)C[NH+](C)C ZINC000926834255 1211556415 /nfs/dbraw/zinc/55/64/15/1211556415.db2.gz UODRLQNVAWATJJ-MRXNPFEDSA-N 2 0 365.478 0.889 10 0 FCAERP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927639182 1211577508 /nfs/dbraw/zinc/57/75/08/1211577508.db2.gz BFNJVGQONFVOEJ-SFHVURJKSA-N 2 0 367.538 0.519 10 0 FCAERP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000927819002 1211583421 /nfs/dbraw/zinc/58/34/21/1211583421.db2.gz CINPUINYJIXUMT-QGZVFWFLSA-N 2 0 374.485 0.962 10 0 FCAERP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929244755 1211625250 /nfs/dbraw/zinc/62/52/50/1211625250.db2.gz MOSRVRJOCCNQBW-SJORKVTESA-N 2 0 366.506 0.036 10 0 FCAERP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000929244251 1211625409 /nfs/dbraw/zinc/62/54/09/1211625409.db2.gz MDNAWDCWKDOUQE-KRWDZBQOSA-N 2 0 366.506 0.348 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000929400639 1211636096 /nfs/dbraw/zinc/63/60/96/1211636096.db2.gz BZTBPHAWDGAUHN-PFRQMTDMSA-N 2 0 364.534 0.881 10 0 FCAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000929400637 1211636130 /nfs/dbraw/zinc/63/61/30/1211636130.db2.gz BZTBPHAWDGAUHN-OGNFBWPZSA-N 2 0 364.534 0.881 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000929512233 1211643517 /nfs/dbraw/zinc/64/35/17/1211643517.db2.gz ZXCBLOGEMCTASJ-YJBOKZPZSA-N 2 0 373.501 0.791 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000929746171 1211658623 /nfs/dbraw/zinc/65/86/23/1211658623.db2.gz AKIXELTUQPUJIR-RDJZCZTQSA-N 2 0 359.474 0.544 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO)C1CCCC1 ZINC000929996382 1211680133 /nfs/dbraw/zinc/68/01/33/1211680133.db2.gz KEUUSNDFBOHLPY-IRXDYDNUSA-N 2 0 366.506 0.035 10 0 FCAERP CN1CC[C@@H]1CNC(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000930057645 1211685284 /nfs/dbraw/zinc/68/52/84/1211685284.db2.gz VTJAYZZAHDNRPA-XLIONFOSSA-N 2 0 358.486 0.978 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC[N@@H+]1C ZINC000930146854 1211690807 /nfs/dbraw/zinc/69/08/07/1211690807.db2.gz XKSGKOALYJJDHT-HYVNUMGLSA-N 2 0 361.490 0.790 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC[N@@H+]1C ZINC000930146855 1211692137 /nfs/dbraw/zinc/69/21/37/1211692137.db2.gz XKSGKOALYJJDHT-OIISXLGYSA-N 2 0 361.490 0.790 10 0 FCAERP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000930366163 1211704991 /nfs/dbraw/zinc/70/49/91/1211704991.db2.gz FLRFADRPEFUREX-DJDHSFSDSA-N 2 0 374.529 0.824 10 0 FCAERP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000931023410 1211735496 /nfs/dbraw/zinc/73/54/96/1211735496.db2.gz WRFLAMLNHGKCNS-MRXNPFEDSA-N 2 0 368.522 0.402 10 0 FCAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CN(CC)CCO1 ZINC001490843029 1211959534 /nfs/dbraw/zinc/95/95/34/1211959534.db2.gz XHVHNLXYRUEIGY-NCOADZHNSA-N 2 0 366.506 0.297 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCNC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001276983617 1225786245 /nfs/dbraw/zinc/78/62/45/1225786245.db2.gz OUNCIADOWWOXTR-KLHDSHLOSA-N 2 0 367.538 0.909 10 0 FCAERP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cn1 ZINC000900832543 1218044043 /nfs/dbraw/zinc/04/40/43/1218044043.db2.gz VWDHAQVIBAMUJQ-JKSUJKDBSA-N 2 0 362.478 0.516 10 0 FCAERP CN1C[C@H](O)C[C@]1(C)C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000900926151 1218056673 /nfs/dbraw/zinc/05/66/73/1218056673.db2.gz PETVRBXAYYRWRQ-YLJYHZDGSA-N 2 0 374.485 0.397 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@H]1CC[NH3+] ZINC000903743183 1218513067 /nfs/dbraw/zinc/51/30/67/1218513067.db2.gz RSFIWMSXVFGJDN-NVXWUHKLSA-N 2 0 366.506 0.001 10 0 FCAERP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2cc(C)ccn2)CC1 ZINC000903780683 1218524981 /nfs/dbraw/zinc/52/49/81/1218524981.db2.gz BATSGBLSOXAVNP-INIZCTEOSA-N 2 0 359.474 0.639 10 0 FCAERP C[NH2+]CCN(C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)C(C)C ZINC000903808707 1218540079 /nfs/dbraw/zinc/54/00/79/1218540079.db2.gz JJYKTZBQEQMSNA-UHFFFAOYSA-N 2 0 368.522 0.404 10 0 FCAERP Cc1c(C[C@H](C[NH3+])CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cnn1C ZINC000903899678 1218561378 /nfs/dbraw/zinc/56/13/78/1218561378.db2.gz WGLFZWUXSFTOIX-SJLPKXTDSA-N 2 0 362.522 0.084 10 0 FCAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)cnn1C ZINC000903928174 1218567880 /nfs/dbraw/zinc/56/78/80/1218567880.db2.gz WYRWDQOBXUKJKI-DOTOQJQBSA-N 2 0 361.465 0.919 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000826882692 1218910260 /nfs/dbraw/zinc/91/02/60/1218910260.db2.gz MQBGCDOYZKCAKA-SJORKVTESA-N 2 0 366.506 0.299 10 0 FCAERP C[N@@H+]1C[C@H](C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)[C@@H](c2ccccc2)C1 ZINC001277178473 1225862303 /nfs/dbraw/zinc/86/23/03/1225862303.db2.gz XZPXOEROWNLHKK-IKGGRYGDSA-N 2 0 356.470 0.459 10 0 FCAERP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC001118580327 1221803368 /nfs/dbraw/zinc/80/33/68/1221803368.db2.gz BAYRXXQFJBWVFG-QGZVFWFLSA-N 2 0 366.506 0.035 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)n1 ZINC001118859629 1221836693 /nfs/dbraw/zinc/83/66/93/1221836693.db2.gz LBTBZVSANZBNRO-UHFFFAOYSA-N 2 0 372.429 0.504 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1C[NH+](C)C ZINC001119247511 1221892487 /nfs/dbraw/zinc/89/24/87/1221892487.db2.gz FQJSJWZSAZHCTI-ARFHVFGLSA-N 2 0 365.522 0.378 10 0 FCAERP CN1CC[NH+](CC2CCN(C(=O)N[C@@H]3CC[C@H]4C[N@H+](C)C[C@@H]43)CC2)CC1 ZINC001123705117 1222352828 /nfs/dbraw/zinc/35/28/28/1222352828.db2.gz JFFSRIIAALGVNO-GBESFXJTSA-N 2 0 363.550 0.996 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000841215816 1222814087 /nfs/dbraw/zinc/81/40/87/1222814087.db2.gz BQMSFVHFBDNCLV-QAPCUYQASA-N 2 0 373.501 0.881 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000843331922 1222870424 /nfs/dbraw/zinc/87/04/24/1222870424.db2.gz DLMJWABHCWQLNT-CQSZACIVSA-N 2 0 363.414 0.814 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCNC(=O)/C=C/c2ccccc2)CC1 ZINC000819290065 1245316933 /nfs/dbraw/zinc/31/69/33/1245316933.db2.gz BZVMGKGQPZMGBU-CSHXORCISA-N 2 0 360.502 0.404 10 0 FCAERP O=C(/C=C/C=C/C(=O)NCC[N@H+]1CC=CCC1)NCC[NH+]1CC=CCC1 ZINC000848021261 1245354322 /nfs/dbraw/zinc/35/43/22/1245354322.db2.gz WBDVRPRULAINHB-LQIBPGRFSA-N 2 0 358.486 0.855 10 0 FCAERP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000848604529 1245373930 /nfs/dbraw/zinc/37/39/30/1245373930.db2.gz XUAVXFOZASXOSQ-ZDUSSCGKSA-N 2 0 373.379 0.383 10 0 FCAERP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849522881 1245398063 /nfs/dbraw/zinc/39/80/63/1245398063.db2.gz PTQFGLIVFBAWKS-RCCFBDPRSA-N 2 0 363.506 0.682 10 0 FCAERP CC[NH+](CC)CCOCCNC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849571572 1245401700 /nfs/dbraw/zinc/40/17/00/1245401700.db2.gz HHWALSVIQYGKNE-ROUUACIJSA-N 2 0 365.522 0.930 10 0 FCAERP CC[N@H+](CCO)CCNC(=O)[C@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849578253 1245403475 /nfs/dbraw/zinc/40/34/75/1245403475.db2.gz LCGZBGXJMNKAAP-ZWKOTPCHSA-N 2 0 365.522 0.664 10 0 FCAERP CC(C)[N@@H+]1CC[C@@H](C(=O)NCCOCC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849578844 1245403991 /nfs/dbraw/zinc/40/39/91/1245403991.db2.gz XZGZYRCLFKVKCP-QZTJIDSGSA-N 2 0 365.522 0.928 10 0 FCAERP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)C1 ZINC000919643202 1245609991 /nfs/dbraw/zinc/60/99/91/1245609991.db2.gz RCXYSPKUIAVXTH-IAGOWNOFSA-N 2 0 368.522 0.992 10 0 FCAERP Cc1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000923416797 1245717573 /nfs/dbraw/zinc/71/75/73/1245717573.db2.gz ZWOJMRUUHPOWIQ-ONIAQPFYSA-N 2 0 361.442 0.602 10 0 FCAERP O=C(CCN1CC[NH2+]CC[NH2+]CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000923462543 1245721520 /nfs/dbraw/zinc/72/15/20/1245721520.db2.gz KIFQPJMHLORTML-UHFFFAOYSA-N 2 0 363.481 0.359 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001328207591 1265503558 /nfs/dbraw/zinc/50/35/58/1265503558.db2.gz QIXRZULSGDACSO-OIISXLGYSA-N 2 0 366.506 0.297 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N(CC2CC2)C2CCC2)C[C@H]1C[NH+](C)C ZINC001329377484 1265745226 /nfs/dbraw/zinc/74/52/26/1265745226.db2.gz BDKSNBVLNCIVJV-IAGOWNOFSA-N 2 0 364.534 0.975 10 0 FCAERP CC[C@H]1CN(C(=O)C(=O)N(C(C)=O)c2cccc3c2C[NH2+]CC3)CC[C@H]1[NH3+] ZINC001329503805 1265770470 /nfs/dbraw/zinc/77/04/70/1265770470.db2.gz DZJDJCPPYZMZGH-WMLDXEAASA-N 2 0 372.469 0.798 10 0 FCAERP C[NH2+]CC1CCN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC001330562996 1266059980 /nfs/dbraw/zinc/05/99/80/1266059980.db2.gz JHDXDKQRALQCMA-UHFFFAOYSA-N 2 0 362.478 0.546 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001521675380 1266161920 /nfs/dbraw/zinc/16/19/20/1266161920.db2.gz JVWUNADYEJVOSQ-QFBILLFUSA-N 2 0 352.523 0.975 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCCCCCC2)CC[N@@H+]1C ZINC001331713273 1266269993 /nfs/dbraw/zinc/26/99/93/1266269993.db2.gz YPEJRPGXWHEQLM-IXDOHACOSA-N 2 0 368.522 0.186 10 0 FCAERP c1nnc2ccc(N3CC[C@H]([NH2+][C@@H]4CCOC[C@@H]4[C@H]4CCC[NH2+]4)C3)nn12 ZINC001331756252 1266278950 /nfs/dbraw/zinc/27/89/50/1266278950.db2.gz QSBJRFWQWPTAHE-ZJIFWQFVSA-N 2 0 357.462 0.450 10 0 FCAERP CO[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC001335598191 1259734753 /nfs/dbraw/zinc/73/47/53/1259734753.db2.gz MSFVIBDFWLPLOU-BRWVUGGUSA-N 2 0 368.522 0.212 10 0 FCAERP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC001335693127 1259789266 /nfs/dbraw/zinc/78/92/66/1259789266.db2.gz YWSUREJKNSZRNM-AWEZNQCLSA-N 2 0 362.478 0.546 10 0 FCAERP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)CCCO1 ZINC001335962040 1259920806 /nfs/dbraw/zinc/92/08/06/1259920806.db2.gz ZUEBGUSZZSJLPL-INIZCTEOSA-N 2 0 370.538 0.650 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)c1cccc2c1C[NH2+]CC2 ZINC001261869488 1260204556 /nfs/dbraw/zinc/20/45/56/1260204556.db2.gz QXPAUFMLAOIJIF-OAHLLOKOSA-N 2 0 372.469 0.622 10 0 FCAERP CO[C@]1(C)CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001332037061 1266320795 /nfs/dbraw/zinc/32/07/95/1266320795.db2.gz OTPHMNBCHHPYJC-GPMSIDNRSA-N 2 0 368.522 0.212 10 0 FCAERP CO[C@H]1CCn2cc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)nc2C1 ZINC001262023461 1260246859 /nfs/dbraw/zinc/24/68/59/1260246859.db2.gz XWDRDEKIBALMSY-OAGGEKHMSA-N 2 0 363.506 0.656 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001264536012 1260378857 /nfs/dbraw/zinc/37/88/57/1260378857.db2.gz GNBIQTSEFOEXAW-RCCFBDPRSA-N 2 0 363.506 0.678 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC[C@H]3CCCO3)C2)CC[N@@H+]1C ZINC001265478446 1260414083 /nfs/dbraw/zinc/41/40/83/1260414083.db2.gz DQAZGBMFLRXLQS-OVYGPGRDSA-N 2 0 366.506 0.249 10 0 FCAERP 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CC[NH+]1CCN(C2CN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001522291001 1266470612 /nfs/dbraw/zinc/47/06/12/1266470612.db2.gz YAUWKXSHDLIAKO-OAQYLSRUSA-N 2 0 372.513 0.472 10 0 FCAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001529430755 1267061209 /nfs/dbraw/zinc/06/12/09/1267061209.db2.gz UWJUJQXIJQXGLS-ARFHVFGLSA-N 2 0 361.490 0.973 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3CCCC[NH+]3C)CC2)CC[N@@H+]1C ZINC001535595388 1267302762 /nfs/dbraw/zinc/30/27/62/1267302762.db2.gz NHMMAOUHFUXTOG-ARFHVFGLSA-N 2 0 350.507 0.966 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCn2ncnc21 ZINC001542449247 1267496669 /nfs/dbraw/zinc/49/66/69/1267496669.db2.gz BBJBHMUIEIMGFH-QGZVFWFLSA-N 2 0 369.473 0.879 10 0 FCAERP CC[NH+](CC)CCN(C(=O)[C@@H](C)CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001545876580 1267628104 /nfs/dbraw/zinc/62/81/04/1267628104.db2.gz FFPFPKJYPVRHHO-HOTGVXAUSA-N 2 0 361.552 0.932 10 0 FCAERP COC(=O)C1CC[NH+](CCCNC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC001338307557 1267905426 /nfs/dbraw/zinc/90/54/26/1267905426.db2.gz GERXYRRGDONNPV-UHFFFAOYSA-N 2 0 367.490 0.489 10 0 FCAERP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001339992800 1268401178 /nfs/dbraw/zinc/40/11/78/1268401178.db2.gz JLASJHBSFNQJKB-IXDOHACOSA-N 2 0 368.522 0.402 10 0 FCAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001340619523 1268606730 /nfs/dbraw/zinc/60/67/30/1268606730.db2.gz MHQVXTFQQNXGJE-MRXNPFEDSA-N 2 0 354.414 0.903 10 0 FCAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001340619522 1268606904 /nfs/dbraw/zinc/60/69/04/1268606904.db2.gz MHQVXTFQQNXGJE-INIZCTEOSA-N 2 0 354.414 0.903 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001565895768 1269508156 /nfs/dbraw/zinc/50/81/56/1269508156.db2.gz GUTAIDLHIPJADM-QKPAOTATSA-N 2 0 374.489 0.630 10 0 FCAERP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001565917750 1269516348 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COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)[NH+](C)C)c1 ZINC000418868014 489765834 /nfs/dbraw/zinc/76/58/34/489765834.db2.gz VNZSPLFDMJZCPB-WBVHZDCISA-N 2 0 362.474 0.672 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000418875294 489769772 /nfs/dbraw/zinc/76/97/72/489769772.db2.gz KGUDIDGGPNMTEI-OKYOBFRVSA-N 2 0 372.513 0.861 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C[C@H]2CCOC2)C2CC2)C1 ZINC000376737189 489788031 /nfs/dbraw/zinc/78/80/31/489788031.db2.gz PHAAIFPMEVKXDR-SJLPKXTDSA-N 2 0 353.507 0.960 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000570986361 491278741 /nfs/dbraw/zinc/27/87/41/491278741.db2.gz AMWRUQCDFOSOGK-BFYDXBDKSA-N 2 0 365.522 0.664 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000459951843 489802316 /nfs/dbraw/zinc/80/23/16/489802316.db2.gz MJVNNHLGFBJSPH-UHFFFAOYSA-N 2 0 350.507 0.875 10 0 FCAERP 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ZINC000419035157 489827066 /nfs/dbraw/zinc/82/70/66/489827066.db2.gz FLQSPWJTIVKKAJ-LTIDMASMSA-N 2 0 368.522 0.354 10 0 FCAERP CS[C@@H]1CN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1[NH+](C)C ZINC000377176849 489863745 /nfs/dbraw/zinc/86/37/45/489863745.db2.gz BQJPUJJWQTXWFB-GVDBMIGSSA-N 2 0 372.579 0.437 10 0 FCAERP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000419982133 489872067 /nfs/dbraw/zinc/87/20/67/489872067.db2.gz VAYPLSHESPFLPO-DLBZAZTESA-N 2 0 367.538 0.105 10 0 FCAERP [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000420069198 489902524 /nfs/dbraw/zinc/90/25/24/489902524.db2.gz VMPGKAYZUVZVNV-WBVHZDCISA-N 2 0 350.507 0.955 10 0 FCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420098067 489911180 /nfs/dbraw/zinc/91/11/80/489911180.db2.gz AMCHZIJLLANARJ-GDAAHCPNSA-N 2 0 370.497 0.691 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000420103899 489913224 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352.523 0.679 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000568534402 491584735 /nfs/dbraw/zinc/58/47/35/491584735.db2.gz GIWDIHSQHMDDIU-UHFFFAOYSA-N 2 0 361.490 0.935 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)cn2)CC1 ZINC000584399465 491586658 /nfs/dbraw/zinc/58/66/58/491586658.db2.gz IQYKYDLKAUSYCE-KRWDZBQOSA-N 2 0 358.490 0.869 10 0 FCAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000561239572 491588315 /nfs/dbraw/zinc/58/83/15/491588315.db2.gz YKNPFCYAKYXZSO-QFBILLFUSA-N 2 0 350.507 0.969 10 0 FCAERP CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000577230278 491605067 /nfs/dbraw/zinc/60/50/67/491605067.db2.gz ZEMMYESDELQYFW-KRWDZBQOSA-N 2 0 363.506 0.656 10 0 FCAERP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCOC2(C[NH2+]C2)C1 ZINC000576373905 491608955 /nfs/dbraw/zinc/60/89/55/491608955.db2.gz IUNPIEQSURQHFY-SFHVURJKSA-N 2 0 374.485 0.661 10 0 FCAERP O=C(NC1CCN(c2ccccn2)CC1)C(=O)N1CCN2CCCC[C@@H]2C1 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360.502 0.194 10 0 FCAERP CCN(C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1)[C@@H]1CC[N@H+](C)C1 ZINC000617554383 492175594 /nfs/dbraw/zinc/17/55/94/492175594.db2.gz APTHYZCIVOEUEA-GVDBMIGSSA-N 2 0 350.507 0.872 10 0 FCAERP CCN(C(=O)[C@@H]1C(C)[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](C)C1 ZINC000617562130 492176383 /nfs/dbraw/zinc/17/63/83/492176383.db2.gz BHDZGACLZDJFRZ-WNRNVDISSA-N 2 0 364.534 0.974 10 0 FCAERP COC(=O)[C@@]1(OC)CC[NH+](C/C=C/C[N@H+]2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC000599559414 492187280 /nfs/dbraw/zinc/18/72/80/492187280.db2.gz VCFJKYMTHKNUFD-FBLDJFESSA-N 2 0 370.446 0.070 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627427855 492292176 /nfs/dbraw/zinc/29/21/76/492292176.db2.gz PFJVZDGZHLUGKD-OAHLLOKOSA-N 2 0 354.495 0.204 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1cccc(F)c1 ZINC000654351296 492292911 /nfs/dbraw/zinc/29/29/11/492292911.db2.gz FMZOYPLCDCDNQN-GVDBMIGSSA-N 2 0 350.438 0.889 10 0 FCAERP 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CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)c1 ZINC000656300950 492579065 /nfs/dbraw/zinc/57/90/65/492579065.db2.gz FWUGGIJGETVFNU-ZWKOTPCHSA-N 2 0 374.485 0.032 10 0 FCAERP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCCO1 ZINC000656325959 492593567 /nfs/dbraw/zinc/59/35/67/492593567.db2.gz FUJHFIQAROZAAK-HRCADAONSA-N 2 0 354.495 0.060 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1=O ZINC000650303840 492629989 /nfs/dbraw/zinc/62/99/89/492629989.db2.gz SQGVNROGFGKFOR-GOSISDBHSA-N 2 0 358.486 0.883 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000650568024 492651330 /nfs/dbraw/zinc/65/13/30/492651330.db2.gz ONEIQOFRCSIBGK-SFHVURJKSA-N 2 0 373.501 0.676 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000629585203 492657533 /nfs/dbraw/zinc/65/75/33/492657533.db2.gz NGVBNSNUKVEYJY-KDURUIRLSA-N 2 0 358.490 0.447 10 0 FCAERP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000629594463 492657707 /nfs/dbraw/zinc/65/77/07/492657707.db2.gz CXNKNYBOJLUFBM-HOCLYGCPSA-N 2 0 355.504 0.999 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C(C)(C)C ZINC000650879314 492680772 /nfs/dbraw/zinc/68/07/72/492680772.db2.gz NWQHRHRTGKDRRT-HNNXBMFYSA-N 2 0 355.527 0.768 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000629805685 492681250 /nfs/dbraw/zinc/68/12/50/492681250.db2.gz OPIFBMWZKOSMCK-UHFFFAOYSA-N 2 0 364.490 0.040 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000629817855 492686869 /nfs/dbraw/zinc/68/68/69/492686869.db2.gz ZXVTXSSZRLSXMR-UHFFFAOYSA-N 2 0 366.506 0.287 10 0 FCAERP Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657574532 492761627 /nfs/dbraw/zinc/76/16/27/492761627.db2.gz YGQUGVOPZXYMJO-INIZCTEOSA-N 2 0 366.554 0.927 10 0 FCAERP Cc1ccc([C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)N2CCOCC2)o1 ZINC000644514666 492780651 /nfs/dbraw/zinc/78/06/51/492780651.db2.gz ZLZGYNPIGKNXBE-MSOLQXFVSA-N 2 0 366.506 0.159 10 0 FCAERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000631063328 492796434 /nfs/dbraw/zinc/79/64/34/492796434.db2.gz CBVITGAFJDMNNN-KRWDZBQOSA-N 2 0 350.511 0.678 10 0 FCAERP CN(C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644710876 492799917 /nfs/dbraw/zinc/79/99/17/492799917.db2.gz MHTHXQPZIYGXEC-IAGOWNOFSA-N 2 0 355.504 0.445 10 0 FCAERP CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644710885 492799947 /nfs/dbraw/zinc/79/99/47/492799947.db2.gz MHTHXQPZIYGXEC-SJORKVTESA-N 2 0 355.504 0.445 10 0 FCAERP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCC[NH2+]Cc3cccnc3)CC2)C1 ZINC000637651671 492856159 /nfs/dbraw/zinc/85/61/59/492856159.db2.gz PSCWBNMHIXYZDI-IBGZPJMESA-N 2 0 374.533 0.983 10 0 FCAERP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCC[NH2+]Cc3cccnc3)CC2)C1 ZINC000637651673 492856426 /nfs/dbraw/zinc/85/64/26/492856426.db2.gz PSCWBNMHIXYZDI-LJQANCHMSA-N 2 0 374.533 0.983 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000631912674 492879021 /nfs/dbraw/zinc/87/90/21/492879021.db2.gz SDKYZFYMLRJCCZ-CQSZACIVSA-N 2 0 363.549 0.256 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000631912380 492879152 /nfs/dbraw/zinc/87/91/52/492879152.db2.gz JLMOBHKVSQLMDO-GOSISDBHSA-N 2 0 367.515 0.601 10 0 FCAERP C[NH+](C)CCN(CCCc1ccccc1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631916575 492881640 /nfs/dbraw/zinc/88/16/40/492881640.db2.gz YQARCICLRNBCIO-SFHVURJKSA-N 2 0 369.531 0.801 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000631917542 492882619 /nfs/dbraw/zinc/88/26/19/492882619.db2.gz RCSLTADGBNCYMK-HNNXBMFYSA-N 2 0 373.544 0.868 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000631916839 492882904 /nfs/dbraw/zinc/88/29/04/492882904.db2.gz ASJXDGGXYMEOJI-MSOLQXFVSA-N 2 0 367.515 0.459 10 0 FCAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631920812 492885114 /nfs/dbraw/zinc/88/51/14/492885114.db2.gz GZFKCLDREXQPEB-IAGOWNOFSA-N 2 0 360.568 0.806 10 0 FCAERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631950867 492896844 /nfs/dbraw/zinc/89/68/44/492896844.db2.gz SMZMPKOSTRJIKJ-MSOLQXFVSA-N 2 0 367.515 0.553 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000631962492 492899303 /nfs/dbraw/zinc/89/93/03/492899303.db2.gz LBUSXRXZYYIVIT-UHFFFAOYSA-N 2 0 366.531 0.389 10 0 FCAERP C[C@@H]1C[N@H+](CCCNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CCCO1 ZINC000645474924 492911347 /nfs/dbraw/zinc/91/13/47/492911347.db2.gz WPJIQLHOSIVCIB-QGZVFWFLSA-N 2 0 368.522 0.994 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652352131 492914365 /nfs/dbraw/zinc/91/43/65/492914365.db2.gz JZTHSOAWAFZKDU-SCTDSRPQSA-N 2 0 352.523 0.520 10 0 FCAERP COc1ncc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1Cl ZINC000645518226 492919336 /nfs/dbraw/zinc/91/93/36/492919336.db2.gz ZJICPGLCMFLFNY-UHFFFAOYSA-N 2 0 364.899 0.858 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658523011 492926702 /nfs/dbraw/zinc/92/67/02/492926702.db2.gz SITKMGQIJGTKER-CVEARBPZSA-N 2 0 368.522 0.545 10 0 FCAERP Cc1cc(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)ccc1OCC[NH+](C)C ZINC000658542220 492938854 /nfs/dbraw/zinc/93/88/54/492938854.db2.gz YEIDBALYGIKJNL-UHFFFAOYSA-N 2 0 362.474 0.894 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000645622633 492946565 /nfs/dbraw/zinc/94/65/65/492946565.db2.gz OKGPNBCZYKRNPX-PBHICJAKSA-N 2 0 360.458 0.728 10 0 FCAERP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000652547320 492967073 /nfs/dbraw/zinc/96/70/73/492967073.db2.gz IGWHAHYLUDCYAL-UHFFFAOYSA-N 2 0 366.506 0.254 10 0 FCAERP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000652623008 492971760 /nfs/dbraw/zinc/97/17/60/492971760.db2.gz ZIXSMUDYFKWOLN-ZDUSSCGKSA-N 2 0 358.446 0.719 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C[C@H]1C[NH3+] ZINC000652664991 492982121 /nfs/dbraw/zinc/98/21/21/492982121.db2.gz ZDBZZSPRJDDUIT-HUUCEWRRSA-N 2 0 354.495 0.047 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652684649 492989706 /nfs/dbraw/zinc/98/97/06/492989706.db2.gz UCQXGRKXIQTGHB-NVXWUHKLSA-N 2 0 358.486 0.868 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000652687936 492991319 /nfs/dbraw/zinc/99/13/19/492991319.db2.gz QAOPYQAMNLVALT-IAGOWNOFSA-N 2 0 362.474 0.187 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000652728009 493006641 /nfs/dbraw/zinc/00/66/41/493006641.db2.gz PLDVWXWGAPPHCT-BRWVUGGUSA-N 2 0 366.506 0.286 10 0 FCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CC[NH+]3C(C)(C)C)CC[C@H]21 ZINC000658705670 493019335 /nfs/dbraw/zinc/01/93/35/493019335.db2.gz KHHMCSZKOSMRIY-BZUAXINKSA-N 2 0 350.507 0.918 10 0 FCAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626817963 493025923 /nfs/dbraw/zinc/02/59/23/493025923.db2.gz WLTJGEDAUMJPDL-BBRMVZONSA-N 2 0 360.458 0.906 10 0 FCAERP C[NH+](C)CCCS(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000632550221 493026866 /nfs/dbraw/zinc/02/68/66/493026866.db2.gz SHORAHYGEVDWCP-QGZVFWFLSA-N 2 0 355.504 0.624 10 0 FCAERP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626829163 493028967 /nfs/dbraw/zinc/02/89/67/493028967.db2.gz SUJLXBIJDQOVHF-CQSZACIVSA-N 2 0 360.458 0.955 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658801190 493058833 /nfs/dbraw/zinc/05/88/33/493058833.db2.gz GJGUZSRRSCSTQZ-DLBZAZTESA-N 2 0 350.507 0.729 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658801195 493058943 /nfs/dbraw/zinc/05/89/43/493058943.db2.gz GJGUZSRRSCSTQZ-IAGOWNOFSA-N 2 0 350.507 0.729 10 0 FCAERP CCN(C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658801367 493059881 /nfs/dbraw/zinc/05/98/81/493059881.db2.gz ARVREKRRTXEAAP-QGZVFWFLSA-N 2 0 366.506 0.110 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000658801767 493060545 /nfs/dbraw/zinc/06/05/45/493060545.db2.gz JRXZPQKKOXKMDE-IRXDYDNUSA-N 2 0 350.507 0.729 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658802451 493060608 /nfs/dbraw/zinc/06/06/08/493060608.db2.gz NPPQHEMOVMZOEQ-SJORKVTESA-N 2 0 368.522 0.498 10 0 FCAERP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000632702270 493067533 /nfs/dbraw/zinc/06/75/33/493067533.db2.gz KIIBWWSOBKJYQI-QGZVFWFLSA-N 2 0 360.502 0.936 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000626953402 493070321 /nfs/dbraw/zinc/07/03/21/493070321.db2.gz SUBGIHAVCKITPM-UHFFFAOYSA-N 2 0 362.478 0.141 10 0 FCAERP O=C([C@H]1CC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2)N1CC[NH+]2CCC1CC2 ZINC000632714776 493071466 /nfs/dbraw/zinc/07/14/66/493071466.db2.gz GVZIHOFDVIHQHZ-ROUUACIJSA-N 2 0 360.502 0.626 10 0 FCAERP O=C([C@@H]1CC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2)N1CC[NH+]2CCC1CC2 ZINC000632714774 493071543 /nfs/dbraw/zinc/07/15/43/493071543.db2.gz GVZIHOFDVIHQHZ-HDICACEKSA-N 2 0 360.502 0.626 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000658826692 493074199 /nfs/dbraw/zinc/07/41/99/493074199.db2.gz RKODSVDHKVWIOB-DLBZAZTESA-N 2 0 350.507 0.873 10 0 FCAERP CCC[N@H+](CC)CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626991612 493077046 /nfs/dbraw/zinc/07/70/46/493077046.db2.gz IZXBZWZLXZQYSP-UHFFFAOYSA-N 2 0 354.499 0.071 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000632723227 493077591 /nfs/dbraw/zinc/07/75/91/493077591.db2.gz MWTLCYCVBGCLJX-JKSUJKDBSA-N 2 0 350.507 0.872 10 0 FCAERP [NH3+]C1(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCOCC1 ZINC000627002306 493078811 /nfs/dbraw/zinc/07/88/11/493078811.db2.gz PSLPHKZYCXILOS-CVEARBPZSA-N 2 0 354.495 0.561 10 0 FCAERP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653155783 493079444 /nfs/dbraw/zinc/07/94/44/493079444.db2.gz GMXQNHTXVUQOEW-BJLQDIEVSA-N 2 0 359.470 0.630 10 0 FCAERP O=C(NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2)N[C@@H]1CC[NH2+]C1 ZINC000627009439 493080477 /nfs/dbraw/zinc/08/04/77/493080477.db2.gz IVROOFOMSRBXGG-IKGGRYGDSA-N 2 0 357.458 0.246 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[NH2+]1 ZINC000627035025 493083460 /nfs/dbraw/zinc/08/34/60/493083460.db2.gz SUADAJGRZUKVGM-MGLUKCQKSA-N 2 0 351.495 0.510 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C[C@H]1C[NH3+] ZINC000653244052 493085007 /nfs/dbraw/zinc/08/50/07/493085007.db2.gz VZZRCTDZSKDSGZ-NZSAHSFTSA-N 2 0 371.485 0.623 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cn2)CC1 ZINC000633005547 493101531 /nfs/dbraw/zinc/10/15/31/493101531.db2.gz LRRDZCRMMXMTHA-GOSISDBHSA-N 2 0 360.462 0.300 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)cn2)CC1 ZINC000633004357 493101894 /nfs/dbraw/zinc/10/18/94/493101894.db2.gz DZDSZNQZOFMKMF-CQSZACIVSA-N 2 0 362.478 0.676 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cn2)CC1 ZINC000633005633 493102430 /nfs/dbraw/zinc/10/24/30/493102430.db2.gz LWPRPWXBMDJORS-IAOVAPTHSA-N 2 0 374.489 0.674 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cn2)CC1 ZINC000633005640 493102492 /nfs/dbraw/zinc/10/24/92/493102492.db2.gz LWPRPWXBMDJORS-XKQJLSEDSA-N 2 0 374.489 0.674 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633028295 493106043 /nfs/dbraw/zinc/10/60/43/493106043.db2.gz YIFWCDWKEKAVTF-ZIAGYGMSSA-N 2 0 362.478 0.532 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658904048 493107591 /nfs/dbraw/zinc/10/75/91/493107591.db2.gz QLKKULCKXIIIOU-HZPDHXFCSA-N 2 0 366.506 0.033 10 0 FCAERP [NH3+]CCCOCCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000627216027 493108690 /nfs/dbraw/zinc/10/86/90/493108690.db2.gz NQLBFIPKPCHIGM-UHFFFAOYSA-N 2 0 356.511 0.886 10 0 FCAERP CC(C)[NH+]1CCC(N2CCN(C(=O)NCCOCCC[NH3+])CC2)CC1 ZINC000627215611 493108739 /nfs/dbraw/zinc/10/87/39/493108739.db2.gz LQYGSZWOGSXNNW-UHFFFAOYSA-N 2 0 355.527 0.552 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CCO1 ZINC000658927616 493112241 /nfs/dbraw/zinc/11/22/41/493112241.db2.gz URSQURQBSSNTPC-KRWDZBQOSA-N 2 0 368.522 0.356 10 0 FCAERP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633087662 493119639 /nfs/dbraw/zinc/11/96/39/493119639.db2.gz GVVPITRVNZOUJG-OAHLLOKOSA-N 2 0 354.495 0.286 10 0 FCAERP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000633103147 493127173 /nfs/dbraw/zinc/12/71/73/493127173.db2.gz NTUABBSDZPAASD-LSDHHAIUSA-N 2 0 352.479 0.038 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000633106117 493129377 /nfs/dbraw/zinc/12/93/77/493129377.db2.gz HIWZOHPKXOTPKA-HZPDHXFCSA-N 2 0 350.507 0.907 10 0 FCAERP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633109285 493130847 /nfs/dbraw/zinc/13/08/47/493130847.db2.gz DWOOQXQHSLDCDP-INIZCTEOSA-N 2 0 355.527 0.058 10 0 FCAERP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCCC1 ZINC000627291400 493136114 /nfs/dbraw/zinc/13/61/14/493136114.db2.gz SSOQXBCPITXYEQ-UAGQMJEPSA-N 2 0 374.485 0.815 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627292391 493136584 /nfs/dbraw/zinc/13/65/84/493136584.db2.gz UAMLVKUGKPGMJK-INIZCTEOSA-N 2 0 360.458 0.001 10 0 FCAERP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCCO1 ZINC000627296690 493139436 /nfs/dbraw/zinc/13/94/36/493139436.db2.gz PACXENOOVAYXDH-GJZGRUSLSA-N 2 0 352.479 0.004 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000653443019 493140870 /nfs/dbraw/zinc/14/08/70/493140870.db2.gz VPIJXHVEXAFFCR-KRWDZBQOSA-N 2 0 368.522 0.260 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659076250 493141379 /nfs/dbraw/zinc/14/13/79/493141379.db2.gz KMPOZKMUYTUFBH-BVGQSLNGSA-N 2 0 372.469 0.885 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000627301758 493142111 /nfs/dbraw/zinc/14/21/11/493142111.db2.gz OBHHYXLYRMHTAN-CRAIPNDOSA-N 2 0 356.511 0.308 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000627306424 493143920 /nfs/dbraw/zinc/14/39/20/493143920.db2.gz YVCSXUDOXRTEOT-YVSFHVDLSA-N 2 0 366.506 0.127 10 0 FCAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627311785 493145672 /nfs/dbraw/zinc/14/56/72/493145672.db2.gz HLNQEGQYHDHOHC-HUUCEWRRSA-N 2 0 356.511 0.341 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000627311835 493145879 /nfs/dbraw/zinc/14/58/79/493145879.db2.gz ISLMAMWCOUCHKZ-HOTGVXAUSA-N 2 0 370.538 0.554 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000627312402 493146965 /nfs/dbraw/zinc/14/69/65/493146965.db2.gz XUNKQOYCDYZUCF-BZUAXINKSA-N 2 0 356.511 0.163 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000627325289 493153798 /nfs/dbraw/zinc/15/37/98/493153798.db2.gz DQJPRPABKDZLQJ-JKSUJKDBSA-N 2 0 362.474 0.500 10 0 FCAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627333190 493157854 /nfs/dbraw/zinc/15/78/54/493157854.db2.gz WXZNHXGPYHAAPK-LZQZEXGQSA-N 2 0 350.507 0.681 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627336985 493159345 /nfs/dbraw/zinc/15/93/45/493159345.db2.gz PWECGDTVLULRFN-KRWDZBQOSA-N 2 0 362.474 0.119 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627342451 493163172 /nfs/dbraw/zinc/16/31/72/493163172.db2.gz GNWSUPCDKNFZBN-CWLKWCNXSA-N 2 0 358.486 0.880 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[NH2+]1 ZINC000627350603 493169260 /nfs/dbraw/zinc/16/92/60/493169260.db2.gz XMZMTZJRCNAKND-PBHICJAKSA-N 2 0 359.474 0.419 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000627357891 493174137 /nfs/dbraw/zinc/17/41/37/493174137.db2.gz ULDFZLYTJDFBQV-ARFHVFGLSA-N 2 0 350.438 0.801 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627364496 493179853 /nfs/dbraw/zinc/17/98/53/493179853.db2.gz QDQMIYUZKKYZNO-IYBDPMFKSA-N 2 0 368.522 0.485 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000659448369 493182425 /nfs/dbraw/zinc/18/24/25/493182425.db2.gz DJHYSLPXJAMYSW-UHFFFAOYSA-N 2 0 359.474 0.611 10 0 FCAERP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653828412 493187380 /nfs/dbraw/zinc/18/73/80/493187380.db2.gz NNAFYLIXQJKBAL-FRYIKTPZSA-N 2 0 372.513 0.516 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[NH2+]1 ZINC000627381118 493189474 /nfs/dbraw/zinc/18/94/74/493189474.db2.gz IUJRINIXBJGAHM-HOCLYGCPSA-N 2 0 359.474 0.671 10 0 FCAERP CN(C(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659364709 493197837 /nfs/dbraw/zinc/19/78/37/493197837.db2.gz OLNUQHHBKXVLHJ-IRXDYDNUSA-N 2 0 364.490 0.005 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]2COCC[NH2+]2)cc1F ZINC000659357312 493197906 /nfs/dbraw/zinc/19/79/06/493197906.db2.gz XFGJFHDJLGUENJ-DZKIICNBSA-N 2 0 351.422 0.775 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)Cc1ccc(F)cc1 ZINC000627393861 493200128 /nfs/dbraw/zinc/20/01/28/493200128.db2.gz NSHRRCUHZLKYQX-INIZCTEOSA-N 2 0 362.449 0.775 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000627399229 493203021 /nfs/dbraw/zinc/20/30/21/493203021.db2.gz JWWBYLIBGPXYKX-UHFFFAOYSA-N 2 0 366.506 0.478 10 0 FCAERP Cc1cc(NCCNC(=O)C(=O)NC2CCC([NH3+])CC2)nc(C(C)C)n1 ZINC000627403432 493203767 /nfs/dbraw/zinc/20/37/67/493203767.db2.gz GXCGCUUUAUMRCE-UHFFFAOYSA-N 2 0 362.478 0.823 10 0 FCAERP CCC[NH2+]CCNC(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000627406500 493205222 /nfs/dbraw/zinc/20/52/22/493205222.db2.gz JBXSIWIAKJNPJY-UHFFFAOYSA-N 2 0 354.495 0.206 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000627417282 493209149 /nfs/dbraw/zinc/20/91/49/493209149.db2.gz VNDQQXZYTZDSFU-CVEARBPZSA-N 2 0 366.506 0.204 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000627419837 493209916 /nfs/dbraw/zinc/20/99/16/493209916.db2.gz NLSPCLDDMVULSD-UHFFFAOYSA-N 2 0 364.490 0.126 10 0 FCAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000659556437 493212587 /nfs/dbraw/zinc/21/25/87/493212587.db2.gz XPAVCHWXILAAEO-SQNIBIBYSA-N 2 0 362.474 0.818 10 0 FCAERP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659673396 493243905 /nfs/dbraw/zinc/24/39/05/493243905.db2.gz CUOCQHSMGZVXPK-CMVHYPBASA-N 2 0 356.470 0.808 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666977716 493244109 /nfs/dbraw/zinc/24/41/09/493244109.db2.gz HLHDURCCLKBZMA-DLBZAZTESA-N 2 0 354.495 0.386 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659673712 493244241 /nfs/dbraw/zinc/24/42/41/493244241.db2.gz GLMVFIXIXGRTTC-BZUAXINKSA-N 2 0 350.438 0.173 10 0 FCAERP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659675848 493245775 /nfs/dbraw/zinc/24/57/75/493245775.db2.gz YRMIGPIRZRPRGJ-INIZCTEOSA-N 2 0 350.507 0.825 10 0 FCAERP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccco1 ZINC000659679479 493247054 /nfs/dbraw/zinc/24/70/54/493247054.db2.gz YFLHHFJPYNIXLA-MGPQQGTHSA-N 2 0 354.426 0.676 10 0 FCAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659680913 493248783 /nfs/dbraw/zinc/24/87/83/493248783.db2.gz MQRKWJZSGFPNNT-NRUSHDPLSA-N 2 0 350.507 0.727 10 0 FCAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659682005 493248877 /nfs/dbraw/zinc/24/88/77/493248877.db2.gz DNIUVLKAPGPJJE-VWZCOVNWSA-N 2 0 356.470 0.806 10 0 FCAERP O=C(NCc1ccccc1C[NH+]1CCCC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659681149 493248928 /nfs/dbraw/zinc/24/89/28/493248928.db2.gz PPQXZABMWSFKBO-UHFFFAOYSA-N 2 0 356.470 0.767 10 0 FCAERP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659684397 493251959 /nfs/dbraw/zinc/25/19/59/493251959.db2.gz IIHRBQIQYRCEKZ-MRXNPFEDSA-N 2 0 362.518 0.968 10 0 FCAERP NC(=O)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000672799761 493252398 /nfs/dbraw/zinc/25/23/98/493252398.db2.gz JXLJBODUGVPKPM-INIZCTEOSA-N 2 0 374.489 0.501 10 0 FCAERP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659687966 493253698 /nfs/dbraw/zinc/25/36/98/493253698.db2.gz QFSKLCFRHJAUIU-UHFFFAOYSA-N 2 0 350.507 0.810 10 0 FCAERP C[C@@H](CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[N@H+](C)Cc1ccccc1 ZINC000659689380 493254078 /nfs/dbraw/zinc/25/40/78/493254078.db2.gz CBWIPQDCJUYICR-FVWXCPNNSA-N 2 0 358.486 0.963 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000659689413 493254224 /nfs/dbraw/zinc/25/42/24/493254224.db2.gz CMZHEJWMALEJBX-GNZRSQJKSA-N 2 0 356.470 0.717 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000659694861 493257680 /nfs/dbraw/zinc/25/76/80/493257680.db2.gz RQWKPWUBVGRDGG-GDBMZVCRSA-N 2 0 354.495 0.093 10 0 FCAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659702006 493262557 /nfs/dbraw/zinc/26/25/57/493262557.db2.gz KPKBWXDQFFCYCL-RCCFBDPRSA-N 2 0 362.518 0.968 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[C@H]1F ZINC000659704987 493264219 /nfs/dbraw/zinc/26/42/19/493264219.db2.gz USROVBVUEYCMTF-ZIAGYGMSSA-N 2 0 372.510 0.362 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000659706024 493264358 /nfs/dbraw/zinc/26/43/58/493264358.db2.gz CSDQFSUORKWJHH-XLNGHYISSA-N 2 0 362.449 0.663 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659708266 493266254 /nfs/dbraw/zinc/26/62/54/493266254.db2.gz OKHSUBLSGUAYNY-NCYVPVAZSA-N 2 0 370.497 0.881 10 0 FCAERP O=C(NCC1CC[NH+](C2CCOCC2)CC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000659712450 493268138 /nfs/dbraw/zinc/26/81/38/493268138.db2.gz FAGYDSGAZIBNKH-MRXNPFEDSA-N 2 0 366.506 0.252 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCO1 ZINC000659717372 493269227 /nfs/dbraw/zinc/26/92/27/493269227.db2.gz GOXQSABGUJIZED-DLBZAZTESA-N 2 0 368.522 0.579 10 0 FCAERP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659718001 493270130 /nfs/dbraw/zinc/27/01/30/493270130.db2.gz LEFUFXRAOIQAFJ-MRXNPFEDSA-N 2 0 354.495 0.093 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000659725973 493273859 /nfs/dbraw/zinc/27/38/59/493273859.db2.gz FVMUDTFVPPBNED-LEOABGAYSA-N 2 0 354.495 0.186 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cn1 ZINC000682180499 493275109 /nfs/dbraw/zinc/27/51/09/493275109.db2.gz BWYOOVNRGALPLF-MRXNPFEDSA-N 2 0 362.478 0.470 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659735303 493278688 /nfs/dbraw/zinc/27/86/88/493278688.db2.gz ZBFOVQWUCSSLCQ-INIZCTEOSA-N 2 0 365.522 0.003 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000659741240 493281121 /nfs/dbraw/zinc/28/11/21/493281121.db2.gz SFRBGPHWVCMBPN-UISNHOIMSA-N 2 0 368.481 0.588 10 0 FCAERP CN(C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000682232728 493281588 /nfs/dbraw/zinc/28/15/88/493281588.db2.gz LKWCGEAWRMOMAN-MRXNPFEDSA-N 2 0 354.414 0.901 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659747008 493283794 /nfs/dbraw/zinc/28/37/94/493283794.db2.gz RBAVNXZDNCYJQF-MRXNPFEDSA-N 2 0 354.495 0.047 10 0 FCAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000682273230 493284704 /nfs/dbraw/zinc/28/47/04/493284704.db2.gz LNSGSJRDDUGPTM-AWEZNQCLSA-N 2 0 350.467 0.374 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)Cc2ccccc2C1 ZINC000673096108 493289872 /nfs/dbraw/zinc/28/98/72/493289872.db2.gz MJCWARQTADFHTJ-QGZVFWFLSA-N 2 0 358.486 0.412 10 0 FCAERP C[NH+]1CCC[C@@H](NC(=O)c2cccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)c2N)C1 ZINC000668330155 493331735 /nfs/dbraw/zinc/33/17/35/493331735.db2.gz MMZUOLGNYMKOEK-GASCZTMLSA-N 2 0 373.501 0.917 10 0 FCAERP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCSC1 ZINC000668527461 493371016 /nfs/dbraw/zinc/37/10/16/493371016.db2.gz WFPKJOHWYOZAJB-CXAGYDPISA-N 2 0 356.536 0.529 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660700458 493373007 /nfs/dbraw/zinc/37/30/07/493373007.db2.gz KQNIGKJEKPVMOP-SJORKVTESA-N 2 0 354.495 0.650 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000668585184 493380380 /nfs/dbraw/zinc/38/03/80/493380380.db2.gz JBXHRIGGTZBWJX-ZACQAIPSSA-N 2 0 366.506 0.299 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](CCCOC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668787465 493410262 /nfs/dbraw/zinc/41/02/62/493410262.db2.gz AFRQWRJDNRZJHA-INIZCTEOSA-N 2 0 354.495 0.156 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](CCCOC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668787466 493410591 /nfs/dbraw/zinc/41/05/91/493410591.db2.gz AFRQWRJDNRZJHA-MRXNPFEDSA-N 2 0 354.495 0.156 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000668786869 493410674 /nfs/dbraw/zinc/41/06/74/493410674.db2.gz JFUPNCIDEXUDCF-LSDHHAIUSA-N 2 0 354.495 0.202 10 0 FCAERP CCN(C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000669178512 493473751 /nfs/dbraw/zinc/47/37/51/493473751.db2.gz FFKLNLOWIXLMRP-GOSISDBHSA-N 2 0 373.501 0.967 10 0 FCAERP C[C@H](NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CN(C)CCO1 ZINC000685336473 493477228 /nfs/dbraw/zinc/47/72/28/493477228.db2.gz AXVHNNYUPFPHDA-FZKCQIBNSA-N 2 0 354.495 0.201 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676090413 493522496 /nfs/dbraw/zinc/52/24/96/493522496.db2.gz UGYOQGRBPFUGFS-UHFFFAOYSA-N 2 0 350.467 0.372 10 0 FCAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676089880 493522597 /nfs/dbraw/zinc/52/25/97/493522597.db2.gz OHDJWIUDHCSHKN-ZDUSSCGKSA-N 2 0 354.414 0.806 10 0 FCAERP C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCSC1 ZINC000676097170 493524580 /nfs/dbraw/zinc/52/45/80/493524580.db2.gz JEYZEAUFXHDBDF-QGZVFWFLSA-N 2 0 374.470 0.759 10 0 FCAERP CC[NH+]1CCN(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000676191361 493529342 /nfs/dbraw/zinc/52/93/42/493529342.db2.gz NBMGMEQGMMNXTA-ROUUACIJSA-N 2 0 352.523 0.508 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000662742716 493535943 /nfs/dbraw/zinc/53/59/43/493535943.db2.gz GWASBMVQFQTONK-QGZVFWFLSA-N 2 0 364.465 0.975 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662788597 493542076 /nfs/dbraw/zinc/54/20/76/493542076.db2.gz MTXSWMAHXQOAEO-CVEARBPZSA-N 2 0 364.494 0.776 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]2C[NH2+]CCO2)cc1F ZINC000662870027 493548661 /nfs/dbraw/zinc/54/86/61/493548661.db2.gz SWCARDSPEVDILS-YCPHGPKFSA-N 2 0 351.422 0.775 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[C@H]1F ZINC000662940924 493557277 /nfs/dbraw/zinc/55/72/77/493557277.db2.gz LEOLBUAGNGHHAG-XMTFNYHQSA-N 2 0 374.460 0.475 10 0 FCAERP CCCN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000662949698 493559540 /nfs/dbraw/zinc/55/95/40/493559540.db2.gz WKISSFPFEAJWGG-CVEARBPZSA-N 2 0 354.495 0.156 10 0 FCAERP CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[C@H]1[NH3+] ZINC000662950493 493559836 /nfs/dbraw/zinc/55/98/36/493559836.db2.gz MDMFPCODMIVFPR-OWCLPIDISA-N 2 0 354.495 0.141 10 0 FCAERP C[NH2+]CC1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000662950788 493560195 /nfs/dbraw/zinc/56/01/95/493560195.db2.gz CJPPBKMBHRKKOZ-INIZCTEOSA-N 2 0 354.495 0.014 10 0 FCAERP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662953268 493560200 /nfs/dbraw/zinc/56/02/00/493560200.db2.gz LSOGLCUDZHDJDB-JKSUJKDBSA-N 2 0 354.495 0.156 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662963838 493562076 /nfs/dbraw/zinc/56/20/76/493562076.db2.gz YQNYCCRWPSGUTD-SJORKVTESA-N 2 0 350.507 0.777 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[N@@H+]1C ZINC000663016124 493566565 /nfs/dbraw/zinc/56/65/65/493566565.db2.gz AAZYLADZWPJTQY-OWCLPIDISA-N 2 0 360.506 0.866 10 0 FCAERP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000670527177 493576953 /nfs/dbraw/zinc/57/69/53/493576953.db2.gz KQLSTAKYNDNOCG-INIZCTEOSA-N 2 0 366.506 0.348 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)[NH+](C)C)c1 ZINC000670622797 493581071 /nfs/dbraw/zinc/58/10/71/493581071.db2.gz MTZOLMNWVAUTKP-WBVHZDCISA-N 2 0 362.474 0.625 10 0 FCAERP CCN(C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000663914904 493625107 /nfs/dbraw/zinc/62/51/07/493625107.db2.gz BONIKSLPBDIUIU-CVEARBPZSA-N 2 0 353.511 0.665 10 0 FCAERP COCC[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000663937819 493626915 /nfs/dbraw/zinc/62/69/15/493626915.db2.gz SAZZLDOLBATFPG-SFHVURJKSA-N 2 0 364.490 0.631 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671099271 493632829 /nfs/dbraw/zinc/63/28/29/493632829.db2.gz BALIOHGVLNAQIX-IAGOWNOFSA-N 2 0 350.507 0.968 10 0 FCAERP CCN(C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664143268 493640137 /nfs/dbraw/zinc/64/01/37/493640137.db2.gz PWIYFWIDJQGJFK-MSOLQXFVSA-N 2 0 367.538 0.519 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000664473009 493662042 /nfs/dbraw/zinc/66/20/42/493662042.db2.gz JMQDQCSVIPGXIP-QZTJIDSGSA-N 3 0 369.554 0.547 10 0 FCAERP C[NH+](C)C[C@](C)(O)CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665459388 493716031 /nfs/dbraw/zinc/71/60/31/493716031.db2.gz CNFSRKAZECEFQJ-GOSISDBHSA-N 2 0 356.511 0.489 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@@H](C)C1 ZINC000672309889 493754176 /nfs/dbraw/zinc/75/41/76/493754176.db2.gz ZMQUNXPTIVHRFP-UAGQMJEPSA-N 2 0 350.507 0.776 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)CC1 ZINC000413204285 528183479 /nfs/dbraw/zinc/18/34/79/528183479.db2.gz OROFRVKYSDOLCJ-MRXNPFEDSA-N 2 0 354.495 0.855 10 0 FCAERP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000419556387 535462870 /nfs/dbraw/zinc/46/28/70/535462870.db2.gz IWOGUEPOBZABFZ-DZGCQCFKSA-N 2 0 352.504 0.973 10 0 FCAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000423717747 535549563 /nfs/dbraw/zinc/54/95/63/535549563.db2.gz BIZPREFCIGWKLF-INIZCTEOSA-N 2 0 366.506 0.300 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CCSC1 ZINC000419593703 536140732 /nfs/dbraw/zinc/14/07/32/536140732.db2.gz YCKXLFAJYZUCDE-PBHICJAKSA-N 2 0 350.488 0.356 10 0 FCAERP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCC[N@H+](CCCO)C3)ccn2)CC1 ZINC000452795451 536418745 /nfs/dbraw/zinc/41/87/45/536418745.db2.gz IYLBDAZQZSBABC-QGZVFWFLSA-N 2 0 361.490 0.410 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419755147 536747027 /nfs/dbraw/zinc/74/70/27/536747027.db2.gz PYRSVAQPZCPLRL-CQSZACIVSA-N 2 0 354.495 0.250 10 0 FCAERP COCC[NH2+]CCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000418506580 546906922 /nfs/dbraw/zinc/90/69/22/546906922.db2.gz IVDDLFUOEVZBEG-SJPCQFCGSA-N 2 0 353.511 0.175 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC000551215663 547135470 /nfs/dbraw/zinc/13/54/70/547135470.db2.gz OIINJCCAEDLTAJ-CKEIUWERSA-N 2 0 356.536 0.481 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000551472614 547147236 /nfs/dbraw/zinc/14/72/36/547147236.db2.gz WKPTWBYVPJENKX-JKSUJKDBSA-N 2 0 354.495 0.062 10 0 FCAERP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000551712854 547159634 /nfs/dbraw/zinc/15/96/34/547159634.db2.gz MDUIHHCAFACHAT-NVXWUHKLSA-N 2 0 369.531 0.739 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)[C@@H](C)C1 ZINC000553735703 547304204 /nfs/dbraw/zinc/30/42/04/547304204.db2.gz ZQLLAQKSPDZNDO-XHSDSOJGSA-N 2 0 354.495 0.012 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCc2cnn(CCF)c2)C[C@H]1C[NH+](C)C ZINC000897661900 665761617 /nfs/dbraw/zinc/76/16/17/665761617.db2.gz HHWVNURCHXMONS-HZPDHXFCSA-N 2 0 354.474 0.733 10 0 FCAERP Cn1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(Br)n1 ZINC000899158965 665931048 /nfs/dbraw/zinc/93/10/48/665931048.db2.gz TVHSHNGLPXHPJJ-VXGBXAGGSA-N 2 0 372.311 0.994 10 0 FCAERP C[NH+](C)CCNC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000924887391 664901478 /nfs/dbraw/zinc/90/14/78/664901478.db2.gz QVAGSVRDTMSMMZ-UHFFFAOYSA-N 2 0 357.499 0.836 10 0 FCAERP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000913427173 666525970 /nfs/dbraw/zinc/52/59/70/666525970.db2.gz DHJFYEKFSOJDET-KRWDZBQOSA-N 2 0 354.539 0.754 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000940512825 666553895 /nfs/dbraw/zinc/55/38/95/666553895.db2.gz LLYKLTUONSFXMU-BBWFWOEESA-N 2 0 350.507 0.872 10 0 FCAERP C[NH+]1C[C@@]2(C)CN(S(=O)(=O)CCCN3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000918368189 667115648 /nfs/dbraw/zinc/11/56/48/667115648.db2.gz DXRABCQWHGCKGO-IRXDYDNUSA-N 2 0 358.552 0.227 10 0 FCAERP CCO[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C[NH+](C)C ZINC000918906412 667140418 /nfs/dbraw/zinc/14/04/18/667140418.db2.gz OBZKDYWOCYSDPW-RDJZCZTQSA-N 2 0 355.527 0.421 10 0 FCAERP C[C@H](CNC(=O)C[N@H+](C)CC1(O)CCCC1)[NH+](C)CC1(O)CCCC1 ZINC000930081122 667181305 /nfs/dbraw/zinc/18/13/05/667181305.db2.gz GIMKOUWQVGZAKM-MRXNPFEDSA-N 2 0 355.523 0.965 10 0 FCAERP C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000924025809 667221947 /nfs/dbraw/zinc/22/19/47/667221947.db2.gz QRYQMWPQZGDHSX-BRWVUGGUSA-N 2 0 353.511 0.175 10 0 FCAERP Cc1nn(C)c(=O)c(-c2nc(CN3CC[NH2+]CC[NH2+]CC3)cs2)c1C ZINC000923464087 667838163 /nfs/dbraw/zinc/83/81/63/667838163.db2.gz ZBSISODBMVOLPQ-UHFFFAOYSA-N 2 0 362.503 0.515 10 0 FCAERP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000923490146 667840868 /nfs/dbraw/zinc/84/08/68/667840868.db2.gz SKAHFIUTALIHOP-CQSZACIVSA-N 2 0 350.488 0.703 10 0 FCAERP C[C@H]1CN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1C[NH3+] ZINC000923494436 667841215 /nfs/dbraw/zinc/84/12/15/667841215.db2.gz MXHRYXMJVSZIEQ-DZGCQCFKSA-N 2 0 353.488 0.623 10 0 FCAERP CC[NH+]1CCN(Cc2ccc(CNS(=O)(=O)C3C[NH2+]C3)cc2)CC1 ZINC000923590151 667853370 /nfs/dbraw/zinc/85/33/70/667853370.db2.gz YXQNBMLUTAPAOI-UHFFFAOYSA-N 2 0 352.504 0.215 10 0 FCAERP O=S(=O)(NCCCC[NH+]1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000923592628 667854402 /nfs/dbraw/zinc/85/44/02/667854402.db2.gz ZWGJIGXPGNHKCU-UHFFFAOYSA-N 2 0 352.504 0.480 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000819198559 668987341 /nfs/dbraw/zinc/98/73/41/668987341.db2.gz RZOGLWKPTDSRCE-HOTGVXAUSA-N 2 0 356.511 0.488 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000810319654 669671411 /nfs/dbraw/zinc/67/14/11/669671411.db2.gz JUJBKNHDCURKQS-KDOFPFPSSA-N 2 0 356.486 0.903 10 0 FCAERP C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867277938 670614724 /nfs/dbraw/zinc/61/47/24/670614724.db2.gz IPXSAFYQIOPWIO-QBPKDAKJSA-N 2 0 352.523 0.689 10 0 FCAERP CC(C)Oc1ccc([C@H](O)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000843079028 670773720 /nfs/dbraw/zinc/77/37/20/670773720.db2.gz AZYXBAOJWXXNRJ-IEBWSBKVSA-N 2 0 351.491 0.705 10 0 FCAERP CC(C)[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867342352 670885582 /nfs/dbraw/zinc/88/55/82/670885582.db2.gz RMAIXIFACUXJAI-BRWVUGGUSA-N 2 0 352.523 0.831 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000846252591 671095716 /nfs/dbraw/zinc/09/57/16/671095716.db2.gz AOHVUJNIIYSNQL-HOTGVXAUSA-N 2 0 364.893 0.759 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000846252593 671095880 /nfs/dbraw/zinc/09/58/80/671095880.db2.gz AOHVUJNIIYSNQL-JKSUJKDBSA-N 2 0 364.893 0.759 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@@H](C)S1 ZINC000867410575 671100610 /nfs/dbraw/zinc/10/06/10/671100610.db2.gz AIEKERLCAPOSFR-KLHDSHLOSA-N 2 0 370.563 0.537 10 0 FCAERP C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000867413109 671101921 /nfs/dbraw/zinc/10/19/21/671101921.db2.gz VZPKAMVONKKWCV-BRWVUGGUSA-N 2 0 352.523 0.833 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@H]1C[NH3+] ZINC000846335671 671102718 /nfs/dbraw/zinc/10/27/18/671102718.db2.gz RZTSWCYRTXFBSU-UKRRQHHQSA-N 2 0 354.495 0.188 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849554860 671352702 /nfs/dbraw/zinc/35/27/02/671352702.db2.gz ONLAVYAGQUJBSY-DLBZAZTESA-N 2 0 351.495 0.540 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)C(=O)NCc1cccs1)C2 ZINC000903492061 675933337 /nfs/dbraw/zinc/93/33/37/675933337.db2.gz IXNREXHLSYNSKB-JRATXPSKSA-N 2 0 351.472 0.965 10 0 FCAERP C[C@@H]1CN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C[C@H]1CC[NH3+] ZINC000903496353 675933671 /nfs/dbraw/zinc/93/36/71/675933671.db2.gz LGMNBMCMUSBMOB-BFYDXBDKSA-N 2 0 371.547 0.861 10 0 FCAERP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCc2cn(C)nn2)CC1 ZINC000859077119 671791858 /nfs/dbraw/zinc/79/18/58/671791858.db2.gz NAGBQPUEPYOKBB-UHFFFAOYSA-N 2 0 350.511 0.918 10 0 FCAERP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903757235 675968650 /nfs/dbraw/zinc/96/86/50/675968650.db2.gz WKMWBHMPLRZLLJ-CHWSQXEVSA-N 2 0 366.428 0.915 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903732094 675965052 /nfs/dbraw/zinc/96/50/52/675965052.db2.gz OTMXVQRTGSMJAF-NEPJUHHUSA-N 2 0 350.385 0.279 10 0 FCAERP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903747899 675967218 /nfs/dbraw/zinc/96/72/18/675967218.db2.gz WZOWIPVTXBVBCP-AWEZNQCLSA-N 2 0 352.504 0.834 10 0 FCAERP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903754833 675967982 /nfs/dbraw/zinc/96/79/82/675967982.db2.gz RVKWCYFBMSVDFN-NEPJUHHUSA-N 2 0 352.401 0.525 10 0 FCAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903754811 675967995 /nfs/dbraw/zinc/96/79/95/675967995.db2.gz QRYBGOXNUJAXOO-YNEHKIRRSA-N 2 0 364.412 0.525 10 0 FCAERP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903754836 675968078 /nfs/dbraw/zinc/96/80/78/675968078.db2.gz RVKWCYFBMSVDFN-VXGBXAGGSA-N 2 0 352.401 0.525 10 0 FCAERP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000903787555 675973520 /nfs/dbraw/zinc/97/35/20/675973520.db2.gz RIKFQFKGJAXEFZ-INIZCTEOSA-N 2 0 350.507 0.921 10 0 FCAERP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903759220 675969131 /nfs/dbraw/zinc/96/91/31/675969131.db2.gz QOQDLHUQMOJXRA-NEPJUHHUSA-N 2 0 364.412 0.667 10 0 FCAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903763416 675970043 /nfs/dbraw/zinc/97/00/43/675970043.db2.gz RNCNRGFNRONOCU-AWEZNQCLSA-N 2 0 352.504 0.834 10 0 FCAERP CC(C)N(C(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C(C)C ZINC000863549816 672135854 /nfs/dbraw/zinc/13/58/54/672135854.db2.gz JKYDSVDZSCIRLO-CVEARBPZSA-N 2 0 352.479 0.889 10 0 FCAERP FC(F)(F)[C@@H](C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000903918549 675982425 /nfs/dbraw/zinc/98/24/25/675982425.db2.gz BDPMGOLQZOCFKL-TZMCWYRMSA-N 3 0 361.416 0.128 10 0 FCAERP Cc1c(C[C@@H](C[NH3+])CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cnn1C ZINC000903920931 675982936 /nfs/dbraw/zinc/98/29/36/675982936.db2.gz YARBLCOOEFFIHI-DZGCQCFKSA-N 2 0 362.444 0.272 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(F)(F)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000866018955 672260644 /nfs/dbraw/zinc/26/06/44/672260644.db2.gz BMSXEPGQRDDGPR-KJGYPYNMSA-N 2 0 360.449 0.535 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000866810747 672310040 /nfs/dbraw/zinc/31/00/40/672310040.db2.gz CCWVTFMJICMFTJ-GFCCVEGCSA-N 2 0 357.524 0.728 10 0 FCAERP C[C@H]1CSCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867475222 672321982 /nfs/dbraw/zinc/32/19/82/672321982.db2.gz PQLXQVCWKQAAFL-RRFJBIMHSA-N 2 0 356.536 0.148 10 0 FCAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000867524923 672331099 /nfs/dbraw/zinc/33/10/99/672331099.db2.gz RGNAYVKKJCCENM-IXDOHACOSA-N 2 0 350.507 0.872 10 0 FCAERP CC[C@@]1(C)CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867551062 672335702 /nfs/dbraw/zinc/33/57/02/672335702.db2.gz ZQYFDMVWGDHXPF-MDZRGWNJSA-N 2 0 352.523 0.833 10 0 FCAERP COCC1(CS(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1 ZINC000867590310 672343372 /nfs/dbraw/zinc/34/33/72/672343372.db2.gz NZFPKXZETKLCOD-HZPDHXFCSA-N 2 0 361.552 0.804 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C[C@H]1C[NH+](C)C ZINC000867590714 672343730 /nfs/dbraw/zinc/34/37/30/672343730.db2.gz SMIAIEKRJFWKEZ-ZIAGYGMSSA-N 2 0 369.487 0.775 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH+](C)C ZINC000867591249 672343991 /nfs/dbraw/zinc/34/39/91/672343991.db2.gz ZUEIJTJBGNKRFS-IAGOWNOFSA-N 3 0 360.568 0.473 10 0 FCAERP CCN(C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2)[C@@H]1CC[N@H+](C)C1 ZINC000867629209 672350494 /nfs/dbraw/zinc/35/04/94/672350494.db2.gz CCMMYBVPOIUBOU-MRXNPFEDSA-N 2 0 350.507 0.873 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867808760 672370136 /nfs/dbraw/zinc/37/01/36/672370136.db2.gz OOUOJXYIKXXYMM-HOTGVXAUSA-N 2 0 369.535 0.776 10 0 FCAERP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868358232 672395650 /nfs/dbraw/zinc/39/56/50/672395650.db2.gz FAUYYWAULQSBSV-KZNAEPCWSA-N 2 0 351.539 0.996 10 0 FCAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000868391113 672398161 /nfs/dbraw/zinc/39/81/61/672398161.db2.gz SROJDNKQCKJUJS-HOTGVXAUSA-N 2 0 350.507 0.907 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@](C[NH3+])(C(C)(C)C)C3)CC[C@@H]21 ZINC000868409319 672399205 /nfs/dbraw/zinc/39/92/05/672399205.db2.gz BNHWTHNPDJOURI-ZRGWGRIASA-N 2 0 350.507 0.763 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@](C[NH3+])(C(C)(C)C)C3)CC[C@H]21 ZINC000868409314 672399216 /nfs/dbraw/zinc/39/92/16/672399216.db2.gz BNHWTHNPDJOURI-SPYBWZPUSA-N 2 0 350.507 0.763 10 0 FCAERP C[C@H]([NH2+]C1(CNS(=O)(=O)C2C[NH2+]C2)CCOCC1)c1ccccc1 ZINC000923611639 672436976 /nfs/dbraw/zinc/43/69/76/672436976.db2.gz VTDYLOSWFXWFEL-AWEZNQCLSA-N 2 0 353.488 0.778 10 0 FCAERP CC(C)[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N1CCCC1=O ZINC000870023419 672462077 /nfs/dbraw/zinc/46/20/77/672462077.db2.gz XPXZJJQIMGCXNB-JFIYKMOQSA-N 2 0 352.523 0.831 10 0 FCAERP CN(C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)[C@H]1CCC[NH+]1C ZINC000871236953 672537726 /nfs/dbraw/zinc/53/77/26/672537726.db2.gz AYVXYMXDZAXYGB-GVDBMIGSSA-N 2 0 350.507 0.872 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872188493 672597649 /nfs/dbraw/zinc/59/76/49/672597649.db2.gz WXGSALMONRCXNH-XQQFMLRXSA-N 2 0 364.412 0.382 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872188092 672597701 /nfs/dbraw/zinc/59/77/01/672597701.db2.gz OUAMLASHCZWILM-NEPJUHHUSA-N 2 0 350.385 0.136 10 0 FCAERP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872192608 672600605 /nfs/dbraw/zinc/60/06/05/672600605.db2.gz YAYCDSATJMWUHU-CHWSQXEVSA-N 2 0 366.428 0.772 10 0 FCAERP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872196169 672604132 /nfs/dbraw/zinc/60/41/32/672604132.db2.gz OWJMLWZVQWSVBM-UHFFFAOYSA-N 2 0 354.495 0.287 10 0 FCAERP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872255128 672608620 /nfs/dbraw/zinc/60/86/20/672608620.db2.gz PXXPUDOZWKABHV-JTOWHCCKSA-N 2 0 350.463 0.678 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCCCS2(=O)=O)C[C@H]1C[NH+](C)C ZINC000875481263 672886746 /nfs/dbraw/zinc/88/67/46/672886746.db2.gz IRLSMDRTZBCYFL-BZUAXINKSA-N 2 0 374.551 0.335 10 0 FCAERP CCc1nnc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000875607693 672899052 /nfs/dbraw/zinc/89/90/52/672899052.db2.gz ICJPIJPQWKGMFC-CHWSQXEVSA-N 2 0 354.524 0.981 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)C[C@H]1C[NH+](C)C ZINC000875618981 672899665 /nfs/dbraw/zinc/89/96/65/672899665.db2.gz OKWZXYQPYVZGGU-IAGOWNOFSA-N 3 0 355.527 0.090 10 0 FCAERP O=S(=O)(NCC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000923656637 673006304 /nfs/dbraw/zinc/00/63/04/673006304.db2.gz JFOXHERTWKUESH-KRWDZBQOSA-N 2 0 352.504 0.965 10 0 FCAERP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000925152058 673777815 /nfs/dbraw/zinc/77/78/15/673777815.db2.gz QXKQDBTXKALDTE-YYIAUSFCSA-N 2 0 368.547 0.807 10 0 FCAERP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000925152056 673777833 /nfs/dbraw/zinc/77/78/33/673777833.db2.gz QXKQDBTXKALDTE-TWMKSMIVSA-N 2 0 368.547 0.807 10 0 FCAERP O=C(N[C@@H]1CCC[NH+]2CCSC[C@H]12)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000925179547 673782567 /nfs/dbraw/zinc/78/25/67/673782567.db2.gz UJEAPPDTYXPGNW-BRWVUGGUSA-N 2 0 368.547 0.807 10 0 FCAERP CCO[C@H](CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C[NH+](C)C ZINC000926837844 673844356 /nfs/dbraw/zinc/84/43/56/673844356.db2.gz WKBVIVAJLXETHX-DLBZAZTESA-N 2 0 355.527 0.375 10 0 FCAERP CCO[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)C[NH+](C)C ZINC000926847943 673845489 /nfs/dbraw/zinc/84/54/89/673845489.db2.gz PDRVSRMJIGYPBP-SJORKVTESA-N 2 0 356.511 0.849 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC2CC3(C2)OCCO3)C[C@H]1C[NH+](C)C ZINC000927096891 673851278 /nfs/dbraw/zinc/85/12/78/673851278.db2.gz JSPHCOAKGXKQJD-HZPDHXFCSA-N 2 0 354.495 0.520 10 0 FCAERP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC23CC[NH+](C)CC3)CCSC1 ZINC000929465591 673957657 /nfs/dbraw/zinc/95/76/57/673957657.db2.gz QUYSLKSPOCMWAM-QGZVFWFLSA-N 2 0 354.520 0.237 10 0 FCAERP CC[NH+]1CCCN([C@@H](C)CNC(=O)CN2CCC[N@@H+](CC)CC2)CC1 ZINC000929482649 673958868 /nfs/dbraw/zinc/95/88/68/673958868.db2.gz QWNHEKSFIWMQBQ-SFHVURJKSA-N 2 0 353.555 0.546 10 0 FCAERP CON1CC[C@@H]([NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1=O ZINC000929681946 673971272 /nfs/dbraw/zinc/97/12/72/673971272.db2.gz AUIMZQQUDAXMPE-OAHLLOKOSA-N 2 0 354.495 0.565 10 0 FCAERP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929682020 673971367 /nfs/dbraw/zinc/97/13/67/673971367.db2.gz CWCVVIYJHQMYQK-INIZCTEOSA-N 2 0 355.523 0.678 10 0 FCAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000929745360 673974543 /nfs/dbraw/zinc/97/45/43/673974543.db2.gz OIOZKSFOLDYZLH-SNPRPXQTSA-N 2 0 352.504 0.035 10 0 FCAERP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000929929201 673985771 /nfs/dbraw/zinc/98/57/71/673985771.db2.gz JMTBLFSOLOCLOD-HOCLYGCPSA-N 2 0 354.495 0.202 10 0 FCAERP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)CC1 ZINC000901146083 675763878 /nfs/dbraw/zinc/76/38/78/675763878.db2.gz PPQKLNREHKNEEZ-IEBWSBKVSA-N 2 0 352.523 0.459 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000897493467 1192206750 /nfs/dbraw/zinc/20/67/50/1192206750.db2.gz CBBZFCLAZWJONJ-IAGOWNOFSA-N 2 0 373.501 0.967 10 0 FCAERP CNC(=O)[C@H](C)[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001267096457 1171752376 /nfs/dbraw/zinc/75/23/76/1171752376.db2.gz PVTOCXFZLZZYJE-HDMKZQKVSA-N 2 0 360.502 0.910 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2cnn(C(C)(C)C)c2)CC[N@@H+]1C ZINC001272168898 1192685470 /nfs/dbraw/zinc/68/54/70/1192685470.db2.gz MUWZRJZJPGQBGL-NVXWUHKLSA-N 2 0 365.522 0.889 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000897713705 1192843230 /nfs/dbraw/zinc/84/32/30/1192843230.db2.gz KYRAXVRJLPTXGT-PMPSAXMXSA-N 2 0 359.474 0.718 10 0 FCAERP CCN1CC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000897919674 1192851364 /nfs/dbraw/zinc/85/13/64/1192851364.db2.gz POIHCZAGOXSPMA-ZWKOTPCHSA-N 2 0 374.485 0.080 10 0 FCAERP CCN1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000897939559 1192852160 /nfs/dbraw/zinc/85/21/60/1192852160.db2.gz MUGNUAUVCCJKEZ-BRWVUGGUSA-N 2 0 366.506 0.081 10 0 FCAERP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000898127688 1192858860 /nfs/dbraw/zinc/85/88/60/1192858860.db2.gz IITJEMJLSJFCDB-HZPDHXFCSA-N 2 0 359.474 0.719 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001719686163 1179375333 /nfs/dbraw/zinc/37/53/33/1179375333.db2.gz NODFRYZWJZCCHK-JTDSTZFVSA-N 2 0 350.507 0.585 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC001719690671 1179419738 /nfs/dbraw/zinc/41/97/38/1179419738.db2.gz HKARDBRLZWNXLZ-ABSDTBQOSA-N 2 0 362.518 0.587 10 0 FCAERP CCCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC(=O)N1CCOCC1 ZINC001267314598 1179747520 /nfs/dbraw/zinc/74/75/20/1179747520.db2.gz RQVOZQZCORTTEU-DLBZAZTESA-N 2 0 368.522 0.404 10 0 FCAERP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001719727904 1179808533 /nfs/dbraw/zinc/80/85/33/1179808533.db2.gz GOJVHVPTIMEJHO-ZACQAIPSSA-N 2 0 368.522 0.260 10 0 FCAERP CCNC(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001267916159 1183148459 /nfs/dbraw/zinc/14/84/59/1183148459.db2.gz XROFQGYHCRAGSB-HZPDHXFCSA-N 2 0 361.490 0.878 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@](C)(C[NH2+]CC(=O)N2CCC2)C2CC2)CC[N@@H+]1C ZINC001481930215 1187552052 /nfs/dbraw/zinc/55/20/52/1187552052.db2.gz FSUIVOPUNJJVRJ-FCEWJHQRSA-N 2 0 350.507 0.824 10 0 FCAERP CC(C)n1nccc1NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268645783 1187748570 /nfs/dbraw/zinc/74/85/70/1187748570.db2.gz WIBXBIWAJPVHBC-RBSFLKMASA-N 2 0 364.494 0.837 10 0 FCAERP Cc1cc(NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001482283883 1188126409 /nfs/dbraw/zinc/12/64/09/1188126409.db2.gz QYLNGBYQJBSMME-IACUBPJLSA-N 2 0 351.451 0.698 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001482287578 1188139703 /nfs/dbraw/zinc/13/97/03/1188139703.db2.gz CSLHDQIKMBJSNS-HRCADAONSA-N 2 0 354.495 0.012 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001270518842 1188183455 /nfs/dbraw/zinc/18/34/55/1188183455.db2.gz DEOMAYBZQRSJRJ-GUDVDZBRSA-N 2 0 366.550 0.972 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3ccn(C)n3)CCOCC2)CC[N@@H+]1C ZINC001271038716 1189523685 /nfs/dbraw/zinc/52/36/85/1189523685.db2.gz RSBGVEIPRGDGRT-DLBZAZTESA-N 2 0 363.506 0.905 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)C3C[NH+]([C@@H]4CCOC4)C3)cn2)CC1 ZINC000895742140 1189879988 /nfs/dbraw/zinc/87/99/88/1189879988.db2.gz YUKPZAYDUUVCHS-GOSISDBHSA-N 2 0 373.501 0.560 10 0 FCAERP CCN1CC[C@@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000897340318 1190709186 /nfs/dbraw/zinc/70/91/86/1190709186.db2.gz NBANNACWEHCAPH-MRXNPFEDSA-N 2 0 366.506 0.348 10 0 FCAERP CCN1CC[C@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000897340317 1190709281 /nfs/dbraw/zinc/70/92/81/1190709281.db2.gz NBANNACWEHCAPH-INIZCTEOSA-N 2 0 366.506 0.348 10 0 FCAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NCc1ccco1 ZINC001482533220 1190724355 /nfs/dbraw/zinc/72/43/55/1190724355.db2.gz XBIUSAKNQJOJRC-OIISXLGYSA-N 2 0 364.490 0.966 10 0 FCAERP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897355728 1190783061 /nfs/dbraw/zinc/78/30/61/1190783061.db2.gz CJCMRSAEEFCAIT-RTBURBONSA-N 2 0 359.470 0.590 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C(C)C)CC[N@@H+]1C ZINC001746059329 1191112367 /nfs/dbraw/zinc/11/23/67/1191112367.db2.gz AYAZFNCOSADCOR-LUKYLMHMSA-N 2 0 350.507 0.869 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001719927172 1191217095 /nfs/dbraw/zinc/21/70/95/1191217095.db2.gz FREJZCWICXADJU-OAGGEKHMSA-N 2 0 350.507 0.917 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000550783576 1193793232 /nfs/dbraw/zinc/79/32/32/1193793232.db2.gz FVZXIDOIACRYHK-IAGOWNOFSA-N 2 0 368.522 0.546 10 0 FCAERP C[N@@H+]1C[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)N2CCC2)[C@@H](c2ccccc2)C1 ZINC001483062037 1193856509 /nfs/dbraw/zinc/85/65/09/1193856509.db2.gz LQAOWOHGFRCJSI-WYNBNGFRSA-N 2 0 370.497 0.826 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000551843431 1193874600 /nfs/dbraw/zinc/87/46/00/1193874600.db2.gz CXIAWOXRDXYJSX-SFHVURJKSA-N 2 0 360.502 0.830 10 0 FCAERP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898664067 1194059379 /nfs/dbraw/zinc/05/93/79/1194059379.db2.gz BOMKATDQQMXTPD-MOPGFXCFSA-N 2 0 359.470 0.590 10 0 FCAERP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000842240188 1194116132 /nfs/dbraw/zinc/11/61/32/1194116132.db2.gz OARGYNFHEIMOHW-SFHVURJKSA-N 2 0 360.502 0.878 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001483129968 1194189773 /nfs/dbraw/zinc/18/97/73/1194189773.db2.gz NNJIBPMLEYMULI-HZSPNIEDSA-N 2 0 369.510 0.435 10 0 FCAERP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)C1=O ZINC000905021771 1195572737 /nfs/dbraw/zinc/57/27/37/1195572737.db2.gz CMMVJUHUEAAOOS-LQWHRVPQSA-N 2 0 371.481 0.966 10 0 FCAERP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)C1=O ZINC000905021772 1195572985 /nfs/dbraw/zinc/57/29/85/1195572985.db2.gz CMMVJUHUEAAOOS-OPYAIIAOSA-N 2 0 371.481 0.966 10 0 FCAERP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000907287925 1195687195 /nfs/dbraw/zinc/68/71/95/1195687195.db2.gz JVNWPXHENWDDNG-NSHGMRRFSA-N 2 0 361.486 0.715 10 0 FCAERP O=C(NCCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)C12CC[NH+](CC1)C2 ZINC000908049589 1195722236 /nfs/dbraw/zinc/72/22/36/1195722236.db2.gz IXWNDVAOPUUYTA-UHFFFAOYSA-N 2 0 374.529 0.923 10 0 FCAERP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908135861 1195724231 /nfs/dbraw/zinc/72/42/31/1195724231.db2.gz ZNNJBAMXRHIQAA-CTNGQTDRSA-N 2 0 374.529 0.718 10 0 FCAERP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000912723444 1196361205 /nfs/dbraw/zinc/36/12/05/1196361205.db2.gz GVNCWFVDUGTTDR-CTNGQTDRSA-N 2 0 374.529 0.766 10 0 FCAERP O=C([C@@H]1CC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)C1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912900752 1196382907 /nfs/dbraw/zinc/38/29/07/1196382907.db2.gz REMCLGWUMCZMHW-FZDBZEDMSA-N 2 0 360.502 0.626 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000592957410 1196600784 /nfs/dbraw/zinc/60/07/84/1196600784.db2.gz SFLLVVVUHQKFFF-CQSZACIVSA-N 2 0 362.430 0.293 10 0 FCAERP O=C(NC12CC[NH+](CC1)C2)c1ccc(C(=O)NC23CC[NH+](CC2)C3)nc1 ZINC000913634119 1197094185 /nfs/dbraw/zinc/09/41/85/1197094185.db2.gz BQLQMSPIWPXJDX-UHFFFAOYSA-N 2 0 355.442 0.238 10 0 FCAERP O=C(NC12CC[NH+](CC1)C2)c1cccc(C(=O)NC23CC[NH+](CC2)C3)n1 ZINC000913637327 1197095399 /nfs/dbraw/zinc/09/53/99/1197095399.db2.gz FHNHAFQQROKBFO-UHFFFAOYSA-N 2 0 355.442 0.238 10 0 FCAERP C[NH+]1CCN(c2cccc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)n2)CC1 ZINC000767175305 1199113071 /nfs/dbraw/zinc/11/30/71/1199113071.db2.gz XLCRPAVTODAGCA-HOTGVXAUSA-N 2 0 359.474 0.426 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000810345600 1202942868 /nfs/dbraw/zinc/94/28/68/1202942868.db2.gz YRZWUPADASLKPT-IBGZPJMESA-N 2 0 368.497 0.966 10 0 FCAERP Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000819110717 1203150942 /nfs/dbraw/zinc/15/09/42/1203150942.db2.gz HHHMYRSWRTULLL-RBUKOAKNSA-N 2 0 360.502 0.688 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000819193346 1203151802 /nfs/dbraw/zinc/15/18/02/1203151802.db2.gz FPHQVAFLFILEAK-RTBURBONSA-N 2 0 360.502 0.376 10 0 FCAERP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000844169603 1203337449 /nfs/dbraw/zinc/33/74/49/1203337449.db2.gz AODBXRLKFKSLAR-CVEARBPZSA-N 2 0 362.478 0.576 10 0 FCAERP C[NH+]1CCN(c2ccnc(-c3noc([C@]45C[NH2+]C[C@H]4COC5)n3)c2)CC1 ZINC000844916859 1204443651 /nfs/dbraw/zinc/44/36/51/1204443651.db2.gz XXOQIXLACANVND-UGSOOPFHSA-N 2 0 356.430 0.371 10 0 FCAERP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@]1(O)CCC[NH+](Cc2ccccc2)C1 ZINC001146375901 1204716125 /nfs/dbraw/zinc/71/61/25/1204716125.db2.gz CSCZFOCSPJPMQP-ICSRJNTNSA-N 2 0 360.502 0.376 10 0 FCAERP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000775268072 1207571984 /nfs/dbraw/zinc/57/19/84/1207571984.db2.gz UHPGGYDGTOYCBF-MAUKXSAKSA-N 2 0 362.474 0.902 10 0 FCAERP CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867390875 1208455014 /nfs/dbraw/zinc/45/50/14/1208455014.db2.gz FRMDWYQAYCIXFL-BRWVUGGUSA-N 2 0 368.522 0.212 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001488366017 1208499801 /nfs/dbraw/zinc/49/98/01/1208499801.db2.gz KBJQYGVJBLNDJC-OWCLPIDISA-N 2 0 368.522 0.137 10 0 FCAERP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001488903655 1208563557 /nfs/dbraw/zinc/56/35/57/1208563557.db2.gz NQCIYJJTNOCBQK-ARFHVFGLSA-N 2 0 368.522 0.496 10 0 FCAERP CN1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C2)C1 ZINC001488903901 1208563579 /nfs/dbraw/zinc/56/35/79/1208563579.db2.gz RRJZZBGMBBHNER-ARFHVFGLSA-N 2 0 368.522 0.354 10 0 FCAERP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC1CC1 ZINC001488947962 1208581587 /nfs/dbraw/zinc/58/15/87/1208581587.db2.gz OGUIYMFWNDJECV-OFQRWUPVSA-N 2 0 350.507 0.870 10 0 FCAERP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001488967790 1208589837 /nfs/dbraw/zinc/58/98/37/1208589837.db2.gz GLWHGOURGLDCEB-YQQAZPJKSA-N 2 0 366.506 0.108 10 0 FCAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCO)C1 ZINC001488981487 1208597106 /nfs/dbraw/zinc/59/71/06/1208597106.db2.gz HWBSQUDFWLQFCZ-KSZLIROESA-N 2 0 363.506 0.561 10 0 FCAERP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC(=O)Nc2ccon2)C1 ZINC001489049654 1208603659 /nfs/dbraw/zinc/60/36/59/1208603659.db2.gz XAQFMQBMXLJLIJ-KGLIPLIRSA-N 2 0 351.451 0.782 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCN1CCCC1=O ZINC001489129095 1208634879 /nfs/dbraw/zinc/63/48/79/1208634879.db2.gz VPHBXJSSYRYEQU-JKSUJKDBSA-N 2 0 350.507 0.920 10 0 FCAERP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NCC4CC4)CC[C@@H]3C2)C1 ZINC001489205020 1208667557 /nfs/dbraw/zinc/66/75/57/1208667557.db2.gz BGHGTDKATBCAQA-KSZLIROESA-N 2 0 362.518 0.635 10 0 FCAERP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001489276273 1208753507 /nfs/dbraw/zinc/75/35/07/1208753507.db2.gz ZGWVUEQXOPEXKP-BMFZPTHFSA-N 2 0 359.430 0.467 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001489454194 1208841586 /nfs/dbraw/zinc/84/15/86/1208841586.db2.gz PVROJRWDOGDYQI-IXDOHACOSA-N 2 0 368.522 0.260 10 0 FCAERP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)[NH+](C)C ZINC001489475080 1208855288 /nfs/dbraw/zinc/85/52/88/1208855288.db2.gz OISRJVUHPQBYBU-BZUAXINKSA-N 2 0 350.507 0.918 10 0 FCAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCC[NH+]4CCCC4)C[C@H]32)C1 ZINC001489651272 1209037798 /nfs/dbraw/zinc/03/77/98/1209037798.db2.gz SUGSIMFLJMTZCC-FGTMMUONSA-N 2 0 362.518 0.873 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001490241638 1209284900 /nfs/dbraw/zinc/28/49/00/1209284900.db2.gz PUPULRUXMJXIFI-QFBILLFUSA-N 2 0 352.523 0.975 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NCC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001490664061 1209408341 /nfs/dbraw/zinc/40/83/41/1209408341.db2.gz CVXHXSTVUIHGJY-BMFZPTHFSA-N 2 0 352.523 0.973 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CCO1 ZINC000853624273 1209601817 /nfs/dbraw/zinc/60/18/17/1209601817.db2.gz IHNPUUPHULAUQS-MJGOQNOKSA-N 2 0 366.506 0.903 10 0 FCAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCC(=O)NC(N)=O)C2)ccn1 ZINC000856591618 1209716239 /nfs/dbraw/zinc/71/62/39/1209716239.db2.gz OXKRCRJQWSHAOX-MRXNPFEDSA-N 2 0 363.462 0.962 10 0 FCAERP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC(=O)NC(N)=O)C2)ccn1 ZINC000856599016 1209717585 /nfs/dbraw/zinc/71/75/85/1209717585.db2.gz LTJHWORNXMHHFZ-INIZCTEOSA-N 2 0 363.462 0.960 10 0 FCAERP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000861491268 1209867868 /nfs/dbraw/zinc/86/78/68/1209867868.db2.gz MBEAUBIEYOCOLY-HZPDHXFCSA-N 2 0 374.441 0.087 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)cc2)CC1 ZINC000861545614 1209871037 /nfs/dbraw/zinc/87/10/37/1209871037.db2.gz XOYSLFXPWPWKME-WMLDXEAASA-N 2 0 359.474 0.634 10 0 FCAERP C[C@@H](CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[N@H+](C)C1CC1 ZINC000861573343 1209871684 /nfs/dbraw/zinc/87/16/84/1209871684.db2.gz GBCCAYDSVWRJAD-MAZHCROVSA-N 2 0 365.478 0.436 10 0 FCAERP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861658393 1209873628 /nfs/dbraw/zinc/87/36/28/1209873628.db2.gz IIIFLWFOMMSIFF-QLFBSQMISA-N 2 0 363.462 0.238 10 0 FCAERP Cn1nnc2cc(C[NH+]3CCC(N4C(=O)O[C@H]5C[NH2+]C[C@H]54)CC3)ccc21 ZINC000863642576 1209947056 /nfs/dbraw/zinc/94/70/56/1209947056.db2.gz SLCJHBYBCWDPDG-SJORKVTESA-N 2 0 356.430 0.725 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCOC(C)(C)C1 ZINC000865096144 1209970803 /nfs/dbraw/zinc/97/08/03/1209970803.db2.gz ZXFNMBDJVWUILO-AWEZNQCLSA-N 2 0 372.510 0.668 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C[C@H]1C[NH+](C)C ZINC000866041066 1209990082 /nfs/dbraw/zinc/99/00/82/1209990082.db2.gz NECFYPQKKODNLT-CHWSQXEVSA-N 2 0 373.457 0.773 10 0 FCAERP CN(CCN1CC2(C1)CCOCC2)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000867607574 1210017077 /nfs/dbraw/zinc/01/70/77/1210017077.db2.gz PZROVUKVYMQZNN-MRXNPFEDSA-N 2 0 366.506 0.110 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CCF)C2)C[C@H]1C[NH+](C)C ZINC000867630314 1210018971 /nfs/dbraw/zinc/01/89/71/1210018971.db2.gz IGLRKDVHXBMYEC-BRWVUGGUSA-N 2 0 370.513 0.782 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CCO1 ZINC000867740866 1210026907 /nfs/dbraw/zinc/02/69/07/1210026907.db2.gz LNNVYNSQDRWWRE-MRXNPFEDSA-N 2 0 368.522 0.498 10 0 FCAERP O=C(Nc1ccc2nccn2c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868126323 1210042149 /nfs/dbraw/zinc/04/21/49/1210042149.db2.gz RLLILHAHOJVEHJ-MCIONIFRSA-N 2 0 356.386 0.733 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CCN3)C[C@H]1C[NH+](C)C ZINC000868263201 1210048382 /nfs/dbraw/zinc/04/83/82/1210048382.db2.gz LWDTUUSEPQZCRV-HUUCEWRRSA-N 2 0 373.501 0.791 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)CC[C@@H]21 ZINC000868309801 1210051042 /nfs/dbraw/zinc/05/10/42/1210051042.db2.gz MLUFOVAGYRRXKA-CJNGLKHVSA-N 2 0 358.442 0.660 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000868343560 1210054207 /nfs/dbraw/zinc/05/42/07/1210054207.db2.gz IZRDHXFLJHUELX-ILXRZTDVSA-N 2 0 370.494 0.109 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000868416571 1210063759 /nfs/dbraw/zinc/06/37/59/1210063759.db2.gz AGERDABSNUMEGN-LSDHHAIUSA-N 2 0 373.457 0.092 10 0 FCAERP O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000868418861 1210064342 /nfs/dbraw/zinc/06/43/42/1210064342.db2.gz RTHLMSAENXNOSK-SPUZQDLCSA-N 2 0 360.502 0.815 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000868637259 1210070880 /nfs/dbraw/zinc/07/08/80/1210070880.db2.gz UWXFXYIBMZHXFC-GJZGRUSLSA-N 2 0 372.510 0.404 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)c3ccccc32)C[C@H]1C[NH+](C)C ZINC000870016629 1210099646 /nfs/dbraw/zinc/09/96/46/1210099646.db2.gz RJSWIDXIJUWYDQ-IIDMSEBBSA-N 2 0 358.486 0.711 10 0 FCAERP COCCOc1cncc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870019054 1210099720 /nfs/dbraw/zinc/09/97/20/1210099720.db2.gz NYHUOIHIVSXXQG-IAGOWNOFSA-N 2 0 364.490 0.918 10 0 FCAERP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)n1cnc2c1ncnc2N ZINC000870017439 1210099723 /nfs/dbraw/zinc/09/97/23/1210099723.db2.gz NXZXQJYXHWOKHM-BFHYXJOUSA-N 2 0 374.493 0.167 10 0 FCAERP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000872190078 1210175840 /nfs/dbraw/zinc/17/58/40/1210175840.db2.gz RBPXDSVVPCNDEP-MRXNPFEDSA-N 2 0 368.522 0.676 10 0 FCAERP COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000872250196 1210180873 /nfs/dbraw/zinc/18/08/73/1210180873.db2.gz FWNMBZKTBBOHTG-YZVOILCLSA-N 2 0 367.490 0.324 10 0 FCAERP O=C(c1cccc2c1CC[NH2+]C2)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872304801 1210188826 /nfs/dbraw/zinc/18/88/26/1210188826.db2.gz OFPWGNHBZOULRY-XYPHTWIQSA-N 2 0 356.426 0.339 10 0 FCAERP CC(C)CNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001273975775 1210688684 /nfs/dbraw/zinc/68/86/84/1210688684.db2.gz XUYKCMFHBOHZEI-HZPDHXFCSA-N 2 0 368.522 0.354 10 0 FCAERP O=C1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CN1CCN1CCOCC1 ZINC000925572362 1211502331 /nfs/dbraw/zinc/50/23/31/1211502331.db2.gz PPAXCTTVXUQMLJ-IPMKNSEASA-N 2 0 364.534 0.677 10 0 FCAERP CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000925841312 1211508597 /nfs/dbraw/zinc/50/85/97/1211508597.db2.gz QHCDPPSSFCSBGW-RCCFBDPRSA-N 2 0 358.486 0.739 10 0 FCAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(-n2cnnn2)c1 ZINC000925854096 1211508602 /nfs/dbraw/zinc/50/86/02/1211508602.db2.gz KJFVWDPKMJXIBO-XJKSGUPXSA-N 2 0 356.430 0.998 10 0 FCAERP CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926294917 1211527374 /nfs/dbraw/zinc/52/73/74/1211527374.db2.gz LIZVEONPJVUCMG-YLJYHZDGSA-N 2 0 374.485 0.032 10 0 FCAERP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926302419 1211527769 /nfs/dbraw/zinc/52/77/69/1211527769.db2.gz NEJVLSHPWKKLOM-IBGZPJMESA-N 2 0 368.522 0.269 10 0 FCAERP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)CC2)CC1 ZINC000926337458 1211534293 /nfs/dbraw/zinc/53/42/93/1211534293.db2.gz PCHJFPJFXJMWHO-RJYAGPCLSA-N 2 0 366.506 0.022 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926336771 1211534568 /nfs/dbraw/zinc/53/45/68/1211534568.db2.gz DQSCBMRSCMGQGY-NVXWUHKLSA-N 2 0 366.506 0.001 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[C@H]1C[NH3+] ZINC000926357495 1211539236 /nfs/dbraw/zinc/53/92/36/1211539236.db2.gz XPDHCBUAQFSJFD-HOTGVXAUSA-N 2 0 368.522 0.389 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000926393142 1211545267 /nfs/dbraw/zinc/54/52/67/1211545267.db2.gz CUYVAVHKQVLDJG-OWCLPIDISA-N 2 0 357.458 0.187 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926410281 1211547566 /nfs/dbraw/zinc/54/75/66/1211547566.db2.gz JAHMQDOUBLMJNO-GOSISDBHSA-N 2 0 366.506 0.166 10 0 FCAERP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@H]3CC[C@H]([NH3+])C3)c2)CC1 ZINC000927926301 1211593184 /nfs/dbraw/zinc/59/31/84/1211593184.db2.gz AMSDSVVAURQPPW-WBVHZDCISA-N 2 0 373.501 0.616 10 0 FCAERP C[NH+](C)CC[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccnc1 ZINC000928838578 1211611753 /nfs/dbraw/zinc/61/17/53/1211611753.db2.gz LPNHQHVIBZOBDG-DLBZAZTESA-N 2 0 361.490 0.601 10 0 FCAERP CON1CC[C@@H]([NH+](C)[C@H]2CC[C@H]([N@@H+](C)[C@@H]3CCN(OC)C3=O)CC2)C1=O ZINC000931737318 1211772252 /nfs/dbraw/zinc/77/22/52/1211772252.db2.gz HUDUMHXHIKIXHD-KLHDSHLOSA-N 2 0 368.478 0.486 10 0 FCAERP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001490888784 1216878578 /nfs/dbraw/zinc/87/85/78/1216878578.db2.gz GEOQTGKOGVVFEN-YYFQZIEXSA-N 2 0 367.494 0.188 10 0 FCAERP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900209146 1217971718 /nfs/dbraw/zinc/97/17/18/1217971718.db2.gz PXWALAHPSRNKKN-PZJWPPBQSA-N 2 0 374.529 0.895 10 0 FCAERP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000900454116 1217990719 /nfs/dbraw/zinc/99/07/19/1217990719.db2.gz BWNDUISXCOCWDI-HKUYNNGSSA-N 3 0 361.490 0.165 10 0 FCAERP O=C(NCC1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1)C12CC[NH+](CC1)C2 ZINC000901277151 1218107133 /nfs/dbraw/zinc/10/71/33/1218107133.db2.gz IBJWPGWPWYEBEK-UHFFFAOYSA-N 2 0 374.529 0.969 10 0 FCAERP Cc1cc(N2CCC[C@@H](N3CC[NH+](C[C@@H]4CC[C@H]([NH3+])C4)CC3)C2=O)n(C)n1 ZINC000903456707 1218416458 /nfs/dbraw/zinc/41/64/58/1218416458.db2.gz JHKXLHBPVPKLKE-FGTMMUONSA-N 2 0 374.533 0.969 10 0 FCAERP COC(=O)CCN1CC[C@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1=O ZINC000903507284 1218431355 /nfs/dbraw/zinc/43/13/55/1218431355.db2.gz UVTOMHWCJAVXGL-BBWFWOEESA-N 2 0 364.490 0.051 10 0 FCAERP CC1(C)NC(=O)N(CCCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1=O ZINC000903510083 1218431737 /nfs/dbraw/zinc/43/17/37/1218431737.db2.gz NQTMDXZCWQVUGX-IYBDPMFKSA-N 2 0 363.506 0.608 10 0 FCAERP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1)C2 ZINC000903779142 1218523193 /nfs/dbraw/zinc/52/31/93/1218523193.db2.gz WHOPYSYOIRLTPE-IFXJQAMLSA-N 2 0 357.458 0.235 10 0 FCAERP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000903780659 1218524434 /nfs/dbraw/zinc/52/44/34/1218524434.db2.gz ABZVDIMBBASZNL-KRWDZBQOSA-N 2 0 367.538 0.071 10 0 FCAERP O=C([C@@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1)N1CCOCC1 ZINC000903879358 1218559054 /nfs/dbraw/zinc/55/90/54/1218559054.db2.gz ZGTPSJGHGPFDJA-HZPDHXFCSA-N 2 0 362.478 0.273 10 0 FCAERP O=C([C@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1)N1CCOCC1 ZINC000903879357 1218559253 /nfs/dbraw/zinc/55/92/53/1218559253.db2.gz ZGTPSJGHGPFDJA-HOTGVXAUSA-N 2 0 362.478 0.273 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC001118035820 1221693033 /nfs/dbraw/zinc/69/30/33/1221693033.db2.gz VILNMBXJZOPKBM-IAGOWNOFSA-N 2 0 362.449 0.898 10 0 FCAERP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001118918157 1221844426 /nfs/dbraw/zinc/84/44/26/1221844426.db2.gz UFWPDZHXBDXTKI-NVXWUHKLSA-N 2 0 373.501 0.942 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1cccc2c1C[NH2+]CC2 ZINC001119037400 1221859541 /nfs/dbraw/zinc/85/95/41/1221859541.db2.gz SFTHAFPFJWIOQG-SWLSCSKDSA-N 2 0 358.442 0.408 10 0 FCAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC001119776142 1221969468 /nfs/dbraw/zinc/96/94/68/1221969468.db2.gz HQCXXWSPIRVHPD-VVLHAWIVSA-N 2 0 366.506 0.033 10 0 FCAERP C[C@H](CCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)[NH+]1CCCCC1 ZINC001123547311 1222338490 /nfs/dbraw/zinc/33/84/90/1222338490.db2.gz WGLCDXQYCCZVNI-ZIFCJYIRSA-N 2 0 368.522 0.776 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC000828286050 1222399549 /nfs/dbraw/zinc/39/95/49/1222399549.db2.gz YYMLASXDNIKLFC-IXDOHACOSA-N 2 0 368.522 0.545 10 0 FCAERP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CCC[NH+](C(C)C)C2)CC1=O ZINC001141738818 1222763969 /nfs/dbraw/zinc/76/39/69/1222763969.db2.gz BOACVOCDYXUDJM-DLBZAZTESA-N 2 0 368.522 0.402 10 0 FCAERP C[C@H](CNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000848931734 1245386139 /nfs/dbraw/zinc/38/61/39/1245386139.db2.gz GXVGHTXUPCINRM-TWMKSMIVSA-N 2 0 368.522 0.591 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)cn1 ZINC000849512291 1245398103 /nfs/dbraw/zinc/39/81/03/1245398103.db2.gz BTYHYEBILPSAOF-XWTMOSNGSA-N 2 0 361.490 0.435 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849522853 1245398369 /nfs/dbraw/zinc/39/83/69/1245398369.db2.gz PDACUUCMSSLNHU-SQNIBIBYSA-N 2 0 363.506 0.682 10 0 FCAERP CC[N@H+](CCO)CCNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849578250 1245403231 /nfs/dbraw/zinc/40/32/31/1245403231.db2.gz LCGZBGXJMNKAAP-QZTJIDSGSA-N 2 0 365.522 0.664 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@H]2CCC[NH+]2CCCO)cn1 ZINC000849596470 1245404972 /nfs/dbraw/zinc/40/49/72/1245404972.db2.gz AGZIMXTXLMRBKX-FGTMMUONSA-N 2 0 363.506 0.418 10 0 FCAERP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)nc2)C1 ZINC000897103376 1245465810 /nfs/dbraw/zinc/46/58/10/1245465810.db2.gz HXOOHJFKOSBHAS-IRXDYDNUSA-N 2 0 359.474 0.881 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000897480605 1245472907 /nfs/dbraw/zinc/47/29/07/1245472907.db2.gz DKLOSGQUWJWCJD-RYRKJORJSA-N 2 0 371.485 0.862 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000897480604 1245473027 /nfs/dbraw/zinc/47/30/27/1245473027.db2.gz DKLOSGQUWJWCJD-NUJGCVRESA-N 2 0 371.485 0.862 10 0 FCAERP C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000918434142 1245576069 /nfs/dbraw/zinc/57/60/69/1245576069.db2.gz WXPCSGPMVQHHHG-UHFFFAOYSA-N 2 0 373.501 0.930 10 0 FCAERP CN1CCc2[nH]c3ccc(C(=O)NCC[N@H+](C)CCOCCO)cc3c2C1 ZINC000922115263 1245660500 /nfs/dbraw/zinc/66/05/00/1245660500.db2.gz IQEWSAHFZKFDJM-UHFFFAOYSA-N 2 0 374.485 0.826 10 0 FCAERP COCCOC[C@H](O)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923398592 1245715516 /nfs/dbraw/zinc/71/55/16/1245715516.db2.gz LSFIGAMJRPQZBI-HZPDHXFCSA-N 2 0 367.494 0.023 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1)C[NH+](C)C ZINC000929223395 1245740846 /nfs/dbraw/zinc/74/08/46/1245740846.db2.gz VNNMKUKLXXXMAO-MRXNPFEDSA-N 2 0 370.538 0.840 10 0 FCAERP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001329346651 1265739527 /nfs/dbraw/zinc/73/95/27/1265739527.db2.gz WWXRNMXZCSOIJD-YESZJQIVSA-N 2 0 364.490 0.003 10 0 FCAERP O=C1N[C@@H]2C[N@H+](CCOC3CCOCC3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001335380293 1259634271 /nfs/dbraw/zinc/63/42/71/1259634271.db2.gz DYWYLNPBOIAQSD-SJORKVTESA-N 2 0 352.479 0.402 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1cccc2c1C[NH2+]CC2 ZINC001335710330 1259798110 /nfs/dbraw/zinc/79/81/10/1259798110.db2.gz BPRIDZMPBPYVAT-WBVHZDCISA-N 2 0 370.453 0.422 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1cccc2c1C[NH2+]CC2 ZINC001261877174 1260206542 /nfs/dbraw/zinc/20/65/42/1260206542.db2.gz ZKHSIPKIACFOKL-LRDDRELGSA-N 2 0 358.442 0.408 10 0 FCAERP C[NH+]1CCN(c2ccccc2CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC001262153258 1260271743 /nfs/dbraw/zinc/27/17/43/1260271743.db2.gz WSCSLZDHBARHHN-GOSISDBHSA-N 2 0 358.486 0.775 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N(CCOC)CC1CC[NH+](C)CC1 ZINC001262214289 1260278807 /nfs/dbraw/zinc/27/88/07/1260278807.db2.gz NNBUMAASMBYFRR-QGZVFWFLSA-N 2 0 365.526 0.952 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC[C@@H]3CCCO3)C2)CC[N@@H+]1C ZINC001265478447 1260414262 /nfs/dbraw/zinc/41/42/62/1260414262.db2.gz DQAZGBMFLRXLQS-QUSNUVHPSA-N 2 0 366.506 0.249 10 0 FCAERP COC[C@]1(C)CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001332076588 1266331530 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/nfs/dbraw/zinc/41/15/24/1261411524.db2.gz RLXHOGVJVMYGAW-BRWVUGGUSA-N 2 0 368.522 0.354 10 0 FCAERP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)C[C@H]32)CC1 ZINC001288988479 1262061212 /nfs/dbraw/zinc/06/12/12/1262061212.db2.gz FVQYWDCBCKYHIZ-IXDOHACOSA-N 2 0 362.518 0.729 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001289480493 1262218899 /nfs/dbraw/zinc/21/88/99/1262218899.db2.gz WBJUUTQUUMIJKS-IAGOWNOFSA-N 2 0 368.522 0.402 10 0 FCAERP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)[NH+]1CCCCC1 ZINC001289647760 1262287545 /nfs/dbraw/zinc/28/75/45/1262287545.db2.gz OMIJNGGSPBGTNO-SOLBZPMBSA-N 2 0 368.522 0.137 10 0 FCAERP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001290261696 1262415363 /nfs/dbraw/zinc/41/53/63/1262415363.db2.gz CYANHYLCQDNOJU-IAGOWNOFSA-N 2 0 368.522 0.260 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001295354686 1262763301 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UJSIAMLPYAVYCM-MSOLQXFVSA-N 2 0 360.502 0.906 10 0 FCAERP [NH3+]CCCCn1cc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)nn1 ZINC001333630982 1266658345 /nfs/dbraw/zinc/65/83/45/1266658345.db2.gz UHUYKNBHPPLLLZ-UHFFFAOYSA-N 2 0 364.494 0.638 10 0 FCAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC2CN(S(C)(=O)=O)C2)CC1 ZINC001334597328 1267099393 /nfs/dbraw/zinc/09/93/93/1267099393.db2.gz WUUDEQWPZAWZAE-IYBDPMFKSA-N 2 0 358.552 0.368 10 0 FCAERP C[NH+](C)CCSc1nc(CC(=O)N2CC[C@](O)(C[NH+](C)C)C2)cs1 ZINC001558043612 1269009976 /nfs/dbraw/zinc/00/99/76/1269009976.db2.gz PDHLNXGWSZTALF-INIZCTEOSA-N 2 0 372.560 0.864 10 0 FCAERP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1O ZINC001341663645 1269138145 /nfs/dbraw/zinc/13/81/45/1269138145.db2.gz DVMMVKOTOCAZFF-JFIYKMOQSA-N 2 0 368.522 0.137 10 0 FCAERP COC(=O)C1CC[NH+](CCCNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001565615565 1269483181 /nfs/dbraw/zinc/48/31/81/1269483181.db2.gz FQSMTRUXJKEPJH-HZPDHXFCSA-N 2 0 355.479 0.223 10 0 FCAERP CC(C)NC(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001565917698 1269516178 /nfs/dbraw/zinc/51/61/78/1269516178.db2.gz ATJDSEFQLZEPBB-ARFHVFGLSA-N 2 0 353.511 0.520 10 0 FCAERP CC[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001565987249 1269541088 /nfs/dbraw/zinc/54/10/88/1269541088.db2.gz HGYSQTJKOCSGOO-RBSFLKMASA-N 2 0 369.510 0.518 10 0 FCAERP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CCOCCO)CC[C@@H]3C2)CC1 ZINC001566051819 1269584581 /nfs/dbraw/zinc/58/45/81/1269584581.db2.gz GJUSSRFSXHNYCB-MSOLQXFVSA-N 2 0 353.507 0.508 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)C[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001566456794 1269645124 /nfs/dbraw/zinc/64/51/24/1269645124.db2.gz KTYKLPGYUPGFMM-OWCLPIDISA-N 2 0 359.536 0.590 10 0 FCAERP Cc1csc(NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001567016530 1269674374 /nfs/dbraw/zinc/67/43/74/1269674374.db2.gz HNQQGEXUBXGCPU-RAIGVLPGSA-N 2 0 353.492 0.825 10 0 FCAERP CO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001343015651 1269732635 /nfs/dbraw/zinc/73/26/35/1269732635.db2.gz VWZPSCHQTYCEAU-BRWVUGGUSA-N 2 0 368.522 0.402 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]C[C@H]2CCCS(=O)(=O)C2)CC[N@@H+]1C ZINC001568853738 1269751416 /nfs/dbraw/zinc/75/14/16/1269751416.db2.gz NHLUFPYUGWOHOR-BWCQMHGCSA-N 2 0 371.547 0.804 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2cc(=O)c(OC)co2)CC[N@@H+]1C ZINC001568993418 1269758931 /nfs/dbraw/zinc/75/89/31/1269758931.db2.gz CFKKXZCFQZPTTN-VHDGCEQUSA-N 2 0 351.447 0.973 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NCC(C)C)C[C@@H]3C2)CC[N@@H+]1C ZINC001569875858 1269814881 /nfs/dbraw/zinc/81/48/81/1269814881.db2.gz RSXCXHHQFKZAGT-XWTMOSNGSA-N 2 0 364.534 0.879 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCc3cnn(C)c3)CCOCC2)CC[N@@H+]1C ZINC001570301440 1269868424 /nfs/dbraw/zinc/86/84/24/1269868424.db2.gz WQYVZWUQBMMHMU-NVXWUHKLSA-N 2 0 363.506 0.558 10 0 FCAERP 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COC(=O)[C@]12C[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C[C@H]1COCC2 ZINC000373596952 217035988 /nfs/dbraw/zinc/03/59/88/217035988.db2.gz SUIIXJWWSDYHPY-HNAYVOBHSA-N 2 0 367.490 0.487 10 0 FCAERP C[NH+]1CCN(c2cc(CNC(=O)N3CC[NH+]4CCC3CC4)ccn2)CC1 ZINC000375201586 217230923 /nfs/dbraw/zinc/23/09/23/217230923.db2.gz REAHCLSNAHQCAV-UHFFFAOYSA-N 2 0 358.490 0.823 10 0 FCAERP CN1CCN(C(=O)CC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000375889620 217330966 /nfs/dbraw/zinc/33/09/66/217330966.db2.gz KQFPNDPSHZGSPG-DFNIBXOVSA-N 2 0 363.550 0.393 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000419183551 246038778 /nfs/dbraw/zinc/03/87/78/246038778.db2.gz DNTOOOCZPPHBEB-LPHOPBHVSA-N 2 0 372.513 0.924 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419212790 246056127 /nfs/dbraw/zinc/05/61/27/246056127.db2.gz VFTPTWXSAOMYDC-BPQIPLTHSA-N 2 0 358.486 0.881 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419204385 246051162 /nfs/dbraw/zinc/05/11/62/246051162.db2.gz HVHKRRDNNTXMMQ-NXHRZFHOSA-N 2 0 358.486 0.881 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419205274 246052763 /nfs/dbraw/zinc/05/27/63/246052763.db2.gz JPVXRFLGUUPNPC-YOEHRIQHSA-N 2 0 362.474 0.357 10 0 FCAERP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C[N@@H+]1C1CC1 ZINC000419317204 246098306 /nfs/dbraw/zinc/09/83/06/246098306.db2.gz MNDWJKRACFYWTL-ZQGRMGSXSA-N 2 0 374.529 0.998 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419364286 246118711 /nfs/dbraw/zinc/11/87/11/246118711.db2.gz DXDFMVOXCGUDMP-WMLDXEAASA-N 2 0 358.486 0.316 10 0 FCAERP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000419379081 246125052 /nfs/dbraw/zinc/12/50/52/246125052.db2.gz WILVUULVFCRHAF-YESZJQIVSA-N 2 0 352.523 0.973 10 0 FCAERP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000419524196 246190379 /nfs/dbraw/zinc/19/03/79/246190379.db2.gz BMFPBIFEKGYCCK-XSCHDIRWSA-N 2 0 352.479 0.349 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000419483050 246177949 /nfs/dbraw/zinc/17/79/49/246177949.db2.gz RFXUTYNMPOLGNU-TWMKSMIVSA-N 2 0 352.523 0.975 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CCCCCC1 ZINC000419484027 246178785 /nfs/dbraw/zinc/17/87/85/246178785.db2.gz SLRBEZQPWHCSBC-UHFFFAOYSA-N 2 0 354.495 0.383 10 0 FCAERP C[C@@H]1C[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419565870 246204205 /nfs/dbraw/zinc/20/42/05/246204205.db2.gz OQHGKEMUKLCKJU-WBVHZDCISA-N 2 0 358.486 0.868 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CC3CC(C2)CC1C3 ZINC000419651270 246231748 /nfs/dbraw/zinc/23/17/48/246231748.db2.gz OULMLKDYWZALDD-PUGNBPNRSA-N 2 0 374.529 0.857 10 0 FCAERP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCCC1)C[NH+]1CCN(C)CC1 ZINC000419828135 246307886 /nfs/dbraw/zinc/30/78/86/246307886.db2.gz OVXKGOVDWLXEEJ-INIZCTEOSA-N 2 0 367.538 0.154 10 0 FCAERP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419830934 246310238 /nfs/dbraw/zinc/31/02/38/246310238.db2.gz QXGVOMLWLYKCQS-IAGOWNOFSA-N 2 0 359.474 0.421 10 0 FCAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000419936680 246378774 /nfs/dbraw/zinc/37/87/74/246378774.db2.gz UQKOOTKSKQKUIP-FUHWJXTLSA-N 2 0 358.486 0.993 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420095359 246463947 /nfs/dbraw/zinc/46/39/47/246463947.db2.gz FUNWRDFNONZNGD-PBHICJAKSA-N 2 0 364.465 0.830 10 0 FCAERP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000931692338 674131582 /nfs/dbraw/zinc/13/15/82/674131582.db2.gz LICRPGTUIVSLSN-LUKYLMHMSA-N 2 0 350.507 0.728 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423367790 247013823 /nfs/dbraw/zinc/01/38/23/247013823.db2.gz AQKKSTSIKJLYSG-UHFFFAOYSA-N 2 0 363.462 0.182 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423315401 247004078 /nfs/dbraw/zinc/00/40/78/247004078.db2.gz XKYWIQXBVRGPSD-DNVCBOLYSA-N 2 0 366.506 0.001 10 0 FCAERP C[C@@H](CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+](C)C1CC1 ZINC000931779758 674134093 /nfs/dbraw/zinc/13/40/93/674134093.db2.gz KUYHWJYPUKTWCH-MGBSGCIJSA-N 2 0 350.507 0.820 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000480821781 250285302 /nfs/dbraw/zinc/28/53/02/250285302.db2.gz WRUGRZSSIDMBPL-HNNXBMFYSA-N 2 0 357.524 0.776 10 0 FCAERP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1=O ZINC000073009969 208044352 /nfs/dbraw/zinc/04/43/52/208044352.db2.gz IZRPYVAKANMPRZ-MSOLQXFVSA-N 2 0 360.502 0.686 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000091858382 208140435 /nfs/dbraw/zinc/14/04/35/208140435.db2.gz RPOMCVJELNCFNI-SFHVURJKSA-N 2 0 369.554 0.766 10 0 FCAERP CNC(=O)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128253 208215881 /nfs/dbraw/zinc/21/58/81/208215881.db2.gz IMJFIMROWHFKGG-KRWDZBQOSA-N 2 0 362.474 0.819 10 0 FCAERP CNC(=O)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128257 208215969 /nfs/dbraw/zinc/21/59/69/208215969.db2.gz IMJFIMROWHFKGG-QGZVFWFLSA-N 2 0 362.474 0.819 10 0 FCAERP COCC[N@H+](C)CCNC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000108572388 208248357 /nfs/dbraw/zinc/24/83/57/208248357.db2.gz MLUGURKTDSFWPP-KRWDZBQOSA-N 2 0 355.527 0.376 10 0 FCAERP c1ncn([C@H]2CCC[NH+](CCOCC[N@@H+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000178637887 209054160 /nfs/dbraw/zinc/05/41/60/209054160.db2.gz UKDRVOBSYSMYTF-ROUUACIJSA-N 2 0 374.493 0.860 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194960974 229272514 /nfs/dbraw/zinc/27/25/14/229272514.db2.gz KEBREDMHMCPIPR-IXDOHACOSA-N 2 0 356.511 0.848 10 0 FCAERP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000410499355 230105833 /nfs/dbraw/zinc/10/58/33/230105833.db2.gz SCTUQYMKYNKUFS-QGZVFWFLSA-N 2 0 367.538 0.023 10 0 FCAERP CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000050993717 488119549 /nfs/dbraw/zinc/11/95/49/488119549.db2.gz SJRAAOKSYNTWAV-OAHLLOKOSA-N 2 0 350.507 0.968 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000073652123 488385688 /nfs/dbraw/zinc/38/56/88/488385688.db2.gz BKCLMHOTESZANG-MSOLQXFVSA-N 2 0 369.554 0.765 10 0 FCAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000245721400 488466089 /nfs/dbraw/zinc/46/60/89/488466089.db2.gz AUCJTRGANDWWRQ-VQHPVUNQSA-N 2 0 350.507 0.728 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248577184 488498121 /nfs/dbraw/zinc/49/81/21/488498121.db2.gz QALRFGFZOBYLDZ-CJNGLKHVSA-N 2 0 369.535 0.919 10 0 FCAERP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CCN1CC(C)(C)O ZINC000249352619 488509182 /nfs/dbraw/zinc/50/91/82/488509182.db2.gz KPGIKDSDVRSUJX-NVXWUHKLSA-N 2 0 353.507 0.933 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000261699344 488531292 /nfs/dbraw/zinc/53/12/92/488531292.db2.gz JQEOTYGBGPISAO-HSALFYBXSA-N 2 0 374.529 0.886 10 0 FCAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)C1 ZINC000261907262 488541009 /nfs/dbraw/zinc/54/10/09/488541009.db2.gz XAUWONMNPSOJPF-OKZBNKHCSA-N 2 0 352.523 0.757 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1=O ZINC000262024282 488546482 /nfs/dbraw/zinc/54/64/82/488546482.db2.gz OZGVAYQWPYCJAC-OAGGEKHMSA-N 2 0 350.507 0.905 10 0 FCAERP CCOc1ccc(NC(=O)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000562985633 491205854 /nfs/dbraw/zinc/20/58/54/491205854.db2.gz MGPMGZYUGQDDMO-INIZCTEOSA-N 2 0 350.463 0.222 10 0 FCAERP CC(C)C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NCC[NH+](C)C ZINC000120241199 488560808 /nfs/dbraw/zinc/56/08/08/488560808.db2.gz ZZWIOYWIRYLXEK-WBVHZDCISA-N 2 0 367.538 0.862 10 0 FCAERP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000272123652 488563710 /nfs/dbraw/zinc/56/37/10/488563710.db2.gz SUROVFZWBHAVAX-KBPBESRZSA-N 2 0 362.478 0.096 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000129446105 488631209 /nfs/dbraw/zinc/63/12/09/488631209.db2.gz DTMHIDIODVZYCB-IKGGRYGDSA-N 2 0 367.538 0.946 10 0 FCAERP C[C@@H]1CCN(CC(=O)N(C)CC(=O)N2CCOCC2)C[C@@H]1n1ccnc1 ZINC000129786535 488633651 /nfs/dbraw/zinc/63/36/51/488633651.db2.gz MHJSZFLCAIUMHM-CVEARBPZSA-N 2 0 363.462 0.083 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)C1 ZINC000130726430 488639846 /nfs/dbraw/zinc/63/98/46/488639846.db2.gz UUIXMKSPXODKCM-OWCLPIDISA-N 2 0 354.495 0.093 10 0 FCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(C)Cc2cnn(C)c2)CC1 ZINC000170941627 488818533 /nfs/dbraw/zinc/81/85/33/488818533.db2.gz QEKKKZKCVPPHJR-OAHLLOKOSA-N 2 0 351.495 0.403 10 0 FCAERP C[NH+]1CCN(c2cc(CNC(=O)N3CC[N@@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000171900445 488828211 /nfs/dbraw/zinc/82/82/11/488828211.db2.gz VQZSCWSEVULCIJ-KRWDZBQOSA-N 2 0 358.490 0.823 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)cn2)CC1 ZINC000173646671 488844125 /nfs/dbraw/zinc/84/41/25/488844125.db2.gz QCXLUDPIQIADHG-SFHVURJKSA-N 2 0 370.501 0.989 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000173987124 488846640 /nfs/dbraw/zinc/84/66/40/488846640.db2.gz LGYBPFWUNSOCSJ-QGZVFWFLSA-N 2 0 356.511 0.851 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000365513513 489082748 /nfs/dbraw/zinc/08/27/48/489082748.db2.gz PGFQNKKOBBDJHF-SJLPKXTDSA-N 2 0 368.522 0.992 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000570393807 491238159 /nfs/dbraw/zinc/23/81/59/491238159.db2.gz XRLJQHPBAYYRRJ-GFCCVEGCSA-N 2 0 364.402 0.375 10 0 FCAERP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000570426709 491240352 /nfs/dbraw/zinc/24/03/52/491240352.db2.gz XJFAGUAGSXKZOP-DLBZAZTESA-N 2 0 368.522 0.728 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369683600 489262839 /nfs/dbraw/zinc/26/28/39/489262839.db2.gz NEVZXIOKLXCBGQ-INIZCTEOSA-N 2 0 364.494 1.382 10 0 FCAERP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)[C@H]2C1 ZINC000570594096 491252134 /nfs/dbraw/zinc/25/21/34/491252134.db2.gz UBODBXHBCSKMJN-QKNQBKEWSA-N 2 0 373.497 0.945 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000563623566 491259233 /nfs/dbraw/zinc/25/92/33/491259233.db2.gz JFLJJUDPPAEZPT-YJBOKZPZSA-N 2 0 358.486 0.871 10 0 FCAERP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000423275093 489510772 /nfs/dbraw/zinc/51/07/72/489510772.db2.gz MUBZJSPLTVMSRY-INIZCTEOSA-N 2 0 367.538 0.058 10 0 FCAERP CC[C@H]1C[N@H+](CC)CCN1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000451726011 489519642 /nfs/dbraw/zinc/51/96/42/489519642.db2.gz QBMNZUSXOTWPKH-ZWKOTPCHSA-N 2 0 354.539 0.876 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000452108182 489546784 /nfs/dbraw/zinc/54/67/84/489546784.db2.gz DLEHUOJXSXNUEN-QZTJIDSGSA-N 2 0 354.539 0.874 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000372155577 489553067 /nfs/dbraw/zinc/55/30/67/489553067.db2.gz GGRGXPWTXQYVQO-KZNAEPCWSA-N 2 0 353.507 0.818 10 0 FCAERP CC[C@@H](COC)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000372817612 489639485 /nfs/dbraw/zinc/63/94/85/489639485.db2.gz IHWCFPDDJRRPPL-HOTGVXAUSA-N 2 0 363.506 0.848 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417179368 489644439 /nfs/dbraw/zinc/64/44/39/489644439.db2.gz FOECNLAZLARICR-MOPGFXCFSA-N 2 0 359.518 0.848 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000457514627 489647929 /nfs/dbraw/zinc/64/79/29/489647929.db2.gz MPXDUBGXQUCXTR-IAGOWNOFSA-N 2 0 356.511 0.489 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417394627 489651216 /nfs/dbraw/zinc/65/12/16/489651216.db2.gz VOAVCZFOILHZHI-IEBWSBKVSA-N 3 0 372.517 0.987 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000417419200 489652116 /nfs/dbraw/zinc/65/21/16/489652116.db2.gz CPISIDYHUMDXQH-IRXDYDNUSA-N 2 0 361.490 0.928 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)[C@@H](C)C1 ZINC000417672172 489661290 /nfs/dbraw/zinc/66/12/90/489661290.db2.gz RVPGZDZISOCHAZ-HOTGVXAUSA-N 2 0 354.495 0.507 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000417832024 489667989 /nfs/dbraw/zinc/66/79/89/489667989.db2.gz CRIRUTMMUSKNEK-GOEBONIOSA-N 2 0 367.538 0.910 10 0 FCAERP [NH3+][C@@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000418450719 489699452 /nfs/dbraw/zinc/69/94/52/489699452.db2.gz LWQDXENSHLQLAO-UONOGXRCSA-N 2 0 359.396 0.822 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@@H+]1C ZINC000418609500 489709435 /nfs/dbraw/zinc/70/94/35/489709435.db2.gz FQPHSWJLXSKJDQ-MGPQQGTHSA-N 2 0 365.444 0.947 10 0 FCAERP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418620391 489711296 /nfs/dbraw/zinc/71/12/96/489711296.db2.gz QRQAPKISPVYUDZ-ZJUUUORDSA-N 2 0 359.343 0.119 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CCCC1 ZINC000418826437 489740939 /nfs/dbraw/zinc/74/09/39/489740939.db2.gz CRUKUKWBFKWPTR-UHFFFAOYSA-N 2 0 361.490 0.668 10 0 FCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418827855 489742184 /nfs/dbraw/zinc/74/21/84/489742184.db2.gz HJSKJCZVYREDOV-JKSUJKDBSA-N 2 0 366.506 0.252 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)[NH+](C)C)c1 ZINC000418842065 489752447 /nfs/dbraw/zinc/75/24/47/489752447.db2.gz HEWNQGDNWQBPTK-XKQJLSEDSA-N 2 0 362.474 0.528 10 0 FCAERP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418861759 489762892 /nfs/dbraw/zinc/76/28/92/489762892.db2.gz NLLVWOVPYVETLO-WMZOPIPTSA-N 2 0 358.486 0.883 10 0 FCAERP CN1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000418899113 489781034 /nfs/dbraw/zinc/78/10/34/489781034.db2.gz BMAURERCPISJOI-GJZGRUSLSA-N 2 0 350.850 0.633 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[C@H]1c1ccccc1 ZINC000418911056 489786843 /nfs/dbraw/zinc/78/68/43/489786843.db2.gz PQQMVBZEBBMAII-IXDOHACOSA-N 2 0 360.458 0.124 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000570986363 491278792 /nfs/dbraw/zinc/27/87/92/491278792.db2.gz AMWRUQCDFOSOGK-YQQAZPJKSA-N 2 0 365.522 0.664 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCN2CCSCC2)CC1 ZINC000491016991 489792548 /nfs/dbraw/zinc/79/25/48/489792548.db2.gz DFYUZJGYWYMATF-QGZVFWFLSA-N 2 0 369.579 0.847 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418928260 489794269 /nfs/dbraw/zinc/79/42/69/489794269.db2.gz UTRLYTPESLKUTJ-IRXDYDNUSA-N 2 0 362.474 0.276 10 0 FCAERP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000418965334 489806206 /nfs/dbraw/zinc/80/62/06/489806206.db2.gz OPUJLZXPGKCHCS-HNNXBMFYSA-N 2 0 350.438 0.714 10 0 FCAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419025949 489822786 /nfs/dbraw/zinc/82/27/86/489822786.db2.gz ZRYHKHCGXDLXNG-GOSISDBHSA-N 2 0 374.485 0.393 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)[C@@H](C)C1 ZINC000419035158 489826971 /nfs/dbraw/zinc/82/69/71/489826971.db2.gz FLQSPWJTIVKKAJ-LUKYLMHMSA-N 2 0 368.522 0.354 10 0 FCAERP CC1=CC[NH+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000460235511 489856579 /nfs/dbraw/zinc/85/65/79/489856579.db2.gz XQPQAOZDWQTPJB-QGZVFWFLSA-N 2 0 363.506 0.586 10 0 FCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000420001191 489877342 /nfs/dbraw/zinc/87/73/42/489877342.db2.gz POOFWLNKOBYIFA-OAHLLOKOSA-N 2 0 350.463 0.676 10 0 FCAERP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCCC1 ZINC000420047436 489892345 /nfs/dbraw/zinc/89/23/45/489892345.db2.gz CQAMRRBEKVXJJJ-QGZVFWFLSA-N 2 0 350.507 0.955 10 0 FCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420095626 489910531 /nfs/dbraw/zinc/91/05/31/489910531.db2.gz FUNWRDFNONZNGD-WMLDXEAASA-N 2 0 364.465 0.830 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420108273 489914729 /nfs/dbraw/zinc/91/47/29/489914729.db2.gz XARXVISJUCFQQK-NJAFHUGGSA-N 2 0 358.486 0.834 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000420111737 489916547 /nfs/dbraw/zinc/91/65/47/489916547.db2.gz CXLOCEIZVMVGPY-RHSMWYFYSA-N 2 0 364.465 0.830 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000377566494 489921911 /nfs/dbraw/zinc/92/19/11/489921911.db2.gz UTMXXVADCZVUKK-OAHLLOKOSA-N 2 0 354.495 0.333 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000420135512 489925780 /nfs/dbraw/zinc/92/57/80/489925780.db2.gz VKPSUXMRSULQSI-KBAYOESNSA-N 2 0 358.486 0.976 10 0 FCAERP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000434721668 489952405 /nfs/dbraw/zinc/95/24/05/489952405.db2.gz ZBGDUNAHHSXFKZ-DOMZBBRYSA-N 2 0 364.446 0.049 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000477683861 489984728 /nfs/dbraw/zinc/98/47/28/489984728.db2.gz SKRRYQPAMIWULX-HOCLYGCPSA-N 2 0 350.507 0.966 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000477701385 489985479 /nfs/dbraw/zinc/98/54/79/489985479.db2.gz LAJUSKIKRZCFMC-PBHICJAKSA-N 2 0 350.507 0.824 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000441802595 490056909 /nfs/dbraw/zinc/05/69/09/490056909.db2.gz PPFGBVKQCIYDQW-UHFFFAOYSA-N 2 0 370.457 1.442 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000382750667 490129666 /nfs/dbraw/zinc/12/96/66/490129666.db2.gz FRMZZRFWDLBGRT-SJLPKXTDSA-N 2 0 367.515 0.901 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000571336002 491301647 /nfs/dbraw/zinc/30/16/47/491301647.db2.gz GWYJPXNGWWXGGF-UHFFFAOYSA-N 2 0 355.527 0.422 10 0 FCAERP CN(C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000465962684 490157878 /nfs/dbraw/zinc/15/78/78/490157878.db2.gz WHPOBBDBJPVNKM-ZBFHGGJFSA-N 2 0 351.495 0.452 10 0 FCAERP CN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000394113747 490161425 /nfs/dbraw/zinc/16/14/25/490161425.db2.gz SXOIRJPCSXDZAJ-SFHVURJKSA-N 2 0 367.515 0.901 10 0 FCAERP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000520774524 490188962 /nfs/dbraw/zinc/18/89/62/490188962.db2.gz RVJFPDIDPJGOJE-KRWDZBQOSA-N 2 0 367.538 0.119 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C(C)C)C1 ZINC000422300441 490241285 /nfs/dbraw/zinc/24/12/85/490241285.db2.gz UBDWJQOERRMBRN-HOTGVXAUSA-N 2 0 354.495 0.155 10 0 FCAERP CC[NH+]1CCN(CC(=O)NCC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000467546787 490308963 /nfs/dbraw/zinc/30/89/63/490308963.db2.gz PQJDKGKMXGGUFQ-UHFFFAOYSA-N 2 0 352.523 0.775 10 0 FCAERP C[NH+]1CCC([C@H]2OCC[C@@H]2C(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000408473955 490345718 /nfs/dbraw/zinc/34/57/18/490345718.db2.gz VKGIJDVBQXQVOK-ZWKOTPCHSA-N 2 0 353.507 0.554 10 0 FCAERP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000547745384 490351309 /nfs/dbraw/zinc/35/13/09/490351309.db2.gz ZIIDQEGTRVPNHC-OAHLLOKOSA-N 2 0 352.523 0.506 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000535428722 490490459 /nfs/dbraw/zinc/49/04/59/490490459.db2.gz APUFQBJHEDWAIP-BHYGNILZSA-N 2 0 367.538 0.861 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422911923 490495814 /nfs/dbraw/zinc/49/58/14/490495814.db2.gz UWDRHHQTENLQBT-RBUKOAKNSA-N 2 0 360.502 0.835 10 0 FCAERP CC[NH+]1CCN(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000535635534 490508760 /nfs/dbraw/zinc/50/87/60/490508760.db2.gz OPRWVOZPDTZLKF-PMACEKPBSA-N 2 0 374.529 0.623 10 0 FCAERP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423056121 490531889 /nfs/dbraw/zinc/53/18/89/490531889.db2.gz FBACLMQXRISZGT-MSOLQXFVSA-N 2 0 358.486 0.930 10 0 FCAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000525815014 490636877 /nfs/dbraw/zinc/63/68/77/490636877.db2.gz UYZPTNMSJFWICF-HZPDHXFCSA-N 2 0 353.511 0.747 10 0 FCAERP C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000512468080 490683770 /nfs/dbraw/zinc/68/37/70/490683770.db2.gz HZURUKXGSREDRB-MAUKXSAKSA-N 2 0 350.507 0.524 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000557010253 491349387 /nfs/dbraw/zinc/34/93/87/491349387.db2.gz WDXIFVIJSCCWDR-OAHLLOKOSA-N 2 0 362.449 0.856 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487685467 490725605 /nfs/dbraw/zinc/72/56/05/490725605.db2.gz CQZXNAIXYPGYIS-KZNAEPCWSA-N 2 0 368.522 0.774 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487685464 490725905 /nfs/dbraw/zinc/72/59/05/490725905.db2.gz CQZXNAIXYPGYIS-KURKYZTESA-N 2 0 368.522 0.774 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000514601651 490774097 /nfs/dbraw/zinc/77/40/97/490774097.db2.gz YWQPJGGVFDYJPP-CQSZACIVSA-N 2 0 350.419 0.796 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000514616360 490775659 /nfs/dbraw/zinc/77/56/59/490775659.db2.gz OEDJUOYYBYNPOJ-HNNXBMFYSA-N 2 0 365.522 0.927 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000514736711 490785884 /nfs/dbraw/zinc/78/58/84/490785884.db2.gz QTJOIFYLIJEEEB-INIZCTEOSA-N 2 0 353.511 0.713 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000514873879 490794890 /nfs/dbraw/zinc/79/48/90/490794890.db2.gz ZLEXQHIEPIMWMI-UHFFFAOYSA-N 2 0 369.535 0.954 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000515255446 490815025 /nfs/dbraw/zinc/81/50/25/490815025.db2.gz CZFARPMLOVVINU-CABCVRRESA-N 2 0 356.511 0.137 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529308515 490849303 /nfs/dbraw/zinc/84/93/03/490849303.db2.gz ULCVJRFFELLDEM-ZWKOTPCHSA-N 2 0 368.522 0.897 10 0 FCAERP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)S(C)(=O)=O ZINC000516571254 490868932 /nfs/dbraw/zinc/86/89/32/490868932.db2.gz PEAHDVBPYUWYDO-IYBDPMFKSA-N 2 0 374.551 0.094 10 0 FCAERP COc1ccc([C@H](C[NH3+])CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000530223854 490893490 /nfs/dbraw/zinc/89/34/90/490893490.db2.gz PXDRUSXAFAEGBG-QGZVFWFLSA-N 2 0 361.490 0.380 10 0 FCAERP Cc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c(N2CCOCC2)c1 ZINC000517230555 490900396 /nfs/dbraw/zinc/90/03/96/490900396.db2.gz GKXYCDMIOGROCP-LJQANCHMSA-N 2 0 362.518 0.530 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000517384474 490907038 /nfs/dbraw/zinc/90/70/38/490907038.db2.gz BKRAHECZHDSSGZ-RDJZCZTQSA-N 2 0 366.506 0.156 10 0 FCAERP [NH3+]C1(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C2CC3CC(C2)CC1C3 ZINC000517739437 490918759 /nfs/dbraw/zinc/91/87/59/490918759.db2.gz PTMZFCPODNPWOC-INCKADGYSA-N 2 0 358.490 0.914 10 0 FCAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000519727260 490986762 /nfs/dbraw/zinc/98/67/62/490986762.db2.gz DUSKZPODMAYLRB-UCHQMPSGSA-N 2 0 350.507 0.963 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC12CCSCC2 ZINC000569684458 491181314 /nfs/dbraw/zinc/18/13/14/491181314.db2.gz BOFRSHOIWMYKOJ-OAHLLOKOSA-N 2 0 370.563 0.588 10 0 FCAERP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)CN1CCOCC1 ZINC000569715997 491184996 /nfs/dbraw/zinc/18/49/96/491184996.db2.gz YOQNNNKQXMBINP-FQEVSTJZSA-N 2 0 363.502 0.426 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000569732611 491187123 /nfs/dbraw/zinc/18/71/23/491187123.db2.gz FNIDBEKZFRQTQX-UHFFFAOYSA-N 2 0 366.506 0.204 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000565315971 491369715 /nfs/dbraw/zinc/36/97/15/491369715.db2.gz SLOOVOVAEMLZMZ-AEFFLSMTSA-N 2 0 360.502 0.734 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCC[NH+]2CCOC)C[C@H]1C ZINC000557492678 491378106 /nfs/dbraw/zinc/37/81/06/491378106.db2.gz GCTOASFYZOOWHH-IXDOHACOSA-N 2 0 368.522 0.545 10 0 FCAERP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)CCOC3C[NH2+]C3)cc2)CC1 ZINC000572876328 491399563 /nfs/dbraw/zinc/39/95/63/491399563.db2.gz ACPADPDNHYXIHG-UHFFFAOYSA-N 2 0 374.485 0.743 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCO1 ZINC000668360193 493340359 /nfs/dbraw/zinc/34/03/59/493340359.db2.gz VBSXAQXDDALZBM-INIZCTEOSA-N 2 0 368.522 0.546 10 0 FCAERP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000566001406 491411603 /nfs/dbraw/zinc/41/16/03/491411603.db2.gz ADCIGYRFOGYNED-KRWDZBQOSA-N 2 0 368.522 0.546 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000558106935 491414699 /nfs/dbraw/zinc/41/46/99/491414699.db2.gz GAJXSQOEPMLAJA-OAHLLOKOSA-N 2 0 350.507 0.991 10 0 FCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566212608 491426663 /nfs/dbraw/zinc/42/66/63/491426663.db2.gz VGIDXACZHGAAEW-GJRWTSMGSA-N 2 0 351.491 0.733 10 0 FCAERP CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000668374105 493342506 /nfs/dbraw/zinc/34/25/06/493342506.db2.gz SRANVHFDRHOFNF-MRXNPFEDSA-N 2 0 354.495 0.156 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000566304047 491434017 /nfs/dbraw/zinc/43/40/17/491434017.db2.gz ORTOPQCCAOLDAP-KSZLIROESA-N 3 0 352.523 0.391 10 0 FCAERP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000573845226 491458734 /nfs/dbraw/zinc/45/87/34/491458734.db2.gz SUSGQIRCKZRVID-UHFFFAOYSA-N 2 0 351.375 0.696 10 0 FCAERP CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000566922948 491475693 /nfs/dbraw/zinc/47/56/93/491475693.db2.gz CTKSXWJOCSJYKH-QGZVFWFLSA-N 2 0 364.490 0.736 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000574392863 491493026 /nfs/dbraw/zinc/49/30/26/491493026.db2.gz JLXNZCNNNPTDAF-FQEVSTJZSA-N 2 0 364.509 0.988 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCOc2ccc(C(F)(F)F)cn2)CC1 ZINC000574512372 491501878 /nfs/dbraw/zinc/50/18/78/491501878.db2.gz MCCRKZVLBRXEGG-CQSZACIVSA-N 2 0 362.396 0.677 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000574823062 491522150 /nfs/dbraw/zinc/52/21/50/491522150.db2.gz GRSUWDFRJQWSCK-SJORKVTESA-N 2 0 365.522 0.855 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(CN3CCOCC3)CCCCC2)CC1 ZINC000567684898 491523170 /nfs/dbraw/zinc/52/31/70/491523170.db2.gz QIIFPYULYYHWFI-LJQANCHMSA-N 2 0 368.566 0.467 10 0 FCAERP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000574884516 491525876 /nfs/dbraw/zinc/52/58/76/491525876.db2.gz QHRBHQZATZHSIL-INIZCTEOSA-N 2 0 354.495 0.156 10 0 FCAERP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000574910980 491527287 /nfs/dbraw/zinc/52/72/87/491527287.db2.gz JBPFVEYBLZPRMB-CUSZFKRNSA-N 2 0 360.502 0.815 10 0 FCAERP Cc1nn(C)c(C)c1[C@@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])C(F)(F)F ZINC000575233589 491546708 /nfs/dbraw/zinc/54/67/08/491546708.db2.gz OWSSNOUAWCKHKG-DGCLKSJQSA-N 2 0 362.400 0.925 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000560654946 491549842 /nfs/dbraw/zinc/54/98/42/491549842.db2.gz BHYSJYVGJLWQSK-AWEZNQCLSA-N 2 0 373.457 0.092 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000575974042 491573420 /nfs/dbraw/zinc/57/34/20/491573420.db2.gz WPAIGUYVZICUMI-IBGZPJMESA-N 2 0 350.507 0.827 10 0 FCAERP CN1CCC(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])([NH+]2CCCCC2)CC1 ZINC000561180859 491581097 /nfs/dbraw/zinc/58/10/97/491581097.db2.gz GXJRWLHUVWRICB-KRWDZBQOSA-N 2 0 366.554 0.221 10 0 FCAERP CN1CC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000584498283 491597195 /nfs/dbraw/zinc/59/71/95/491597195.db2.gz IHYLBVASKJCWAL-AYOQOUSVSA-N 2 0 368.472 0.908 10 0 FCAERP CN1CC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000584498282 491597842 /nfs/dbraw/zinc/59/78/42/491597842.db2.gz IHYLBVASKJCWAL-ATZDWAIDSA-N 2 0 368.472 0.908 10 0 FCAERP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCOC2(C[NH2+]C2)C1 ZINC000576373904 491609001 /nfs/dbraw/zinc/60/90/01/491609001.db2.gz IUNPIEQSURQHFY-GOSISDBHSA-N 2 0 374.485 0.661 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C2CC3CC(C2)CC1C3 ZINC000576450868 491615880 /nfs/dbraw/zinc/61/58/80/491615880.db2.gz UNGOOIYVPRAMDR-KVZDKTTDSA-N 2 0 374.529 0.999 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000568966877 491622580 /nfs/dbraw/zinc/62/25/80/491622580.db2.gz LQKSULKOLMHIJA-LJQANCHMSA-N 2 0 350.507 0.827 10 0 FCAERP CC(=O)NCC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000561931874 491640991 /nfs/dbraw/zinc/64/09/91/491640991.db2.gz NHGAGCPDYQTJNC-MRXNPFEDSA-N 2 0 350.507 0.968 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000577731810 491647050 /nfs/dbraw/zinc/64/70/50/491647050.db2.gz UJAQMJPNLSOFEH-AWEZNQCLSA-N 2 0 364.446 0.190 10 0 FCAERP [NH3+]C[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC12CCOCC2 ZINC000576943300 491658389 /nfs/dbraw/zinc/65/83/89/491658389.db2.gz BJJXUTYTXTXLEI-IXDOHACOSA-N 2 0 351.491 0.844 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000578320200 491674595 /nfs/dbraw/zinc/67/45/95/491674595.db2.gz FOAFFOXUUPMYJS-OAHLLOKOSA-N 2 0 355.479 0.807 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000579353778 491696089 /nfs/dbraw/zinc/69/60/89/491696089.db2.gz ITTGFELVUXSZDK-GFCCVEGCSA-N 2 0 365.450 0.337 10 0 FCAERP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000579934114 491709810 /nfs/dbraw/zinc/70/98/10/491709810.db2.gz QNMLGQXCAVGVCB-HNNXBMFYSA-N 3 0 363.506 0.274 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000580473322 491733023 /nfs/dbraw/zinc/73/30/23/491733023.db2.gz GQMHAOXZHPNSGT-RTBURBONSA-N 2 0 372.513 0.972 10 0 FCAERP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000580904032 491751164 /nfs/dbraw/zinc/75/11/64/491751164.db2.gz ZWYVKGPWERVBDM-ICSRJNTNSA-N 2 0 363.502 0.832 10 0 FCAERP C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000581146701 491761313 /nfs/dbraw/zinc/76/13/13/491761313.db2.gz ZILKAELHHKKZRB-KRWDZBQOSA-N 2 0 368.522 0.453 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000660548419 493361112 /nfs/dbraw/zinc/36/11/12/493361112.db2.gz SAUXTXPIIDLTIK-UHFFFAOYSA-N 2 0 361.490 0.681 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000581721350 491784231 /nfs/dbraw/zinc/78/42/31/491784231.db2.gz QYJIBPISQOQYON-LSDHHAIUSA-N 2 0 354.445 0.741 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000582052983 491795741 /nfs/dbraw/zinc/79/57/41/491795741.db2.gz YQIFATQAEPHDGX-MNFFZHCASA-N 2 0 352.479 0.347 10 0 FCAERP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000582108415 491798324 /nfs/dbraw/zinc/79/83/24/491798324.db2.gz HNYNAAOXSUDJSW-YVSFHVDLSA-N 2 0 350.507 0.824 10 0 FCAERP CSC1(CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)CC[NH+](C)CC1 ZINC000592000077 491827277 /nfs/dbraw/zinc/82/72/77/491827277.db2.gz QPMDZTDAZUMPSA-AWEZNQCLSA-N 2 0 371.551 0.575 10 0 FCAERP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)[C@@H]1SC ZINC000592168213 491834931 /nfs/dbraw/zinc/83/49/31/491834931.db2.gz GYZNNPDHNMHKGI-LHHMISFZSA-N 2 0 373.563 0.958 10 0 FCAERP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@@H](O)CN3CCOCC3)cc2)CC1 ZINC000584287318 491862278 /nfs/dbraw/zinc/86/22/78/491862278.db2.gz CFNZIPHYWDKHLP-GOSISDBHSA-N 2 0 363.502 0.942 10 0 FCAERP C[N@H+](CCCCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000611936287 491884042 /nfs/dbraw/zinc/88/40/42/491884042.db2.gz KZUGVXLQUHESDP-KRWDZBQOSA-N 2 0 366.506 0.035 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612026718 491891825 /nfs/dbraw/zinc/89/18/25/491891825.db2.gz LXDHPKUXGONBCY-KRWDZBQOSA-N 2 0 368.522 0.450 10 0 FCAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000612485852 491925003 /nfs/dbraw/zinc/92/50/03/491925003.db2.gz NSEXZVBOEQLIPW-RDJZCZTQSA-N 2 0 350.507 0.918 10 0 FCAERP CCC[NH2+]CCNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612916455 491958322 /nfs/dbraw/zinc/95/83/22/491958322.db2.gz ZXKQOGGDOHQOAY-HNNXBMFYSA-N 2 0 363.510 0.708 10 0 FCAERP COC(=O)CCN1CCC[C@H]([NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)C1=O ZINC000595890319 491959134 /nfs/dbraw/zinc/95/91/34/491959134.db2.gz CMRSIXHRLUSVIV-ULQDDVLXSA-N 2 0 367.490 0.759 10 0 FCAERP COC(=O)CN1CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000597186051 492021682 /nfs/dbraw/zinc/02/16/82/492021682.db2.gz DSOCWJYUZHLLJC-IBGZPJMESA-N 2 0 361.486 0.980 10 0 FCAERP CCC(=O)N1CCCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000614357667 492025888 /nfs/dbraw/zinc/02/58/88/492025888.db2.gz SWIXZUXAQUCKPD-QGZVFWFLSA-N 2 0 368.522 0.404 10 0 FCAERP CCN(C(=O)CSCC(=O)N(CC)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000597944988 492074277 /nfs/dbraw/zinc/07/42/77/492074277.db2.gz FWAVSBBPHUAAIJ-IYBDPMFKSA-N 2 0 370.563 0.825 10 0 FCAERP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000606690798 492126855 /nfs/dbraw/zinc/12/68/55/492126855.db2.gz NFFSJNNLPDUPAN-KFWWJZLASA-N 2 0 351.495 0.498 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CC[C@H](C(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000618189835 492214960 /nfs/dbraw/zinc/21/49/60/492214960.db2.gz YHVJSKYKYOXQFR-CALCHBBNSA-N 2 0 350.507 0.443 10 0 FCAERP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000618307725 492222012 /nfs/dbraw/zinc/22/20/12/492222012.db2.gz QUCAAAYZPNZAFH-UHFFFAOYSA-N 2 0 360.502 0.913 10 0 FCAERP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CS(=O)(=O)NC(C)(C)C ZINC000618658558 492233485 /nfs/dbraw/zinc/23/34/85/492233485.db2.gz YGPGAOLWYIOGOR-UHFFFAOYSA-N 2 0 362.540 0.189 10 0 FCAERP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627444867 492298051 /nfs/dbraw/zinc/29/80/51/492298051.db2.gz YSSBBKZOLBJKOP-MRXNPFEDSA-N 2 0 366.506 0.347 10 0 FCAERP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000627446002 492298961 /nfs/dbraw/zinc/29/89/61/492298961.db2.gz DGRVTDYCMGRSEX-HNNXBMFYSA-N 2 0 373.457 0.140 10 0 FCAERP C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627445825 492299016 /nfs/dbraw/zinc/29/90/16/492299016.db2.gz ZHGZAKJVMLFZMZ-INIZCTEOSA-N 2 0 350.507 0.968 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(CCc2cccs2)CC1 ZINC000627457179 492303963 /nfs/dbraw/zinc/30/39/63/492303963.db2.gz NIHMJUVKARYZLC-JKSUJKDBSA-N 2 0 364.515 0.692 10 0 FCAERP 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CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)C[C@H](C)[NH2+]1 ZINC000620903311 492343777 /nfs/dbraw/zinc/34/37/77/492343777.db2.gz MFHPKDRLLSXNCQ-YLFCFFPRSA-N 2 0 350.507 0.918 10 0 FCAERP C[C@H](C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C)N1CCN(C)CC1 ZINC000620915344 492344536 /nfs/dbraw/zinc/34/45/36/492344536.db2.gz ISKJWWMTLDDKCP-IAGOWNOFSA-N 2 0 352.523 0.724 10 0 FCAERP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000642305590 492349727 /nfs/dbraw/zinc/34/97/27/492349727.db2.gz NBARFBQTAARCPZ-CRAIPNDOSA-N 2 0 374.485 0.473 10 0 FCAERP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000634701582 492360315 /nfs/dbraw/zinc/36/03/15/492360315.db2.gz RSSAVPJHDJUJIS-QGZVFWFLSA-N 2 0 364.490 0.216 10 0 FCAERP C[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000634729777 492365129 /nfs/dbraw/zinc/36/51/29/492365129.db2.gz WHWRKGLEQSBZLH-NVXWUHKLSA-N 2 0 369.531 0.392 10 0 FCAERP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640938 492369397 /nfs/dbraw/zinc/36/93/97/492369397.db2.gz OWPMWCLZDIGKQG-KZNAEPCWSA-N 2 0 358.486 0.868 10 0 FCAERP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654907558 492375455 /nfs/dbraw/zinc/37/54/55/492375455.db2.gz LCUPYAAXXYSPKF-JKSUJKDBSA-N 2 0 360.458 0.007 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000642894622 492398308 /nfs/dbraw/zinc/39/83/08/492398308.db2.gz STEOUYPMCFAQMO-QGZVFWFLSA-N 2 0 361.490 0.667 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1F ZINC000621839167 492422167 /nfs/dbraw/zinc/42/21/67/492422167.db2.gz OQHKOIZARFIHJP-DNVCBOLYSA-N 2 0 362.449 0.843 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)c1ccc(C(=O)N(C)CC2C[NH+](C)C2)cc1 ZINC000622161599 492460227 /nfs/dbraw/zinc/46/02/27/492460227.db2.gz AWMNRFDIUDFJJD-UHFFFAOYSA-N 2 0 358.486 0.954 10 0 FCAERP 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C[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656025163 492520185 /nfs/dbraw/zinc/52/01/85/492520185.db2.gz ARFYFWLWPVYQQM-KFWWJZLASA-N 2 0 352.479 0.026 10 0 FCAERP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024189 492520582 /nfs/dbraw/zinc/52/05/82/492520582.db2.gz NVEXYEOQSFYLPV-RGGMIXCSSA-N 2 0 366.506 0.105 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000656039861 492522115 /nfs/dbraw/zinc/52/21/15/492522115.db2.gz JLPIDMNVOKDBSK-XBVQOTNRSA-N 2 0 366.506 0.188 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000656039860 492522423 /nfs/dbraw/zinc/52/24/23/492522423.db2.gz JLPIDMNVOKDBSK-PQEBFOHHSA-N 2 0 366.506 0.188 10 0 FCAERP CC1(OCC(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C[NH2+]C1 ZINC000649332349 492536540 /nfs/dbraw/zinc/53/65/40/492536540.db2.gz VHIUERPZMDUJFH-UHFFFAOYSA-N 2 0 360.458 0.829 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000649488267 492557685 /nfs/dbraw/zinc/55/76/85/492557685.db2.gz INICTAFQMXSFGQ-CQSZACIVSA-N 2 0 357.401 0.749 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656296789 492575021 /nfs/dbraw/zinc/57/50/21/492575021.db2.gz OGSWQTOGHGRTFP-SJORKVTESA-N 2 0 366.506 0.348 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000623663942 492579985 /nfs/dbraw/zinc/57/99/85/492579985.db2.gz IUQQVNVMCNQJJE-UHFFFAOYSA-N 2 0 356.511 0.851 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H]2C2(O)CC2)C1 ZINC000656692045 492641917 /nfs/dbraw/zinc/64/19/17/492641917.db2.gz YNZHVOLTTKXSBX-IAGOWNOFSA-N 2 0 353.507 0.839 10 0 FCAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000629537639 492641983 /nfs/dbraw/zinc/64/19/83/492641983.db2.gz KMRQBTGLKHNNOI-OAHLLOKOSA-N 2 0 371.503 0.724 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1=O ZINC000650641586 492657571 /nfs/dbraw/zinc/65/75/71/492657571.db2.gz DBXSAKIVLBUUEK-UHFFFAOYSA-N 2 0 373.501 0.460 10 0 FCAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650657061 492658594 /nfs/dbraw/zinc/65/85/94/492658594.db2.gz MQEKCIJWCMJGDY-KRWDZBQOSA-N 2 0 367.538 0.914 10 0 FCAERP C[C@@H]1CCC[C@](CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)([NH+](C)C)C1 ZINC000650725137 492664110 /nfs/dbraw/zinc/66/41/10/492664110.db2.gz UHTNVIZTRRRZLA-APWZRJJASA-N 2 0 367.538 0.912 10 0 FCAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650730863 492664590 /nfs/dbraw/zinc/66/45/90/492664590.db2.gz JLMVJWACMREFBJ-HZPDHXFCSA-N 2 0 353.511 0.522 10 0 FCAERP C[NH+](C)CCC1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629792848 492673550 /nfs/dbraw/zinc/67/35/50/492673550.db2.gz CVAYMIRZHKIKMU-KDURUIRLSA-N 2 0 350.507 0.635 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000629805172 492681080 /nfs/dbraw/zinc/68/10/80/492681080.db2.gz OZVLURZZGBCIPO-HZPDHXFCSA-N 2 0 366.506 0.286 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000629804928 492681158 /nfs/dbraw/zinc/68/11/58/492681158.db2.gz NGPHBCPUBKYINW-CVEARBPZSA-N 2 0 366.506 0.299 10 0 FCAERP CC(C)[NH+](CCCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C(C)C ZINC000650946663 492687184 /nfs/dbraw/zinc/68/71/84/492687184.db2.gz IGNZDMGBRDQRCK-UHFFFAOYSA-N 2 0 355.527 0.911 10 0 FCAERP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000629817129 492687296 /nfs/dbraw/zinc/68/72/96/492687296.db2.gz KIXQJHJVRWJKTH-HNNXBMFYSA-N 2 0 366.506 0.286 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cnn2c1OCCC2 ZINC000657071309 492709288 /nfs/dbraw/zinc/70/92/88/492709288.db2.gz JKDJSHJLUWXGBS-ZDUSSCGKSA-N 2 0 359.496 0.216 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2CCN(c3ccccc3)CC2)CC1 ZINC000644519838 492781705 /nfs/dbraw/zinc/78/17/05/492781705.db2.gz PDOPTCPIQPCCPB-FQEVSTJZSA-N 2 0 361.534 0.007 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000625472301 492792023 /nfs/dbraw/zinc/79/20/23/492792023.db2.gz PPYUHJIULZIUGR-MRXNPFEDSA-N 2 0 354.495 0.156 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000625552297 492818150 /nfs/dbraw/zinc/81/81/50/492818150.db2.gz NOVLHNVABDGHFW-NVXWUHKLSA-N 2 0 350.507 0.920 10 0 FCAERP O=C1NC(=O)C2(CCC([NH2+]Cc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)CC2)N1 ZINC000658134349 492843295 /nfs/dbraw/zinc/84/32/95/492843295.db2.gz AKZJHNPVOLQTTG-OHTSDLOESA-N 2 0 372.469 0.864 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1ccccc1C[NH+]1CCCC1 ZINC000631909728 492875570 /nfs/dbraw/zinc/87/55/70/492875570.db2.gz NNCSZKTUBPQDSG-QGZVFWFLSA-N 2 0 353.488 0.690 10 0 FCAERP CC[NH+](CC)[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000631912571 492879576 /nfs/dbraw/zinc/87/95/76/492879576.db2.gz PPZKKHRMZSEFHY-QZTJIDSGSA-N 2 0 369.531 0.847 10 0 FCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631914728 492880782 /nfs/dbraw/zinc/88/07/82/492880782.db2.gz WENOQXHXTVAOME-OIISXLGYSA-N 2 0 353.488 0.730 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652123963 492883011 /nfs/dbraw/zinc/88/30/11/492883011.db2.gz HMEBOPRCUCYHNN-BRWVUGGUSA-N 2 0 355.527 0.264 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000652225232 492896637 /nfs/dbraw/zinc/89/66/37/492896637.db2.gz TYQBDGAUCRPDSJ-QGZVFWFLSA-N 2 0 367.538 0.818 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000652287865 492906984 /nfs/dbraw/zinc/90/69/84/492906984.db2.gz LACPRFMJJGQILS-GOSISDBHSA-N 2 0 373.501 0.854 10 0 FCAERP O=S(=O)(NC1CC1)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000652340856 492911997 /nfs/dbraw/zinc/91/19/97/492911997.db2.gz JQWRAJYDNOUJKA-KRWDZBQOSA-N 2 0 364.515 0.607 10 0 FCAERP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347544 492912964 /nfs/dbraw/zinc/91/29/64/492912964.db2.gz DHUJKGZCGLPLAD-WBTNSWJXSA-N 2 0 366.506 0.330 10 0 FCAERP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347542 492913213 /nfs/dbraw/zinc/91/32/13/492913213.db2.gz DHUJKGZCGLPLAD-DLTWYDFYSA-N 2 0 366.506 0.330 10 0 FCAERP CCO[C@@H]1CN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C[C@H]1C[NH3+] ZINC000652380396 492920372 /nfs/dbraw/zinc/92/03/72/492920372.db2.gz RSHLXPSYIDWNMO-HUUCEWRRSA-N 2 0 373.523 0.046 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000652394710 492923452 /nfs/dbraw/zinc/92/34/52/492923452.db2.gz BITYTMOAOGJMRV-UHFFFAOYSA-N 2 0 361.490 0.824 10 0 FCAERP C[NH+](C)CC1CCC(NS(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632132173 492936207 /nfs/dbraw/zinc/93/62/07/492936207.db2.gz JZEYJKOHKARXRV-UHFFFAOYSA-N 2 0 360.568 0.664 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658567508 492958058 /nfs/dbraw/zinc/95/80/58/492958058.db2.gz FSDNRWYHKLALNW-SFHVURJKSA-N 2 0 372.513 0.987 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000652669114 492983404 /nfs/dbraw/zinc/98/34/04/492983404.db2.gz WGPRLWCJEOPEEK-QGZVFWFLSA-N 2 0 374.485 0.115 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000652672111 492984017 /nfs/dbraw/zinc/98/40/17/492984017.db2.gz YZHZLAFVKBJINE-CVEARBPZSA-N 2 0 366.506 0.116 10 0 FCAERP C[N@H+](CCN1CCN(C(=O)CCOC2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000645933485 492989463 /nfs/dbraw/zinc/98/94/63/492989463.db2.gz DSJMSSAPPQKEOO-UHFFFAOYSA-N 2 0 360.502 0.641 10 0 FCAERP C[NH+]1CCC(N2CC[C@H](NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)C2)CC1 ZINC000645977766 492994803 /nfs/dbraw/zinc/99/48/03/492994803.db2.gz LIRCUWODYQETTJ-GOEBONIOSA-N 2 0 361.494 0.101 10 0 FCAERP C[NH+]1CCC(N2CC[C@H](NC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)C2)CC1 ZINC000645977767 492995255 /nfs/dbraw/zinc/99/52/55/492995255.db2.gz LIRCUWODYQETTJ-HOCLYGCPSA-N 2 0 361.494 0.101 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652713363 492998535 /nfs/dbraw/zinc/99/85/35/492998535.db2.gz MBPAQMTXGNMSNK-QGZVFWFLSA-N 2 0 358.486 0.965 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000652726902 493005996 /nfs/dbraw/zinc/00/59/96/493005996.db2.gz UDPBDPPENVPADG-IAGOWNOFSA-N 2 0 366.506 0.143 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000652728557 493006887 /nfs/dbraw/zinc/00/68/87/493006887.db2.gz PWDVOBMUGMIVEJ-NVXWUHKLSA-N 2 0 366.506 0.286 10 0 FCAERP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000626802570 493021621 /nfs/dbraw/zinc/02/16/21/493021621.db2.gz YCXXQUGSBXPPAI-INIZCTEOSA-N 2 0 358.442 0.804 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C[NH2+]1 ZINC000626888824 493051803 /nfs/dbraw/zinc/05/18/03/493051803.db2.gz PTOPUUPCIWOUHU-MAUKXSAKSA-N 2 0 373.501 0.629 10 0 FCAERP CCN(C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658808169 493063878 /nfs/dbraw/zinc/06/38/78/493063878.db2.gz UULPDFRVRMEKFE-QGZVFWFLSA-N 2 0 350.507 0.873 10 0 FCAERP C[NH+](C)CCOc1cccc(CNC(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000626931628 493066624 /nfs/dbraw/zinc/06/66/24/493066624.db2.gz JTWFUUWAOFMRFU-UHFFFAOYSA-N 2 0 350.463 0.934 10 0 FCAERP CCN(C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000658819755 493068322 /nfs/dbraw/zinc/06/83/22/493068322.db2.gz AMWZCKGQZCRBMU-INIZCTEOSA-N 2 0 366.506 0.252 10 0 FCAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653114627 493072876 /nfs/dbraw/zinc/07/28/76/493072876.db2.gz POKSWLXWKNBKMV-VXNCWWDNSA-N 2 0 350.507 0.239 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2)[C@H]1CC[N@H+](CC)C1 ZINC000658827919 493074778 /nfs/dbraw/zinc/07/47/78/493074778.db2.gz YISWSJDKGOITBC-LPHOPBHVSA-N 2 0 350.507 0.873 10 0 FCAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000626986209 493075939 /nfs/dbraw/zinc/07/59/39/493075939.db2.gz DGIAFRDILUFMDQ-YTQUADARSA-N 2 0 351.539 0.901 10 0 FCAERP CCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658830144 493076691 /nfs/dbraw/zinc/07/66/91/493076691.db2.gz QGUAYHFTJWEGDR-QGZVFWFLSA-N 2 0 359.474 0.673 10 0 FCAERP C[NH+](C)CCOc1cc(CNC(=O)NCC2([NH3+])CCOCC2)ccn1 ZINC000627006821 493079483 /nfs/dbraw/zinc/07/94/83/493079483.db2.gz MAIYLFIMWWCHJI-UHFFFAOYSA-N 2 0 351.451 0.329 10 0 FCAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627041330 493083923 /nfs/dbraw/zinc/08/39/23/493083923.db2.gz KTHISMCPCMLSTK-MRXNPFEDSA-N 2 0 368.526 0.459 10 0 FCAERP COC[C@]1(CNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CCC[NH2+]1 ZINC000627092063 493087459 /nfs/dbraw/zinc/08/74/59/493087459.db2.gz KEVMHZPUMNNFPT-GOSISDBHSA-N 2 0 354.495 0.651 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000627159617 493098328 /nfs/dbraw/zinc/09/83/28/493098328.db2.gz SOGUVUQWKMZMNQ-CAOSSQGBSA-N 2 0 351.495 0.417 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627163803 493098872 /nfs/dbraw/zinc/09/88/72/493098872.db2.gz XOJQZWTTYBTATI-MRXNPFEDSA-N 3 0 355.527 0.552 10 0 FCAERP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000633003584 493101770 /nfs/dbraw/zinc/10/17/70/493101770.db2.gz RYCXMPYPVGRPKW-WFASDCNBSA-N 2 0 366.441 0.247 10 0 FCAERP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000653370550 493105383 /nfs/dbraw/zinc/10/53/83/493105383.db2.gz QTAMDITTYLFTHH-UHFFFAOYSA-N 2 0 354.495 0.159 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658904042 493107764 /nfs/dbraw/zinc/10/77/64/493107764.db2.gz QLKKULCKXIIIOU-HOTGVXAUSA-N 2 0 366.506 0.033 10 0 FCAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627212753 493108000 /nfs/dbraw/zinc/10/80/00/493108000.db2.gz BLCSCUVCMPUFAS-IAGOWNOFSA-N 2 0 355.527 0.552 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCO1 ZINC000658926875 493112274 /nfs/dbraw/zinc/11/22/74/493112274.db2.gz IADHHJJQGLDILQ-HZPDHXFCSA-N 2 0 368.522 0.545 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CCO1 ZINC000658927055 493112386 /nfs/dbraw/zinc/11/23/86/493112386.db2.gz LOMUVGVELLZDRW-IAGOWNOFSA-N 2 0 364.490 0.028 10 0 FCAERP [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000633093843 493122625 /nfs/dbraw/zinc/12/26/25/493122625.db2.gz DTOHPDZFGLQUHY-SJORKVTESA-N 2 0 366.506 0.287 10 0 FCAERP C[C@@H](CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)CC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000646918154 493127020 /nfs/dbraw/zinc/12/70/20/493127020.db2.gz OEWLUHMIHQQTDF-ZKXLYKBJSA-N 2 0 362.518 0.728 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000633106115 493129203 /nfs/dbraw/zinc/12/92/03/493129203.db2.gz HIWZOHPKXOTPKA-CVEARBPZSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000633106116 493129208 /nfs/dbraw/zinc/12/92/08/493129208.db2.gz HIWZOHPKXOTPKA-HOTGVXAUSA-N 2 0 350.507 0.907 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N(C)CCOCC[NH2+]C)CC1 ZINC000633109138 493129925 /nfs/dbraw/zinc/12/99/25/493129925.db2.gz MTFDISNCZKSHHU-UHFFFAOYSA-N 2 0 368.522 0.548 10 0 FCAERP Cc1ccc([C@@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)[NH+](C)C)cc1 ZINC000627287121 493133923 /nfs/dbraw/zinc/13/39/23/493133923.db2.gz KUVWCFBEYQFOCJ-MRXNPFEDSA-N 2 0 362.474 0.338 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1cccs1 ZINC000627290251 493136069 /nfs/dbraw/zinc/13/60/69/493136069.db2.gz JIGHBGKVBVCDTK-DOPJRALCSA-N 2 0 364.515 0.925 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627293006 493136323 /nfs/dbraw/zinc/13/63/23/493136323.db2.gz JCCCVKYQAAECNJ-UIFIKXQLSA-N 2 0 372.513 0.734 10 0 FCAERP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627292490 493136778 /nfs/dbraw/zinc/13/67/78/493136778.db2.gz VZKAGOUEFZZNBP-IRXDYDNUSA-N 2 0 356.470 0.778 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000627301759 493142383 /nfs/dbraw/zinc/14/23/83/493142383.db2.gz OBHHYXLYRMHTAN-MAUKXSAKSA-N 2 0 356.511 0.308 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NCCCCC[NH+]2CCCCC2)CCOCC1 ZINC000627303662 493143109 /nfs/dbraw/zinc/14/31/09/493143109.db2.gz YSRZWOVIGWHUHP-UHFFFAOYSA-N 2 0 354.495 0.383 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000659110014 493157455 /nfs/dbraw/zinc/15/74/55/493157455.db2.gz TZDGYIUGFRFSOV-HUUCEWRRSA-N 2 0 352.410 0.463 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[NH2+]1 ZINC000627338841 493161338 /nfs/dbraw/zinc/16/13/38/493161338.db2.gz RWDOBZXJVSYSHJ-GDBMZVCRSA-N 2 0 362.474 0.500 10 0 FCAERP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000627338771 493161687 /nfs/dbraw/zinc/16/16/87/493161687.db2.gz PYRBMLBJNUHSIE-QGZVFWFLSA-N 2 0 371.485 0.563 10 0 FCAERP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000627342550 493163456 /nfs/dbraw/zinc/16/34/56/493163456.db2.gz JBDUQVYVRNFWBB-GDBMZVCRSA-N 2 0 364.490 0.004 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[NH2+]1 ZINC000627354091 493171853 /nfs/dbraw/zinc/17/18/53/493171853.db2.gz SIAQIPFXQYZTOS-WMLDXEAASA-N 2 0 358.486 0.459 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)Cc2ccccc2C1 ZINC000627354034 493171973 /nfs/dbraw/zinc/17/19/73/493171973.db2.gz QIFCWHMOMSSACP-KRWDZBQOSA-N 2 0 370.497 0.603 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627357489 493175032 /nfs/dbraw/zinc/17/50/32/493175032.db2.gz HSPDPWCPLMJBPX-XHSDSOJGSA-N 2 0 350.507 0.871 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[C@H]1F ZINC000659444715 493180289 /nfs/dbraw/zinc/18/02/89/493180289.db2.gz IJANUYMWJOBVHA-IAGOWNOFSA-N 3 0 364.469 0.674 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627366375 493180985 /nfs/dbraw/zinc/18/09/85/493180985.db2.gz QHCCINLCPXEUBQ-KBAYOESNSA-N 2 0 358.486 0.881 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000659450642 493181898 /nfs/dbraw/zinc/18/18/98/493181898.db2.gz CTIQWBWYFYHINN-UHFFFAOYSA-N 2 0 373.505 0.512 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627367588 493182844 /nfs/dbraw/zinc/18/28/44/493182844.db2.gz YNTXKNDGVWBJGQ-HNNXBMFYSA-N 2 0 352.479 0.004 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627367444 493183044 /nfs/dbraw/zinc/18/30/44/493183044.db2.gz UNTCXOOECPEQSH-BZZMCLGOSA-N 2 0 358.486 0.880 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000627381739 493190601 /nfs/dbraw/zinc/19/06/01/493190601.db2.gz ZRUCRSBFNJXTTO-DLBZAZTESA-N 2 0 359.474 0.671 10 0 FCAERP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000627388518 493195611 /nfs/dbraw/zinc/19/56/11/493195611.db2.gz XUKZYCCBPMBVQA-DOTOQJQBSA-N 2 0 374.485 0.390 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000627388291 493195695 /nfs/dbraw/zinc/19/56/95/493195695.db2.gz QXDKMPPGJCKFKM-DOTOQJQBSA-N 2 0 362.474 0.118 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000627388293 493196503 /nfs/dbraw/zinc/19/65/03/493196503.db2.gz QXDKMPPGJCKFKM-RDJZCZTQSA-N 2 0 362.474 0.118 10 0 FCAERP CN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659364735 493198459 /nfs/dbraw/zinc/19/84/59/493198459.db2.gz XUWIIIHRFJHHMK-QGZVFWFLSA-N 2 0 357.458 0.425 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627395245 493201667 /nfs/dbraw/zinc/20/16/67/493201667.db2.gz DWALKFYDWDSWIY-UPJWGTAASA-N 2 0 366.428 0.819 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000627426400 493213563 /nfs/dbraw/zinc/21/35/63/493213563.db2.gz UIICVXBRFQQGPV-ZWKOTPCHSA-N 2 0 373.501 0.667 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1 ZINC000659625989 493221870 /nfs/dbraw/zinc/22/18/70/493221870.db2.gz BDDXCKFJBWYEOX-GASCZTMLSA-N 2 0 353.511 0.711 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000659674674 493245562 /nfs/dbraw/zinc/24/55/62/493245562.db2.gz NVMREFZHLDHHQI-RYZJOYRSSA-N 2 0 356.470 0.889 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000659683258 493250150 /nfs/dbraw/zinc/25/01/50/493250150.db2.gz WVYYJFKGXGWICK-HITAIPBASA-N 2 0 366.506 0.108 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[C@H](C)C1 ZINC000659683378 493250762 /nfs/dbraw/zinc/25/07/62/493250762.db2.gz XJWQQCOQVWZIJH-HITAIPBASA-N 2 0 366.506 0.189 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1ccc(Cl)cc1 ZINC000659684521 493251582 /nfs/dbraw/zinc/25/15/82/493251582.db2.gz GHCRKNHDAKKQFH-HBSPSFQMSA-N 2 0 364.877 0.927 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000659687059 493253657 /nfs/dbraw/zinc/25/36/57/493253657.db2.gz PRDXTSRXQZXXIT-OHTSDLOESA-N 2 0 356.470 0.717 10 0 FCAERP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659689119 493254535 /nfs/dbraw/zinc/25/45/35/493254535.db2.gz SQXHALVWAVZWQD-MPQSDHOMSA-N 2 0 370.497 0.535 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[C@H]1F ZINC000659694101 493256754 /nfs/dbraw/zinc/25/67/54/493256754.db2.gz FDLXGCLLYREVCH-HZPDHXFCSA-N 2 0 363.437 0.060 10 0 FCAERP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)Cc1ccccc1 ZINC000659695415 493257807 /nfs/dbraw/zinc/25/78/07/493257807.db2.gz WOCXEKIZXKXCBU-WBTXTPOCSA-N 2 0 372.513 0.924 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C[N@@H+]1C1CC1 ZINC000659694228 493257818 /nfs/dbraw/zinc/25/78/18/493257818.db2.gz SALPAKLWYARKRI-PVAVHDDUSA-N 2 0 362.518 0.966 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659695449 493257885 /nfs/dbraw/zinc/25/78/85/493257885.db2.gz XRQHVNOLTAPKCF-KYJSFNMBSA-N 2 0 362.518 0.824 10 0 FCAERP C[C@@H](NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)C1=CC[N@H+](C)CC1 ZINC000659701406 493261638 /nfs/dbraw/zinc/26/16/38/493261638.db2.gz DLHICCIXRMLXOU-QAPCUYQASA-N 2 0 362.518 0.991 10 0 FCAERP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000659706405 493264232 /nfs/dbraw/zinc/26/42/32/493264232.db2.gz KSPYXVMCNBQGJT-IRXDYDNUSA-N 2 0 366.506 0.062 10 0 FCAERP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000659706022 493264248 /nfs/dbraw/zinc/26/42/48/493264248.db2.gz CSDQFSUORKWJHH-QMCVQRASSA-N 2 0 362.449 0.663 10 0 FCAERP O=C(NCCC[NH2+]C1CC1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659709633 493266838 /nfs/dbraw/zinc/26/68/38/493266838.db2.gz GOZFNBMHEWPBKZ-UHFFFAOYSA-N 2 0 366.506 0.252 10 0 FCAERP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659715360 493268877 /nfs/dbraw/zinc/26/88/77/493268877.db2.gz PAKQEBDHQGVDHG-RDJZCZTQSA-N 2 0 358.486 0.868 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1(CC(N)=O)CCCCC1 ZINC000667279548 493271053 /nfs/dbraw/zinc/27/10/53/493271053.db2.gz DGQGHQQPILZQFH-UHFFFAOYSA-N 2 0 355.527 0.947 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CCO1 ZINC000659720957 493271938 /nfs/dbraw/zinc/27/19/38/493271938.db2.gz VZDPMDRIRNLKLU-HNNXBMFYSA-N 2 0 354.495 0.062 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000659724604 493273278 /nfs/dbraw/zinc/27/32/78/493273278.db2.gz RZYYRGNEDUNIEZ-YJBOKZPZSA-N 2 0 354.495 0.062 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000659725978 493273406 /nfs/dbraw/zinc/27/34/06/493273406.db2.gz FXMHWTSBSWVXDX-OIISXLGYSA-N 2 0 350.507 0.681 10 0 FCAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000659740570 493280901 /nfs/dbraw/zinc/28/09/01/493280901.db2.gz IAJQXZZGLRUSCW-QFBILLFUSA-N 2 0 350.507 0.825 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000659742395 493282239 /nfs/dbraw/zinc/28/22/39/493282239.db2.gz SOMZWVQRYXMUEP-ARFHVFGLSA-N 2 0 354.495 0.045 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000673046358 493284128 /nfs/dbraw/zinc/28/41/28/493284128.db2.gz YVKXRDLFNLZUOL-KRWDZBQOSA-N 2 0 353.507 0.937 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COCc1nccn1C ZINC000667812480 493303095 /nfs/dbraw/zinc/30/30/95/493303095.db2.gz NWDWDNJIRRZLDX-MRXNPFEDSA-N 2 0 351.495 0.811 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCN=C2C1=NNN2C ZINC000667812640 493303222 /nfs/dbraw/zinc/30/32/22/493303222.db2.gz SHYWLPXUIMORTR-CABCVRRESA-N 2 0 363.510 0.085 10 0 FCAERP C[C@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000668012432 493313882 /nfs/dbraw/zinc/31/38/82/493313882.db2.gz BFKOZVBOMTZWII-ADHGMGHFSA-N 2 0 364.534 0.974 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660652942 493369938 /nfs/dbraw/zinc/36/99/38/493369938.db2.gz MVWVGVFJOWWUTG-UYAOXDASSA-N 2 0 366.550 0.877 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000668549299 493374933 /nfs/dbraw/zinc/37/49/33/493374933.db2.gz WWHNONRPRUYMBK-NVXWUHKLSA-N 2 0 366.506 0.156 10 0 FCAERP CC1[C@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H]1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000668742017 493404246 /nfs/dbraw/zinc/40/42/46/493404246.db2.gz DZLXKXGQCNLFCK-XSLAGTTESA-N 2 0 364.534 0.689 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](C)[C@@H]2CCO)C1 ZINC000661490145 493442812 /nfs/dbraw/zinc/44/28/12/493442812.db2.gz QLGAJUDKJVQDFX-KSZLIROESA-N 2 0 355.523 0.942 10 0 FCAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000685122580 493449453 /nfs/dbraw/zinc/44/94/53/493449453.db2.gz FMJXUALWMMEKBO-CRAIPNDOSA-N 2 0 373.501 0.934 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000675090531 493466814 /nfs/dbraw/zinc/46/68/14/493466814.db2.gz ZEMGMZHEHIRWIQ-MRXNPFEDSA-N 2 0 354.495 0.202 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1CC[N@H+](C)C1 ZINC000669274860 493488368 /nfs/dbraw/zinc/48/83/68/493488368.db2.gz UTYRIFAHZRVIRN-GVDBMIGSSA-N 2 0 366.506 0.033 10 0 FCAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000662445595 493516194 /nfs/dbraw/zinc/51/61/94/493516194.db2.gz TWQCCAFAGAEJFZ-SFHVURJKSA-N 2 0 356.470 0.988 10 0 FCAERP CC(C)OC[C@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000662473726 493519077 /nfs/dbraw/zinc/51/90/77/493519077.db2.gz NZWOWURUNQRFTK-KRWDZBQOSA-N 2 0 368.522 0.579 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000676098913 493525003 /nfs/dbraw/zinc/52/50/03/493525003.db2.gz HGEHAEULGGVVIS-HOCLYGCPSA-N 2 0 364.494 0.714 10 0 FCAERP O=C(C[C@@H]1C[NH2+]CCO1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662695988 493532579 /nfs/dbraw/zinc/53/25/79/493532579.db2.gz RXSRSVFFZPWPQH-GOSISDBHSA-N 2 0 358.486 0.836 10 0 FCAERP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1=O ZINC000662885736 493549424 /nfs/dbraw/zinc/54/94/24/493549424.db2.gz VWNGKBVPTSMVIC-NVXWUHKLSA-N 2 0 360.458 0.696 10 0 FCAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662934458 493556282 /nfs/dbraw/zinc/55/62/82/493556282.db2.gz VPQZLPIFLSQIMM-MPQSDHOMSA-N 2 0 370.497 0.917 10 0 FCAERP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662934998 493556336 /nfs/dbraw/zinc/55/63/36/493556336.db2.gz RUIWQWZVXQTSNN-UHFFFAOYSA-N 2 0 350.488 0.588 10 0 FCAERP CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[C@@H]1[NH3+] ZINC000662950491 493559867 /nfs/dbraw/zinc/55/98/67/493559867.db2.gz MDMFPCODMIVFPR-OAGGEKHMSA-N 2 0 354.495 0.141 10 0 FCAERP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662953284 493560107 /nfs/dbraw/zinc/56/01/07/493560107.db2.gz LYIYHEOXJATTHY-JKSUJKDBSA-N 2 0 354.495 0.014 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CCO1 ZINC000662971956 493562365 /nfs/dbraw/zinc/56/23/65/493562365.db2.gz GXSCPXDSSGWNKA-LSDHHAIUSA-N 2 0 350.467 0.213 10 0 FCAERP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663016209 493566556 /nfs/dbraw/zinc/56/65/56/493566556.db2.gz BOYYLMZPUFAHDN-HLLBOEOZSA-N 2 0 360.506 0.913 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000670981605 493618773 /nfs/dbraw/zinc/61/87/73/493618773.db2.gz UEQFGJYILRGIAT-HZPDHXFCSA-N 2 0 350.438 0.755 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H](C)C1 ZINC000671103226 493634116 /nfs/dbraw/zinc/63/41/16/493634116.db2.gz DMIYPWGUWBJXJX-VQHPVUNQSA-N 2 0 350.507 0.918 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@@H](C)C1 ZINC000671103229 493634487 /nfs/dbraw/zinc/63/44/87/493634487.db2.gz DMIYPWGUWBJXJX-YVSFHVDLSA-N 2 0 350.507 0.918 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000664347393 493654601 /nfs/dbraw/zinc/65/46/01/493654601.db2.gz CVPXFYOYGLDNPN-UHFFFAOYSA-N 2 0 367.538 0.816 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671376558 493662196 /nfs/dbraw/zinc/66/21/96/493662196.db2.gz GPGROAXODHKCFI-KRWDZBQOSA-N 2 0 350.507 0.825 10 0 FCAERP C[C@H]1C[N@H+](CCCNC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CCCO1 ZINC000664759359 493681787 /nfs/dbraw/zinc/68/17/87/493681787.db2.gz UHANIRIPLNSAIN-FUHWJXTLSA-N 2 0 368.522 0.728 10 0 FCAERP CO[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]1CCOC1 ZINC000665477851 493717396 /nfs/dbraw/zinc/71/73/96/493717396.db2.gz QSSPPALHVNFMFM-RYQLBKOJSA-N 2 0 368.522 0.848 10 0 FCAERP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@H+](C)C2)(N2CCOCC2)CC1 ZINC000665702149 493730057 /nfs/dbraw/zinc/73/00/57/493730057.db2.gz DNCDZKFTEABDOP-INIZCTEOSA-N 2 0 353.511 0.176 10 0 FCAERP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000672310740 493754797 /nfs/dbraw/zinc/75/47/97/493754797.db2.gz GKSQASCAFXIKLL-SFHVURJKSA-N 2 0 362.518 0.921 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000419147766 535081382 /nfs/dbraw/zinc/08/13/82/535081382.db2.gz IGNHNVROMNDHOE-IAGOWNOFSA-N 2 0 352.523 0.977 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000418861105 535445705 /nfs/dbraw/zinc/44/57/05/535445705.db2.gz DKAHIUJPUWMWPW-DZGCQCFKSA-N 2 0 354.495 0.454 10 0 FCAERP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)[C@@H]2C1 ZINC000425390121 536487348 /nfs/dbraw/zinc/48/73/48/536487348.db2.gz QMUHHBABWWFFHX-ZWKOTPCHSA-N 2 0 362.518 0.873 10 0 FCAERP CC1CC[NH+](CCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000125397372 546540530 /nfs/dbraw/zinc/54/05/30/546540530.db2.gz INGYQNUOECGISQ-UHFFFAOYSA-N 2 0 350.467 0.231 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC000550833126 547109909 /nfs/dbraw/zinc/10/99/09/547109909.db2.gz SPHQXKMWCBNHOL-VKJFTORMSA-N 2 0 370.563 0.729 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000551498564 547149795 /nfs/dbraw/zinc/14/97/95/547149795.db2.gz BXTLNDFKJMXQSO-BACDZXNISA-N 2 0 350.507 0.966 10 0 FCAERP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926310550 663455874 /nfs/dbraw/zinc/45/58/74/663455874.db2.gz IKXPGQBXJFDERR-SFHVURJKSA-N 2 0 356.511 0.125 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927641589 664888594 /nfs/dbraw/zinc/88/85/94/664888594.db2.gz KJXWLORKOWIDQR-KRWDZBQOSA-N 3 0 355.527 0.375 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1 ZINC000896682033 665102528 /nfs/dbraw/zinc/10/25/28/665102528.db2.gz PPNIRYAGJXPZAD-JKSUJKDBSA-N 2 0 357.495 0.639 10 0 FCAERP CN(C(=O)C1C[NH+]([C@H]2CCOC2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000896990077 665139631 /nfs/dbraw/zinc/13/96/31/665139631.db2.gz ZLJPTVQRELOUTG-MSOLQXFVSA-N 2 0 350.507 0.334 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc(C[NH2+]C(C)C)nn2)C1 ZINC000905789595 666037351 /nfs/dbraw/zinc/03/73/51/666037351.db2.gz VMCHFWNQOHXZTJ-INIZCTEOSA-N 2 0 352.483 0.249 10 0 FCAERP O=C(NC[C@H]1CCCC[N@H+]1CCO)C1CCC([NH+]2CCOCC2)CC1 ZINC000908539950 666211450 /nfs/dbraw/zinc/21/14/50/666211450.db2.gz CCZRUKSXJTWGRX-DAWZGUTISA-N 2 0 353.507 0.840 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1coc2c1C(=O)NCCC2 ZINC000912303507 666431287 /nfs/dbraw/zinc/43/12/87/666431287.db2.gz JWYORVNQHJAKPC-ZDUSSCGKSA-N 2 0 350.463 0.957 10 0 FCAERP Cc1onc(C(=O)N2CC[C@H](CO)[C@H]([NH+](C)C)C2)c1C[NH+]1CCCC1 ZINC000169786462 666585659 /nfs/dbraw/zinc/58/56/59/666585659.db2.gz NAGRZMXHAVYDET-GDBMZVCRSA-N 2 0 350.463 0.963 10 0 FCAERP C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000914017348 666683445 /nfs/dbraw/zinc/68/34/45/666683445.db2.gz XKGWYCGZTMSTAT-IRXDYDNUSA-N 2 0 369.579 0.891 10 0 FCAERP C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)C[C@@]34CC[NH+](C3)CCC4)CC2)C1 ZINC000914117577 666698372 /nfs/dbraw/zinc/69/83/72/666698372.db2.gz WERSPQMQBFVNQS-MSOLQXFVSA-N 2 0 370.563 0.514 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=S)NCC[NH+](C)C)cn2)CC1 ZINC000916015028 666986812 /nfs/dbraw/zinc/98/68/12/666986812.db2.gz XXKZZMYCYYVQQQ-UHFFFAOYSA-N 2 0 350.536 0.749 10 0 FCAERP COCC[N@H+](C)CCNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000916329948 666999116 /nfs/dbraw/zinc/99/91/16/666999116.db2.gz CBLOPUPYALURBB-INIZCTEOSA-N 2 0 356.511 0.849 10 0 FCAERP COCC[N@H+](C)CCNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000916329949 666999605 /nfs/dbraw/zinc/99/96/05/666999605.db2.gz CBLOPUPYALURBB-MRXNPFEDSA-N 2 0 356.511 0.849 10 0 FCAERP Cn1ncc(I)c1CNCCOCC[NH+](C)C ZINC000922010051 667565685 /nfs/dbraw/zinc/56/56/85/667565685.db2.gz VDKZRRKPLZFLBX-UHFFFAOYSA-N 2 0 352.220 0.693 10 0 FCAERP C[C@@H]1[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@@H+]1C ZINC000922446062 667653362 /nfs/dbraw/zinc/65/33/62/667653362.db2.gz CUHQNMKQHLCUST-MOTUXRJWSA-N 2 0 351.495 0.462 10 0 FCAERP C[C@H]1C[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC[C@@H]1C[NH3+] ZINC000923501874 667842235 /nfs/dbraw/zinc/84/22/35/667842235.db2.gz WIFNPUAPWVVDDS-DOTOQJQBSA-N 2 0 350.507 0.764 10 0 FCAERP C[C@H]1C[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC[C@H]1C[NH3+] ZINC000923501876 667842341 /nfs/dbraw/zinc/84/23/41/667842341.db2.gz WIFNPUAPWVVDDS-RDJZCZTQSA-N 2 0 350.507 0.764 10 0 FCAERP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000781913345 668539143 /nfs/dbraw/zinc/53/91/43/668539143.db2.gz POYNUMBVIHJICA-RHSMWYFYSA-N 2 0 370.519 0.317 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793704179 668943414 /nfs/dbraw/zinc/94/34/14/668943414.db2.gz XUKTYTSYVUWMJL-HOTGVXAUSA-N 2 0 354.495 0.204 10 0 FCAERP COC(=O)c1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)ccc1OC ZINC000818949770 668964712 /nfs/dbraw/zinc/96/47/12/668964712.db2.gz MVTZDIZKNNYXKX-HNNXBMFYSA-N 2 0 351.447 0.180 10 0 FCAERP CN(C[C@@H](O)C[NH2+]CCN1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000819135000 668982858 /nfs/dbraw/zinc/98/28/58/668982858.db2.gz RFBPJQLPQJGAEW-INIZCTEOSA-N 2 0 358.527 0.830 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000819222854 668989841 /nfs/dbraw/zinc/98/98/41/668989841.db2.gz AWIAAVHXJDXAMR-HNNXBMFYSA-N 2 0 356.511 0.632 10 0 FCAERP CN(C[C@H](O)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000819288305 668994890 /nfs/dbraw/zinc/99/48/90/668994890.db2.gz XJKPWKQXLPCJHE-OAHLLOKOSA-N 2 0 358.527 0.830 10 0 FCAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867406354 671089495 /nfs/dbraw/zinc/08/94/95/671089495.db2.gz KMWAOKYWQGQGAV-DJIMGWMZSA-N 2 0 350.507 0.728 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)CC[C@H]21 ZINC000867417743 671103971 /nfs/dbraw/zinc/10/39/71/671103971.db2.gz HPLPNYHAGXLUAZ-JKSUJKDBSA-N 2 0 350.507 0.872 10 0 FCAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc(Cl)n1 ZINC000852914269 671531721 /nfs/dbraw/zinc/53/17/21/671531721.db2.gz RIYROAUACAWPNF-GJZGRUSLSA-N 2 0 351.882 0.939 10 0 FCAERP C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cccc(OCC[NH+](C)C)c1 ZINC000903282089 675924235 /nfs/dbraw/zinc/92/42/35/675924235.db2.gz SLPZYWBLEMZZSI-VQIMIIECSA-N 2 0 351.491 0.971 10 0 FCAERP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000903431093 675929720 /nfs/dbraw/zinc/92/97/20/675929720.db2.gz MILHGDWABILIHZ-QXSJWSMHSA-N 2 0 360.524 0.085 10 0 FCAERP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000903431091 675929803 /nfs/dbraw/zinc/92/98/03/675929803.db2.gz MILHGDWABILIHZ-FPCVCCKLSA-N 2 0 360.524 0.085 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N(CC(F)(F)F)C(C)C)C2 ZINC000903492157 675933418 /nfs/dbraw/zinc/93/34/18/675933418.db2.gz KQGIJXJHZWQNTJ-ZOWXZIJZSA-N 2 0 365.396 0.998 10 0 FCAERP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903719571 675963534 /nfs/dbraw/zinc/96/35/34/675963534.db2.gz OPDZFAGRMOINJR-RYUDHWBXSA-N 2 0 350.385 0.279 10 0 FCAERP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903735272 675965210 /nfs/dbraw/zinc/96/52/10/675965210.db2.gz JIKLCRCDXGFBCX-UTUOFQBUSA-N 2 0 350.385 0.277 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@@H]1C ZINC000903747120 675967014 /nfs/dbraw/zinc/96/70/14/675967014.db2.gz JOVCAZFLQFDFIG-UMSGYPCISA-N 2 0 364.412 0.666 10 0 FCAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903753438 675967803 /nfs/dbraw/zinc/96/78/03/675967803.db2.gz PIJFLIIORXMSBH-LOWDOPEQSA-N 2 0 362.396 0.277 10 0 FCAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000903754300 675968041 /nfs/dbraw/zinc/96/80/41/675968041.db2.gz DPJALKAAORCJHR-LSDHHAIUSA-N 2 0 354.495 0.141 10 0 FCAERP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903771932 675971463 /nfs/dbraw/zinc/97/14/63/675971463.db2.gz PUOKJJXECPROEN-QWHCGFSZSA-N 2 0 364.412 0.669 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@@H]([NH3+])C3)CC[C@H]21 ZINC000903775499 675972124 /nfs/dbraw/zinc/97/21/24/675972124.db2.gz FNCADUFCDSBCQV-MROQNXINSA-N 2 0 362.396 0.277 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@H]([NH3+])C3)CC[C@H]21 ZINC000903775508 675972165 /nfs/dbraw/zinc/97/21/65/675972165.db2.gz FNCADUFCDSBCQV-YVECIDJPSA-N 2 0 362.396 0.277 10 0 FCAERP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867540932 672334379 /nfs/dbraw/zinc/33/43/79/672334379.db2.gz XRNMJWIGUISAEO-DLBZAZTESA-N 2 0 350.507 0.873 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)C[C@H]1C[NH+](C)C ZINC000867588912 672343144 /nfs/dbraw/zinc/34/31/44/672343144.db2.gz ISNGUQKOBXWBPK-ZIAGYGMSSA-N 2 0 365.503 0.923 10 0 FCAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000867606793 672347421 /nfs/dbraw/zinc/34/74/21/672347421.db2.gz FDXRGUXFJUMFTG-MRXNPFEDSA-N 2 0 350.507 0.873 10 0 FCAERP CS[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867676101 672354387 /nfs/dbraw/zinc/35/43/87/672354387.db2.gz MTHJAZCISAKZMF-RBSFLKMASA-N 2 0 356.536 0.148 10 0 FCAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000868369401 672396093 /nfs/dbraw/zinc/39/60/93/672396093.db2.gz YVGDEKJCAKATBJ-DNVCBOLYSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000868391114 672398132 /nfs/dbraw/zinc/39/81/32/672398132.db2.gz SROJDNKQCKJUJS-HZPDHXFCSA-N 2 0 350.507 0.907 10 0 FCAERP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000868389656 672398162 /nfs/dbraw/zinc/39/81/62/672398162.db2.gz BCQALGIBVSSUEC-MRXNPFEDSA-N 2 0 350.507 0.921 10 0 FCAERP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000868391864 672398171 /nfs/dbraw/zinc/39/81/71/672398171.db2.gz YNWOTYYHSNBQHR-INIZCTEOSA-N 2 0 350.507 0.779 10 0 FCAERP COC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018370 672461764 /nfs/dbraw/zinc/46/17/64/672461764.db2.gz ZCNSTXBOCIJNSO-OAGGEKHMSA-N 2 0 356.511 0.955 10 0 FCAERP CC(C)C(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023383 672462164 /nfs/dbraw/zinc/46/21/64/672462164.db2.gz WIFYAISKSXMOFW-BRWVUGGUSA-N 2 0 352.523 0.831 10 0 FCAERP C[C@H](CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@H]1CCC[NH2+]C1 ZINC000871000104 672525326 /nfs/dbraw/zinc/52/53/26/672525326.db2.gz SENOWMLCGPANBT-CWVYHPPDSA-N 2 0 350.463 0.406 10 0 FCAERP 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COCCOc1cc2c(cc1C[N@@H+]1CC[C@@H](N3CC[NH2+]CC3)C1)OCO2 ZINC000262096526 1188356117 /nfs/dbraw/zinc/35/61/17/1188356117.db2.gz HYSWPZQVCXEJCI-MRXNPFEDSA-N 2 0 363.458 0.920 10 0 FCAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000896024720 1189912344 /nfs/dbraw/zinc/91/23/44/1189912344.db2.gz UWEPLKFKTOONPT-LMMKCTJWSA-N 2 0 364.534 0.724 10 0 FCAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000896024727 1189912554 /nfs/dbraw/zinc/91/25/54/1189912554.db2.gz UWEPLKFKTOONPT-ZHALLVOQSA-N 2 0 364.534 0.724 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1nccn1C ZINC001719897448 1190221440 /nfs/dbraw/zinc/22/14/40/1190221440.db2.gz GYUGVEHOGXKKEX-OAGGEKHMSA-N 2 0 361.490 0.943 10 0 FCAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001719932481 1191219650 /nfs/dbraw/zinc/21/96/50/1191219650.db2.gz GCJXEPPBNFCUMC-XDNAFOTISA-N 2 0 362.518 0.918 10 0 FCAERP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000552500795 1193934886 /nfs/dbraw/zinc/93/48/86/1193934886.db2.gz IQBKEVWZHVGQIR-IAGOWNOFSA-N 2 0 367.538 0.071 10 0 FCAERP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)C1=O ZINC000905028635 1195573232 /nfs/dbraw/zinc/57/32/32/1195573232.db2.gz PWCJJDLXSFQMFP-RDTXWAMCSA-N 2 0 366.462 0.276 10 0 FCAERP C[C@]1(CNC(=O)C23CC[NH+](CC2)C3)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907981084 1195720042 /nfs/dbraw/zinc/72/00/42/1195720042.db2.gz XBSNFPACSHGTFM-GOSISDBHSA-N 2 0 360.502 0.533 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccnc2n[nH]nc21 ZINC001626003108 1196509916 /nfs/dbraw/zinc/50/99/16/1196509916.db2.gz ZCORXUQSFUACFF-UHFFFAOYSA-N 2 0 366.429 0.690 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000793815918 1201269538 /nfs/dbraw/zinc/26/95/38/1201269538.db2.gz VNVDLPJQEJTDRH-IRXDYDNUSA-N 2 0 366.506 0.204 10 0 FCAERP C[NH+]1CCN(CCNC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001136076586 1203129262 /nfs/dbraw/zinc/12/92/62/1203129262.db2.gz QAXCAMUYSOZJSK-HXUWFJFHSA-N 2 0 360.502 0.377 10 0 FCAERP CN(C[C@H](O)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000819053613 1203149059 /nfs/dbraw/zinc/14/90/59/1203149059.db2.gz KAVJCYHCTRYRRI-DOTOQJQBSA-N 2 0 370.538 0.972 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000819243888 1203152172 /nfs/dbraw/zinc/15/21/72/1203152172.db2.gz GWPNHMVDPBBSLX-QGZVFWFLSA-N 2 0 368.522 0.752 10 0 FCAERP Cc1cc(C)c(N2CC[C@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2=O)c(C)c1 ZINC000819257569 1203152619 /nfs/dbraw/zinc/15/26/19/1203152619.db2.gz DSDGRGWQKPYQIC-MOPGFXCFSA-N 2 0 374.529 0.915 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000819246609 1203152717 /nfs/dbraw/zinc/15/27/17/1203152717.db2.gz NWFUGEZSAWIDHK-DLBZAZTESA-N 2 0 370.538 0.974 10 0 FCAERP COc1ccc(C2=NO[C@H](C[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)cc1 ZINC000819292824 1203153625 /nfs/dbraw/zinc/15/36/25/1203153625.db2.gz LDMNJNMHNIXYHT-WMZOPIPTSA-N 2 0 362.474 0.386 10 0 FCAERP CN1CCN(C(=O)[C@]2(O)CCC[NH+](Cc3ccccc3)C2)CC[N@H+](C)CC1 ZINC001178974001 1206368991 /nfs/dbraw/zinc/36/89/91/1206368991.db2.gz DMEVNIZYHJOCGC-NRFANRHFSA-N 2 0 374.529 0.719 10 0 FCAERP Cc1ccc(CN(C)C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)o1 ZINC000867290935 1208297729 /nfs/dbraw/zinc/29/77/29/1208297729.db2.gz WUNPNFUFVWXYAG-HZPDHXFCSA-N 2 0 364.490 0.744 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CC[C@@H]21 ZINC000867304571 1208327047 /nfs/dbraw/zinc/32/70/47/1208327047.db2.gz FVDROBDKGXIXFE-WBVHZDCISA-N 2 0 357.458 0.283 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001488366016 1208500432 /nfs/dbraw/zinc/50/04/32/1208500432.db2.gz KBJQYGVJBLNDJC-HRCADAONSA-N 2 0 368.522 0.137 10 0 FCAERP COC[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001488891387 1208558276 /nfs/dbraw/zinc/55/82/76/1208558276.db2.gz OJJZCAAMWGPSLF-CEXWTWQISA-N 2 0 361.486 0.674 10 0 FCAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)CCC1 ZINC001488916126 1208568028 /nfs/dbraw/zinc/56/80/28/1208568028.db2.gz OQTVQHJKXDCFEC-BBWFWOEESA-N 2 0 363.506 0.603 10 0 FCAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001488960380 1208574768 /nfs/dbraw/zinc/57/47/68/1208574768.db2.gz IMISKWMIQFWIQK-GVDBMIGSSA-N 2 0 350.507 0.825 10 0 FCAERP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001488946960 1208580825 /nfs/dbraw/zinc/58/08/25/1208580825.db2.gz GRSZWQWBMGVLOA-DZGCQCFKSA-N 2 0 367.494 0.048 10 0 FCAERP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1OCC ZINC001489021303 1208609977 /nfs/dbraw/zinc/60/99/77/1208609977.db2.gz YMPHVWPWSUNKBC-LMMKCTJWSA-N 2 0 353.507 0.962 10 0 FCAERP C[C@@H]1CCN(C(=O)[C@@H]2CCn3ccnc3C2)[C@H](C[NH2+]CCOCCO)C1 ZINC001489038127 1208615846 /nfs/dbraw/zinc/61/58/46/1208615846.db2.gz IYYFIBUAVJLSKF-ZACQAIPSSA-N 2 0 364.490 0.671 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001489133842 1208636652 /nfs/dbraw/zinc/63/66/52/1208636652.db2.gz YHPWUZMHQAIPSR-DLBZAZTESA-N 2 0 350.507 0.824 10 0 FCAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC)CC[C@@H]2C1 ZINC001489192365 1208654867 /nfs/dbraw/zinc/65/48/67/1208654867.db2.gz YKSKSYPSJGKWAV-IKGGRYGDSA-N 2 0 350.507 0.777 10 0 FCAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)[C@@H]1C)[NH+](C)C ZINC001489304889 1208738095 /nfs/dbraw/zinc/73/80/95/1208738095.db2.gz DGCIIWOCAPGNBP-IJEWVQPXSA-N 2 0 367.494 0.094 10 0 FCAERP CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001489276658 1208754122 /nfs/dbraw/zinc/75/41/22/1208754122.db2.gz UXXDMHFAGMUXQR-WBVHZDCISA-N 2 0 366.506 0.347 10 0 FCAERP O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1O ZINC001489581831 1208993860 /nfs/dbraw/zinc/99/38/60/1208993860.db2.gz LLHRBEQLBRUAKD-SJORKVTESA-N 2 0 366.506 0.036 10 0 FCAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001489654817 1209041539 /nfs/dbraw/zinc/04/15/39/1209041539.db2.gz MNDFZWPVFZLCPX-BZUAXINKSA-N 2 0 356.486 0.677 10 0 FCAERP C[N@H+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001489878281 1209137746 /nfs/dbraw/zinc/13/77/46/1209137746.db2.gz HENOJBAHTUDNDY-HRCADAONSA-N 2 0 350.507 0.824 10 0 FCAERP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@@H]2C1)[NH+](C)C ZINC001490041476 1209222831 /nfs/dbraw/zinc/22/28/31/1209222831.db2.gz VXJMXXSTNLKKCT-IXDOHACOSA-N 2 0 352.523 0.975 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)CCC[NH+](C)C)C[C@H]3C2)C1 ZINC001490050554 1209228282 /nfs/dbraw/zinc/22/82/82/1209228282.db2.gz BFNGZKKCQAEYHQ-KURKYZTESA-N 2 0 364.534 0.977 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCN1C(=O)CC[NH+](C)C ZINC001490096395 1209254113 /nfs/dbraw/zinc/25/41/13/1209254113.db2.gz AVJBKSJNQSBVFF-ZBFHGGJFSA-N 2 0 364.494 0.116 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001490124384 1209266825 /nfs/dbraw/zinc/26/68/25/1209266825.db2.gz XRGYVTGPIBAHSK-PVAVHDDUSA-N 2 0 350.507 0.776 10 0 FCAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001490227773 1209279450 /nfs/dbraw/zinc/27/94/50/1209279450.db2.gz XARTZNFLSCBMBH-XLIONFOSSA-N 2 0 364.534 0.977 10 0 FCAERP C[NH+](C)CCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC001490237842 1209283561 /nfs/dbraw/zinc/28/35/61/1209283561.db2.gz MQLKGZJWBBAASP-TXPKVOOTSA-N 2 0 350.507 0.729 10 0 FCAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001490708002 1209410133 /nfs/dbraw/zinc/41/01/33/1209410133.db2.gz WDDTYPWBFVOPSP-MUQADHOPSA-N 2 0 350.507 0.917 10 0 FCAERP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850808556 1209490527 /nfs/dbraw/zinc/49/05/27/1209490527.db2.gz WQUHXEHCKZYLBQ-YOEHRIQHSA-N 2 0 360.458 0.887 10 0 FCAERP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)C1 ZINC000852863855 1209568228 /nfs/dbraw/zinc/56/82/28/1209568228.db2.gz JRKMAPKLRCOVJS-DZGCQCFKSA-N 2 0 359.430 0.426 10 0 FCAERP CN(C(=O)c1ccc(NC(=O)C2=NO[C@@H](C[NH3+])C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000852870070 1209570659 /nfs/dbraw/zinc/57/06/59/1209570659.db2.gz AFSIEYWXBMJMQN-JKSUJKDBSA-N 2 0 373.457 0.895 10 0 FCAERP C[NH+]1CCN(CCOc2ccc(NC(=O)C3=NO[C@H](C[NH3+])C3)cc2)CC1 ZINC000852872751 1209571427 /nfs/dbraw/zinc/57/14/27/1209571427.db2.gz LQORGJZSGAEDOQ-INIZCTEOSA-N 2 0 361.446 0.355 10 0 FCAERP O=C(C=C1CC[NH2+]CC1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000852872595 1209571784 /nfs/dbraw/zinc/57/17/84/1209571784.db2.gz IMUWPOQZNPKFRZ-UHFFFAOYSA-N 2 0 358.490 0.805 10 0 FCAERP CN1CC[N@H+](CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000852872585 1209571965 /nfs/dbraw/zinc/57/19/65/1209571965.db2.gz IJJTYGWLLJWHOO-AEFFLSMTSA-N 2 0 359.474 0.585 10 0 FCAERP [NH3+]C[C@@H]1CC(C(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)=NO1 ZINC000852910449 1209574979 /nfs/dbraw/zinc/57/49/79/1209574979.db2.gz UYBQRWCQUITXRN-INIZCTEOSA-N 2 0 357.458 0.561 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCO1 ZINC000852921732 1209577850 /nfs/dbraw/zinc/57/78/50/1209577850.db2.gz MPRVYTMWQFRWBS-INIZCTEOSA-N 2 0 366.506 0.158 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCO1 ZINC000852921733 1209578204 /nfs/dbraw/zinc/57/82/04/1209578204.db2.gz MPRVYTMWQFRWBS-MRXNPFEDSA-N 2 0 366.506 0.158 10 0 FCAERP CCNC(=O)NC(=O)CN1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856593947 1209717012 /nfs/dbraw/zinc/71/70/12/1209717012.db2.gz BYFKALQKFNWBJN-INIZCTEOSA-N 2 0 363.462 0.832 10 0 FCAERP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(c3nc(N)[nH+]c(N)n3)C2)ccn1 ZINC000858635782 1209798126 /nfs/dbraw/zinc/79/81/26/1209798126.db2.gz ALIPSERVZDVERX-CQSZACIVSA-N 2 0 358.450 0.929 10 0 FCAERP CC1(CNC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC[NH2+]CC1 ZINC000861641326 1209873232 /nfs/dbraw/zinc/87/32/32/1209873232.db2.gz IUZOXVBBEIALSX-CABCVRRESA-N 2 0 365.478 0.343 10 0 FCAERP [NH3+][C@H](CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccccc1 ZINC000861642064 1209873286 /nfs/dbraw/zinc/87/32/86/1209873286.db2.gz ZLUFJOUJXTXGPD-ZACQAIPSSA-N 2 0 373.457 0.653 10 0 FCAERP COCCNC(=O)c1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccn1 ZINC000866010028 1209989797 /nfs/dbraw/zinc/98/97/97/1209989797.db2.gz FEWIDXGUMAAOBL-HZPDHXFCSA-N 2 0 363.506 0.633 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867444695 1210006845 /nfs/dbraw/zinc/00/68/45/1210006845.db2.gz NWNQQNMNPOMWQA-IRXDYDNUSA-N 2 0 368.522 0.356 10 0 FCAERP CCCN(CC(C)(C)O)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867443805 1210007145 /nfs/dbraw/zinc/00/71/45/1210007145.db2.gz MSCAOUKUIBGJFI-HZPDHXFCSA-N 2 0 370.538 0.194 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H](C)[C@H](C)O1 ZINC000867584279 1210015835 /nfs/dbraw/zinc/01/58/35/1210015835.db2.gz ZPMQBSQQXNCCPI-NQNKBUKLSA-N 2 0 368.522 0.209 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CCO1 ZINC000867639809 1210020068 /nfs/dbraw/zinc/02/00/68/1210020068.db2.gz DDPFPORSEMUVHK-BBWFWOEESA-N 2 0 366.506 0.108 10 0 FCAERP C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868230347 1210044972 /nfs/dbraw/zinc/04/49/72/1210044972.db2.gz ZCFKRXCRVVWLKT-ZWKOTPCHSA-N 2 0 374.485 0.745 10 0 FCAERP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868234658 1210045029 /nfs/dbraw/zinc/04/50/29/1210045029.db2.gz XGVGAQSDTKTQKF-JCGIZDLHSA-N 2 0 373.501 0.582 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000868242987 1210045971 /nfs/dbraw/zinc/04/59/71/1210045971.db2.gz DAYXUWUKJUZNLN-GJZGRUSLSA-N 2 0 372.510 0.404 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C4CC[NH2+]CC4)C3)CC[C@@H]21 ZINC000868411190 1210063395 /nfs/dbraw/zinc/06/33/95/1210063395.db2.gz UKZVBOVJLRPUDP-KURKYZTESA-N 2 0 362.518 0.777 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]C4)CC3)CC[C@H]21 ZINC000868410750 1210063443 /nfs/dbraw/zinc/06/34/43/1210063443.db2.gz ORVLQSRLCVWGPS-RCCFBDPRSA-N 2 0 362.518 0.777 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868416568 1210063728 /nfs/dbraw/zinc/06/37/28/1210063728.db2.gz AGERDABSNUMEGN-GJZGRUSLSA-N 2 0 373.457 0.092 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(n3cnnn3)CCCCC2)C[C@H]1C[NH+](C)C ZINC000870016947 1210099523 /nfs/dbraw/zinc/09/95/23/1210099523.db2.gz BYKNVQZQEPRGJG-HZPDHXFCSA-N 2 0 363.510 0.530 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cn(-c3cccnc3)nn2)C[C@H]1C[NH+](C)C ZINC000870017062 1210099570 /nfs/dbraw/zinc/09/95/70/1210099570.db2.gz GZOXGDCIZVUDBS-HUUCEWRRSA-N 2 0 357.462 0.474 10 0 FCAERP Cn1c2cccc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c2oc1=O ZINC000870022472 1210100140 /nfs/dbraw/zinc/10/01/40/1210100140.db2.gz SXKTVMQSVIOEJH-ZIAGYGMSSA-N 2 0 360.458 0.943 10 0 FCAERP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)CCO1 ZINC000872193343 1210177108 /nfs/dbraw/zinc/17/71/08/1210177108.db2.gz VIHHTBQJHXRDON-HOTGVXAUSA-N 2 0 366.506 0.428 10 0 FCAERP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000872194636 1210177821 /nfs/dbraw/zinc/17/78/21/1210177821.db2.gz HUHIYMZHYTVJCB-MRXNPFEDSA-N 2 0 366.506 0.430 10 0 FCAERP CC(C)(O)C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000872210039 1210179153 /nfs/dbraw/zinc/17/91/53/1210179153.db2.gz GVNLLMYVRUUMKV-SFHVURJKSA-N 2 0 363.502 0.995 10 0 FCAERP Cc1nn(C)c2ncc(C[N@@H+]3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cc12 ZINC000872255408 1210183599 /nfs/dbraw/zinc/18/35/99/1210183599.db2.gz WHHPHWBZZUMJSW-BMFZPTHFSA-N 2 0 356.430 0.644 10 0 FCAERP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872263774 1210184918 /nfs/dbraw/zinc/18/49/18/1210184918.db2.gz FPHVLINMUBALFZ-KURKYZTESA-N 2 0 370.453 0.485 10 0 FCAERP COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C2 ZINC000876129696 1210403292 /nfs/dbraw/zinc/40/32/92/1210403292.db2.gz SAPOUZYONDFCRJ-RMWBKXBUSA-N 2 0 366.506 0.709 10 0 FCAERP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001275312632 1211213704 /nfs/dbraw/zinc/21/37/04/1211213704.db2.gz GAFYJUVPDQSRRQ-JQHSSLGASA-N 2 0 360.502 0.904 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001276011311 1211323918 /nfs/dbraw/zinc/32/39/18/1211323918.db2.gz IGCKVGOOESIDKW-LSDHHAIUSA-N 2 0 362.478 0.584 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CC(=O)N(C)C1 ZINC000924740072 1211478845 /nfs/dbraw/zinc/47/88/45/1211478845.db2.gz ALRNUXJJFRTQQR-DLBZAZTESA-N 2 0 367.538 0.912 10 0 FCAERP O=C1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CN1CCN1CCOCC1 ZINC000925572358 1211502431 /nfs/dbraw/zinc/50/24/31/1211502431.db2.gz PPAXCTTVXUQMLJ-GBESFXJTSA-N 2 0 364.534 0.677 10 0 FCAERP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000926291915 1211527602 /nfs/dbraw/zinc/52/76/02/1211527602.db2.gz OHAOIKFTPATJAP-HXUWFJFHSA-N 2 0 374.485 0.033 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926324706 1211531283 /nfs/dbraw/zinc/53/12/83/1211531283.db2.gz WRVDNOGZVYDESK-LPHOPBHVSA-N 2 0 366.506 0.300 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[C@H]1C[NH3+] ZINC000926336773 1211534524 /nfs/dbraw/zinc/53/45/24/1211534524.db2.gz DQSCBMRSCMGQGY-RDJZCZTQSA-N 2 0 366.506 0.001 10 0 FCAERP CCO[C@H](CNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C[NH+](C)C ZINC000926839475 1211556040 /nfs/dbraw/zinc/55/60/40/1211556040.db2.gz ZRSSBZHHOHBZJV-KURKYZTESA-N 2 0 369.554 0.621 10 0 FCAERP C[N@@H+]1CC[C@H]([NH2+]CC(=O)NCC(=O)NCc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000926964739 1211560196 /nfs/dbraw/zinc/56/01/96/1211560196.db2.gz NEKWCZFEVKHPAY-SQNIBIBYSA-N 2 0 358.486 0.881 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CCO1 ZINC000927633096 1211577207 /nfs/dbraw/zinc/57/72/07/1211577207.db2.gz LPPQREQPTOUVCB-ROUUACIJSA-N 2 0 368.522 0.992 10 0 FCAERP C[N@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CC1 ZINC000927643882 1211578599 /nfs/dbraw/zinc/57/85/99/1211578599.db2.gz XGQMPCNHWVGCNF-SFHVURJKSA-N 2 0 368.522 0.728 10 0 FCAERP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000927854962 1211585791 /nfs/dbraw/zinc/58/57/91/1211585791.db2.gz OKPWGUAFRUGYQJ-MRXNPFEDSA-N 2 0 359.474 0.573 10 0 FCAERP Cn1nnc2c1C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)CC2 ZINC000927864125 1211586880 /nfs/dbraw/zinc/58/68/80/1211586880.db2.gz PBCDTZPLOVMGQK-RBSFLKMASA-N 2 0 363.510 0.053 10 0 FCAERP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)N1CCNCC[NH2+]CC1 ZINC000927880375 1211589451 /nfs/dbraw/zinc/58/94/51/1211589451.db2.gz SKQMPJABMSBNGG-UHFFFAOYSA-N 2 0 373.501 0.285 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[C@@H]1C[NH3+] ZINC000927890046 1211590475 /nfs/dbraw/zinc/59/04/75/1211590475.db2.gz DWVUYLXSEKKGBS-ZIAGYGMSSA-N 2 0 362.478 0.532 10 0 FCAERP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000927927415 1211593331 /nfs/dbraw/zinc/59/33/31/1211593331.db2.gz PINBOZPFYILGTN-CABCVRRESA-N 2 0 359.474 0.621 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2cnc(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)cn2)CC[NH+]1C ZINC000928425380 1211602559 /nfs/dbraw/zinc/60/25/59/1211602559.db2.gz CGAJEJZOAHBHHX-XJFOESAGSA-N 2 0 360.462 0.121 10 0 FCAERP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000929647105 1211652983 /nfs/dbraw/zinc/65/29/83/1211652983.db2.gz XRBCRGVFSVUIKP-QGZVFWFLSA-N 2 0 366.506 0.204 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C[N@@H+]1C1CC1 ZINC000930482244 1211708979 /nfs/dbraw/zinc/70/89/79/1211708979.db2.gz YYXHUABTFYTNHW-CKEIUWERSA-N 2 0 364.490 0.097 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000930932256 1211729265 /nfs/dbraw/zinc/72/92/65/1211729265.db2.gz FPKPACAXLOZQJK-KRWDZBQOSA-N 2 0 368.522 0.450 10 0 FCAERP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000931017121 1211735576 /nfs/dbraw/zinc/73/55/76/1211735576.db2.gz DFHZYIKDZONURY-DLBZAZTESA-N 2 0 361.490 0.791 10 0 FCAERP CN1CC[N@H+](CC(CN2CC[NH+](C)[C@@H](CO)C2)C2CCCC2)C[C@@H]1CO ZINC000931398724 1211753195 /nfs/dbraw/zinc/75/31/95/1211753195.db2.gz SVAXKISFVFJNPJ-WOJBJXKFSA-N 2 0 368.566 0.009 10 0 FCAERP CON1CC[C@@H]([N@H+](C)[C@@H]2CC[C@@H]([NH+](C)[C@H]3CCN(OC)C3=O)CC2)C1=O ZINC000931737320 1211772266 /nfs/dbraw/zinc/77/22/66/1211772266.db2.gz HUDUMHXHIKIXHD-ZNNBLSDJSA-N 2 0 368.478 0.486 10 0 FCAERP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000900176571 1217967313 /nfs/dbraw/zinc/96/73/13/1217967313.db2.gz PKNMTIKBTSPEDJ-AZUAARDMSA-N 2 0 360.502 0.770 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)cn2)CC1 ZINC000900229719 1217973346 /nfs/dbraw/zinc/97/33/46/1217973346.db2.gz QSGOXWOFWAGMAE-APWZRJJASA-N 2 0 361.490 0.295 10 0 FCAERP O=C(NC[C@@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)C12CC[NH+](CC1)C2 ZINC000900662257 1218020694 /nfs/dbraw/zinc/02/06/94/1218020694.db2.gz KVQJPILISVTORF-IAGOWNOFSA-N 2 0 374.529 0.969 10 0 FCAERP CCNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001276983609 1225786307 /nfs/dbraw/zinc/78/63/07/1225786307.db2.gz ORMRVYDOHKPHSW-ZQDZILKHSA-N 2 0 367.494 0.047 10 0 FCAERP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000901069351 1218073939 /nfs/dbraw/zinc/07/39/39/1218073939.db2.gz YARKLLAJKMTFEB-UYAOXDASSA-N 2 0 361.486 0.369 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NCCCc1ccccc1)C2 ZINC000903490934 1218424987 /nfs/dbraw/zinc/42/49/87/1218424987.db2.gz NQYCWVGBFZYJBR-QKLQHJQFSA-N 2 0 359.470 0.948 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)C(=O)NCCc1ccccc1)C2 ZINC000903491782 1218425976 /nfs/dbraw/zinc/42/59/76/1218425976.db2.gz AQEILBXQAOHJBK-REGYPHIPSA-N 2 0 359.470 0.946 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NCc1ccc(OC)cc1)C2 ZINC000903491179 1218426080 /nfs/dbraw/zinc/42/60/80/1218426080.db2.gz YNZFQIKZEQERDH-KHYOSLBOSA-N 2 0 361.442 0.524 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[C@H]1CC[NH3+] ZINC000903760293 1218518962 /nfs/dbraw/zinc/51/89/62/1218518962.db2.gz SAXJPQIPOFEDEF-XLMAVXFVSA-N 2 0 362.518 0.905 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[C@H]1CC[NH3+] ZINC000903774364 1218522319 /nfs/dbraw/zinc/52/23/19/1218522319.db2.gz ZYTMSBHVXOTMTL-HZPDHXFCSA-N 2 0 366.506 0.143 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)C[C@H]1CC[NH3+] ZINC000903779291 1218524491 /nfs/dbraw/zinc/52/44/91/1218524491.db2.gz YCFJPXDWWZJQLW-BHIYHBOVSA-N 2 0 372.513 0.815 10 0 FCAERP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000903785403 1218525859 /nfs/dbraw/zinc/52/58/59/1218525859.db2.gz VDWNKIPJZPTVSX-IRXDYDNUSA-N 2 0 366.506 0.158 10 0 FCAERP C[NH2+]CCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1)C(C)C ZINC000903815008 1218545121 /nfs/dbraw/zinc/54/51/21/1218545121.db2.gz YPRYAZIKGBWRRA-UHFFFAOYSA-N 2 0 363.462 0.195 10 0 FCAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cnn1C ZINC000903924482 1218566059 /nfs/dbraw/zinc/56/60/59/1218566059.db2.gz DQZLEYNLMKAHGH-GOEBONIOSA-N 2 0 359.478 0.365 10 0 FCAERP COCCN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cn1 ZINC000903977246 1218580125 /nfs/dbraw/zinc/58/01/25/1218580125.db2.gz MMLLTXVVURYVIU-FCEWJHQRSA-N 2 0 362.474 0.877 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490941952 1220052574 /nfs/dbraw/zinc/05/25/74/1220052574.db2.gz YWQRYWNRGQVSMZ-CHWSQXEVSA-N 2 0 366.428 0.784 10 0 FCAERP CN1CC[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)[C@@H]1c1ccc(F)cc1 ZINC001117125506 1221474647 /nfs/dbraw/zinc/47/46/47/1221474647.db2.gz CIHKMCVJYHFRJW-IRXDYDNUSA-N 2 0 362.449 0.898 10 0 FCAERP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC001118329813 1221761186 /nfs/dbraw/zinc/76/11/86/1221761186.db2.gz XWGSMKZVFYCMGF-UHFFFAOYSA-N 2 0 373.501 0.300 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1cccc2c1C[NH2+]CC2 ZINC001119037398 1221859530 /nfs/dbraw/zinc/85/95/30/1221859530.db2.gz SFTHAFPFJWIOQG-DOMZBBRYSA-N 2 0 358.442 0.408 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)C[C@H]1C[NH+](C)C ZINC001119179570 1221882754 /nfs/dbraw/zinc/88/27/54/1221882754.db2.gz PWSPZGXIMYJTPU-VXIBKDFQSA-N 2 0 368.522 0.705 10 0 FCAERP [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)N1CCC[N@@H+]3CCC[C@H]3C1)CC2 ZINC001119703380 1221953684 /nfs/dbraw/zinc/95/36/84/1221953684.db2.gz PFMNTYJVKXDYDB-HOTGVXAUSA-N 2 0 364.490 0.040 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001119704055 1221953860 /nfs/dbraw/zinc/95/38/60/1221953860.db2.gz CCRRMQXKHNLROP-HUUCEWRRSA-N 2 0 359.474 0.610 10 0 FCAERP C[N@H+]1C[C@@H]2[C@H](NC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)CC[C@@H]2C1 ZINC001123650432 1222347286 /nfs/dbraw/zinc/34/72/86/1222347286.db2.gz SMENBCRHRIMLQA-FGTMMUONSA-N 2 0 372.517 0.973 10 0 FCAERP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCC[C@H]2[NH+]2CCC(O)CC2)CC1 ZINC001123862520 1222361299 /nfs/dbraw/zinc/36/12/99/1222361299.db2.gz MVXQINQRMABVMT-RTBURBONSA-N 2 0 366.550 0.897 10 0 FCAERP C/C(=C\C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC001123928867 1222367216 /nfs/dbraw/zinc/36/72/16/1222367216.db2.gz NMOOWVIEOKYRAV-ITNXGIBWSA-N 2 0 374.529 0.753 10 0 FCAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000828284799 1222399496 /nfs/dbraw/zinc/39/94/96/1222399496.db2.gz SARHBVJFRDKELY-DJIMGWMZSA-N 2 0 366.506 0.033 10 0 FCAERP 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C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCc2ccnn2C)CC[N@@H+]1C ZINC001677157404 1292226504 /nfs/dbraw/zinc/22/65/04/1292226504.db2.gz VPXBGFUFWABQTF-HYVNUMGLSA-N 2 0 351.495 0.054 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH2+]CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001677488834 1292237122 /nfs/dbraw/zinc/23/71/22/1292237122.db2.gz SVGXBAFXADSWNV-HZPDHXFCSA-N 2 0 354.495 0.014 10 0 FCAERP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001685673299 1292588870 /nfs/dbraw/zinc/58/88/70/1292588870.db2.gz FFNJVVPOWNJLTO-IXDOHACOSA-N 2 0 368.522 0.117 10 0 FCAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001685691215 1292596637 /nfs/dbraw/zinc/59/66/37/1292596637.db2.gz OAJODXSITYUAOA-HZPDHXFCSA-N 2 0 350.507 0.633 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NCCN1CCOCC1 ZINC000751010656 836459114 /nfs/dbraw/zinc/45/91/14/836459114.db2.gz KOYYLMAWKQIDQC-KRWDZBQOSA-N 2 0 371.595 0.541 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC001118267717 847354370 /nfs/dbraw/zinc/35/43/70/847354370.db2.gz CKMXQTHFYNNSSQ-GOEBONIOSA-N 2 0 354.495 0.012 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CSc2cccc[n+]2[O-])C[C@H]1C[NH+](C)C ZINC001119044733 847692431 /nfs/dbraw/zinc/69/24/31/847692431.db2.gz JVSJQPKAMXGGAV-HUUCEWRRSA-N 2 0 352.504 0.610 10 0 FCAERP O=C(CC[C@H]1CCC[NH2+]C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001119067918 847701158 /nfs/dbraw/zinc/70/11/58/847701158.db2.gz RGVLDKGLPCUNHC-BMFZPTHFSA-N 2 0 350.463 0.550 10 0 FCAERP CC(C)[NH+]1CCN(C2CC[NH+](CC3CN(S(C)(=O)=O)C3)CC2)CC1 ZINC001119768142 847969289 /nfs/dbraw/zinc/96/92/89/847969289.db2.gz CBOOFBXPPIUTTF-UHFFFAOYSA-N 2 0 358.552 0.368 10 0 FCAERP CC(C)S(=O)(=O)CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277825414 862118062 /nfs/dbraw/zinc/11/80/62/862118062.db2.gz AACZNRKXDYHYKE-ARFHVFGLSA-N 2 0 361.552 0.976 10 0 FCAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCNC(=O)C(F)(F)F ZINC001277825775 862119275 /nfs/dbraw/zinc/11/92/75/862119275.db2.gz GRNNOUBMLLPSIY-YNEHKIRRSA-N 2 0 366.428 0.832 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2cc(OC)no2)CC[N@@H+]1C ZINC001278761603 862458401 /nfs/dbraw/zinc/45/84/01/862458401.db2.gz GMMIHVDTZSGNEH-VHDGCEQUSA-N 2 0 354.451 0.322 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001279236918 862779494 /nfs/dbraw/zinc/77/94/94/862779494.db2.gz ZURSABPGVLBKLD-PRLABOORSA-N 2 0 371.547 0.730 10 0 FCAERP CNC(=O)[C@@H]1CC[NH+](CC[Si](C)(C)CC[N@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC001261798951 858668313 /nfs/dbraw/zinc/66/83/13/858668313.db2.gz YSHAWBBENBWTEE-IYBDPMFKSA-N 2 0 368.598 0.831 10 0 FCAERP CC[NH+]1CCN(CCCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001261850248 858685190 /nfs/dbraw/zinc/68/51/90/858685190.db2.gz FJJCTCGBDCBTSA-QGZVFWFLSA-N 2 0 350.511 0.822 10 0 FCAERP CC[C@H]1CC[C@H](C)N1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001261864455 858692129 /nfs/dbraw/zinc/69/21/29/858692129.db2.gz DYRJHDHZVMKVLD-HZMVEIRTSA-N 2 0 352.523 0.974 10 0 FCAERP CCCCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001263926081 859244797 /nfs/dbraw/zinc/24/47/97/859244797.db2.gz DLLCLFAZCAPKII-JKSUJKDBSA-N 2 0 350.507 0.873 10 0 FCAERP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001264466395 859359956 /nfs/dbraw/zinc/35/99/56/859359956.db2.gz YDUXGKGYUGPXIO-GZBFAFLISA-N 2 0 350.463 0.150 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001264618442 859402064 /nfs/dbraw/zinc/40/20/64/859402064.db2.gz GAUOUWDNEVKRJE-BHYGNILZSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCCNC(=O)C(F)(F)F)C2)CC[N@@H+]1C ZINC001265431196 859460134 /nfs/dbraw/zinc/46/01/34/859460134.db2.gz YUVATNJQEFYTIQ-FRRDWIJNSA-N 2 0 364.412 0.586 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001266909468 859492329 /nfs/dbraw/zinc/49/23/29/859492329.db2.gz RHMWWQRYMFHVFY-SSHXOBKSSA-N 2 0 359.536 0.778 10 0 FCAERP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266901038 859492351 /nfs/dbraw/zinc/49/23/51/859492351.db2.gz JOMCBBNTHLSNER-JQOWZUPLSA-N 2 0 350.507 0.676 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001266939129 859493750 /nfs/dbraw/zinc/49/37/50/859493750.db2.gz ANCMHRHGIITGFP-SDDRHHMPSA-N 2 0 352.401 0.490 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001267584328 859510496 /nfs/dbraw/zinc/51/04/96/859510496.db2.gz ZFJHJGNLBGAXKI-YESZJQIVSA-N 2 0 350.507 0.729 10 0 FCAERP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001267787095 859516937 /nfs/dbraw/zinc/51/69/37/859516937.db2.gz VHQDSUWGFPLQGL-HYVNUMGLSA-N 2 0 350.507 0.776 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001268064644 859522249 /nfs/dbraw/zinc/52/22/49/859522249.db2.gz SIKXKYLVASWQHU-FRRDWIJNSA-N 2 0 366.428 0.832 10 0 FCAERP CCc1nc(C)c(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)o1 ZINC001268307106 859528066 /nfs/dbraw/zinc/52/80/66/859528066.db2.gz FQABPCGJCLYHKK-SOUVJXGZSA-N 2 0 352.479 0.842 10 0 FCAERP CCc1nc(C)c(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)o1 ZINC001268307105 859528230 /nfs/dbraw/zinc/52/82/30/859528230.db2.gz FQABPCGJCLYHKK-QLFBSQMISA-N 2 0 352.479 0.842 10 0 FCAERP CCCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268449403 859533774 /nfs/dbraw/zinc/53/37/74/859533774.db2.gz BQKSVSXXMYMFOS-ZIAGYGMSSA-N 2 0 355.483 0.001 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC001280764730 863448487 /nfs/dbraw/zinc/44/84/87/863448487.db2.gz YPVOECVBXWVKCG-KLHDSHLOSA-N 2 0 350.507 0.822 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)CCN2CCNC2=O)CC[N@@H+]1C ZINC001280815240 863450086 /nfs/dbraw/zinc/45/00/86/863450086.db2.gz YZJHUARYTORZKM-JKSUJKDBSA-N 2 0 353.511 0.522 10 0 FCAERP CC[C@@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)[NH+](C)C ZINC001282139617 864080456 /nfs/dbraw/zinc/08/04/56/864080456.db2.gz OHCWTKDRLBDCRD-XHSDSOJGSA-N 2 0 350.507 0.824 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001282256837 864143982 /nfs/dbraw/zinc/14/39/82/864143982.db2.gz LUPQXFHDJOVBMI-OWCLPIDISA-N 2 0 350.507 0.776 10 0 FCAERP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1)[NH+](C)C ZINC001282452055 864267956 /nfs/dbraw/zinc/26/79/56/864267956.db2.gz SGQWBGJGNKMQLZ-FRQCXROJSA-N 2 0 352.523 0.975 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC001282451429 864268204 /nfs/dbraw/zinc/26/82/04/864268204.db2.gz LZGJCJHDTMGWSY-HNAYVOBHSA-N 2 0 350.507 0.729 10 0 FCAERP CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1)[NH+](C)C ZINC001282452056 864268419 /nfs/dbraw/zinc/26/84/19/864268419.db2.gz SGQWBGJGNKMQLZ-TXPKVOOTSA-N 2 0 352.523 0.975 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cc(CO)ccc2F)CC[N@@H+]1C ZINC001283759631 864517747 /nfs/dbraw/zinc/51/77/47/864517747.db2.gz IJKZCNKYBIXAKA-DAXOMENPSA-N 2 0 353.438 0.225 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)C(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001283979562 864534011 /nfs/dbraw/zinc/53/40/11/864534011.db2.gz MXBJCPAZZSTXTH-BRWVUGGUSA-N 2 0 352.523 0.975 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001288979308 864836498 /nfs/dbraw/zinc/83/64/98/864836498.db2.gz QZGIYNRUTONXSW-IXDOHACOSA-N 2 0 350.507 0.729 10 0 FCAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001289304633 865012190 /nfs/dbraw/zinc/01/21/90/865012190.db2.gz GICRHXWXYIEBAG-IAGOWNOFSA-N 2 0 350.507 0.921 10 0 FCAERP CO[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001289486337 865092395 /nfs/dbraw/zinc/09/23/95/865092395.db2.gz PSRYPNNQEARCGQ-KLHDSHLOSA-N 2 0 354.495 0.009 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1OC ZINC001289487424 865093185 /nfs/dbraw/zinc/09/31/85/865093185.db2.gz LZQDCDDLZFAZBP-KLHDSHLOSA-N 2 0 354.495 0.010 10 0 FCAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1OC ZINC001289520555 865117110 /nfs/dbraw/zinc/11/71/10/865117110.db2.gz VXGIUADMLFFXFZ-HZPDHXFCSA-N 2 0 354.495 0.156 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001289530471 865121651 /nfs/dbraw/zinc/12/16/51/865121651.db2.gz ZDUYACRWBWTVGD-OWCLPIDISA-N 2 0 354.495 0.155 10 0 FCAERP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001290933065 865561349 /nfs/dbraw/zinc/56/13/49/865561349.db2.gz OOQLOQYUXVAFFV-INMHGKMJSA-N 2 0 350.507 0.776 10 0 FCAERP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001292142437 865691182 /nfs/dbraw/zinc/69/11/82/865691182.db2.gz WHMPKWACGGJDTE-VQHPVUNQSA-N 2 0 350.507 0.917 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001294990763 865867281 /nfs/dbraw/zinc/86/72/81/865867281.db2.gz KMUXINQUUTUGOH-VVLHAWIVSA-N 2 0 350.507 0.870 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001295210844 865886987 /nfs/dbraw/zinc/88/69/87/865886987.db2.gz IRAQEGOIDBBCHH-XUWVNRHRSA-N 2 0 354.495 0.058 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCOCC[NH+](C)C)CC1=O ZINC001295811438 865923244 /nfs/dbraw/zinc/92/32/44/865923244.db2.gz FJFMUGLMJMHVEU-HOTGVXAUSA-N 2 0 354.495 0.014 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@@H+]1C ZINC001299400654 866173080 /nfs/dbraw/zinc/17/30/80/866173080.db2.gz PLGHZLCXVDKCJP-JKSUJKDBSA-N 2 0 350.507 0.728 10 0 FCAERP 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ZINC001327501306 870911265 /nfs/dbraw/zinc/91/12/65/870911265.db2.gz SGMNQEUKLRAWTE-UHFFFAOYSA-N 2 0 353.511 0.888 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001327981353 871168689 /nfs/dbraw/zinc/16/86/89/871168689.db2.gz DGMKQEFIUOZEMV-HZPDHXFCSA-N 2 0 350.507 0.920 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@@H]2C1 ZINC001345114771 871193878 /nfs/dbraw/zinc/19/38/78/871193878.db2.gz CJGTWEQBWWNBPJ-CVEARBPZSA-N 2 0 350.507 0.587 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1C ZINC001346156041 871673702 /nfs/dbraw/zinc/67/37/02/871673702.db2.gz LWBJKQVHQAGHMF-HIFRSBDPSA-N 2 0 350.467 0.324 10 0 FCAERP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001346242929 871723384 /nfs/dbraw/zinc/72/33/84/871723384.db2.gz OCIUGGFBJWCZFA-BZUAXINKSA-N 2 0 350.507 0.491 10 0 FCAERP O=C(CCC1CC[NH2+]CC1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001329645577 872152099 /nfs/dbraw/zinc/15/20/99/872152099.db2.gz BGDPLFDSIQNNSQ-CVEARBPZSA-N 2 0 350.463 0.550 10 0 FCAERP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC001329822285 872284899 /nfs/dbraw/zinc/28/48/99/872284899.db2.gz NQIGRPSURNOTIB-CABCVRRESA-N 2 0 350.438 0.883 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001347609930 872417106 /nfs/dbraw/zinc/41/71/06/872417106.db2.gz WRQAFLWNQPRSNG-VQHPVUNQSA-N 2 0 350.507 0.917 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cnc(C3OCCO3)s2)C[C@H]1C[NH+](C)C ZINC001330602210 872726911 /nfs/dbraw/zinc/72/69/11/872726911.db2.gz FKBCHRUZROQPSA-CHWSQXEVSA-N 2 0 368.503 1.000 10 0 FCAERP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001348865505 872816191 /nfs/dbraw/zinc/81/61/91/872816191.db2.gz WLJQSGFFPHHMRW-QAPCUYQASA-N 2 0 350.507 0.382 10 0 FCAERP CC[NH+](CC)C1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC001331966615 873318320 /nfs/dbraw/zinc/31/83/20/873318320.db2.gz 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ZINC000368216950 216219043 /nfs/dbraw/zinc/21/90/43/216219043.db2.gz VEDFCXUSDGHLQJ-OAHLLOKOSA-N 2 0 355.508 0.701 10 0 FCAERP CS(=O)(=O)CCN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237305141 209351619 /nfs/dbraw/zinc/35/16/19/209351619.db2.gz SUDNTJJJEYRUDF-KBMXLJTQSA-N 2 0 357.520 0.532 10 0 FCAERP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)CC1 ZINC000368329587 216235498 /nfs/dbraw/zinc/23/54/98/216235498.db2.gz DFKJAIJWDDUIAV-GOSISDBHSA-N 2 0 354.539 0.029 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000189789248 209261068 /nfs/dbraw/zinc/26/10/68/209261068.db2.gz RFHDURQUORQCID-UHFFFAOYSA-N 2 0 374.489 0.785 10 0 FCAERP C[NH+](C)CCn1nccc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000931566519 674120098 /nfs/dbraw/zinc/12/00/98/674120098.db2.gz FSLKZPCHKMKPCQ-OAHLLOKOSA-N 2 0 350.467 0.820 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000417943839 245740488 /nfs/dbraw/zinc/74/04/88/245740488.db2.gz VKZAFCVRRQVBFP-PCKAHOCUSA-N 2 0 353.511 0.603 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCC1)C(=O)NCC[NH+](C)C ZINC000418624855 245807862 /nfs/dbraw/zinc/80/78/62/245807862.db2.gz PHXHXPPDCUWIFI-HOTGVXAUSA-N 2 0 355.527 0.896 10 0 FCAERP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000419217768 246062748 /nfs/dbraw/zinc/06/27/48/246062748.db2.gz QYAWYYNQEKBUOI-MRXNPFEDSA-N 2 0 362.474 0.502 10 0 FCAERP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C[N@@H+]1C1CC1 ZINC000419317202 246097856 /nfs/dbraw/zinc/09/78/56/246097856.db2.gz MNDWJKRACFYWTL-ZLJBEDRVSA-N 2 0 374.529 0.998 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419330688 246100295 /nfs/dbraw/zinc/10/02/95/246100295.db2.gz IGDSIQLSXKYANH-ZBWGEAGCSA-N 2 0 374.529 0.855 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC000419416466 246149746 /nfs/dbraw/zinc/14/97/46/246149746.db2.gz WBTDJTHJTYDUIP-HZPDHXFCSA-N 2 0 350.438 0.803 10 0 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/nfs/dbraw/zinc/25/44/11/247254411.db2.gz DRRNXZJZLCXOCS-QXCFHYIPSA-N 2 0 370.497 0.834 10 0 FCAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424543421 247256618 /nfs/dbraw/zinc/25/66/18/247256618.db2.gz JRSDTCRJRSPRTC-DSLXNQLJSA-N 2 0 370.497 0.834 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424543428 247257835 /nfs/dbraw/zinc/25/78/35/247257835.db2.gz JRSDTCRJRSPRTC-XGXHKWSGSA-N 2 0 370.497 0.834 10 0 FCAERP CC(C)C[C@H](NC(=O)NCC1([NH+](C)C)CCC1)C(=O)NCC[NH+](C)C ZINC000446620993 248392663 /nfs/dbraw/zinc/39/26/63/248392663.db2.gz UIBZCGPOBMFQDV-HNNXBMFYSA-N 2 0 355.527 0.862 10 0 FCAERP CC[NH+]1CCN(CC(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)CC1 ZINC000469927645 250013640 /nfs/dbraw/zinc/01/36/40/250013640.db2.gz KYMSMMTUDABWRE-GOSISDBHSA-N 2 0 352.523 0.727 10 0 FCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000106125319 208211822 /nfs/dbraw/zinc/21/18/22/208211822.db2.gz IDKIXOYUDWTGIZ-CQSZACIVSA-N 2 0 362.474 0.749 10 0 FCAERP C[N@@H+](CC(=O)N1CCNC1=O)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128151 208212703 /nfs/dbraw/zinc/21/27/03/208212703.db2.gz ABDPNGJDPIGAQD-SFHVURJKSA-N 2 0 374.485 0.916 10 0 FCAERP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000112549944 208297060 /nfs/dbraw/zinc/29/70/60/208297060.db2.gz RROAAENLHBSUSR-PBHICJAKSA-N 2 0 362.474 0.866 10 0 FCAERP CC[NH+](CC)CCNC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000117468559 208345939 /nfs/dbraw/zinc/34/59/39/208345939.db2.gz ZCTOFFOPOJIERA-SFHVURJKSA-N 2 0 369.554 0.765 10 0 FCAERP C[NH+](C)C[C@@H]1CN(CCCCCN2CCO[C@H](C[NH+](C)C)C2)CCO1 ZINC000158003481 208803365 /nfs/dbraw/zinc/80/33/65/208803365.db2.gz ANSIZZHGGMRSEE-RTBURBONSA-N 2 0 356.555 0.682 10 0 FCAERP Cc1nccn1C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1cnn(C)c1 ZINC000178336821 209048699 /nfs/dbraw/zinc/04/86/99/209048699.db2.gz KSNQNYUOYUTZIB-CQSZACIVSA-N 2 0 352.464 0.368 10 0 FCAERP CC(C)C(=O)NCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179104972 209071868 /nfs/dbraw/zinc/07/18/68/209071868.db2.gz LYMBKHZTTRDADH-SJPCQFCGSA-N 2 0 365.522 0.711 10 0 FCAERP CNC(=O)CN1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000179104196 209072366 /nfs/dbraw/zinc/07/23/66/209072366.db2.gz ROIKVPGZWLIZPX-PKOBYXMFSA-N 2 0 373.501 0.941 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)n1 ZINC000484995005 484099762 /nfs/dbraw/zinc/09/97/62/484099762.db2.gz HWCUJOYUETYNRT-UHFFFAOYSA-N 2 0 362.478 0.516 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC000288068709 488939983 /nfs/dbraw/zinc/93/99/83/488939983.db2.gz AMGKKKZTBLCHAN-OKZBNKHCSA-N 2 0 356.470 0.855 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](CC3CC3)CC2)C1 ZINC000052164721 488158993 /nfs/dbraw/zinc/15/89/93/488158993.db2.gz ZLNYGPNTOQJALO-SFHVURJKSA-N 2 0 352.523 0.487 10 0 FCAERP COCC[NH+]1CCC(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000184964487 488398910 /nfs/dbraw/zinc/39/89/10/488398910.db2.gz FUMJRYNFHZQECO-INIZCTEOSA-N 2 0 370.538 0.831 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000077825476 488418298 /nfs/dbraw/zinc/41/82/98/488418298.db2.gz LCEZYMCKCDKRRV-KRWDZBQOSA-N 2 0 361.490 0.927 10 0 FCAERP C[NH+]1CCC[C@H]1CNC(=O)c1cncc(C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000194697030 488433523 /nfs/dbraw/zinc/43/35/23/488433523.db2.gz WVSFSQJYGPCHPD-IRXDYDNUSA-N 2 0 359.474 0.730 10 0 FCAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCNS(C)(=O)=O)CC1 ZINC000088694109 488456375 /nfs/dbraw/zinc/45/63/75/488456375.db2.gz ZXWIYRVDEIXXPH-UHFFFAOYSA-N 2 0 354.520 0.857 10 0 FCAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[C@@H]3C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)C[C@H]12 ZINC000248638311 488499508 /nfs/dbraw/zinc/49/95/08/488499508.db2.gz QTYUOHFMEPXJKS-CNDKDYJWSA-N 2 0 374.529 0.794 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)C1 ZINC000249399894 488509531 /nfs/dbraw/zinc/50/95/31/488509531.db2.gz UUIXMKSPXODKCM-BZUAXINKSA-N 2 0 354.495 0.093 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])C3CCOCC3)cn2)CC1 ZINC000261755998 488534802 /nfs/dbraw/zinc/53/48/02/488534802.db2.gz LKNLHQCKEXVAGQ-SFHVURJKSA-N 2 0 361.490 0.594 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000119369434 488557073 /nfs/dbraw/zinc/55/70/73/488557073.db2.gz VVSGFYQBCCYKGE-AQFXKWCLSA-N 2 0 367.538 0.993 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000562987641 491206272 /nfs/dbraw/zinc/20/62/72/491206272.db2.gz ZCUWPTVTGBHFPB-MRXNPFEDSA-N 2 0 354.882 0.268 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)CC1 ZINC000125767581 488603844 /nfs/dbraw/zinc/60/38/44/488603844.db2.gz OZDJIOFXXUSARZ-NVXWUHKLSA-N 2 0 350.507 0.966 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[NH+](C3CC3)CC2)C1 ZINC000145753004 488693444 /nfs/dbraw/zinc/69/34/44/488693444.db2.gz HBZUKZYXLOAXMA-SFHVURJKSA-N 2 0 352.523 0.630 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000171899787 488828266 /nfs/dbraw/zinc/82/82/66/488828266.db2.gz UPMFRVPJMLTKQP-QGZVFWFLSA-N 2 0 358.490 0.823 10 0 FCAERP CC(=O)N[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000178595477 488860425 /nfs/dbraw/zinc/86/04/25/488860425.db2.gz UXYFGFHOQKKZER-HDICACEKSA-N 2 0 354.495 0.204 10 0 FCAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000181725056 488863864 /nfs/dbraw/zinc/86/38/64/488863864.db2.gz HMKZGRVCHUEGIK-SJORKVTESA-N 2 0 369.554 0.357 10 0 FCAERP COC[C@H](C)OC[C@@H](O)C[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000365711373 489102836 /nfs/dbraw/zinc/10/28/36/489102836.db2.gz KRGXZYPWAFAWDV-IHPCNDPISA-N 2 0 366.502 0.968 10 0 FCAERP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000369859734 489282938 /nfs/dbraw/zinc/28/29/38/489282938.db2.gz CQODSZAOMWDZMT-MSOLQXFVSA-N 2 0 363.506 0.049 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000570601646 491252525 /nfs/dbraw/zinc/25/25/25/491252525.db2.gz OTGVCNXPYNLXMY-UHFFFAOYSA-N 2 0 363.462 0.644 10 0 FCAERP C[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000423086802 489491919 /nfs/dbraw/zinc/49/19/19/489491919.db2.gz OEOAQECDQBHDKZ-DOTOQJQBSA-N 2 0 350.507 0.764 10 0 FCAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423178740 489500435 /nfs/dbraw/zinc/50/04/35/489500435.db2.gz GMQWXLXYJSLLLG-CYBMUJFWSA-N 2 0 357.296 0.884 10 0 FCAERP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000423224689 489505229 /nfs/dbraw/zinc/50/52/29/489505229.db2.gz JWTPUAIWYFMWFU-IAGOWNOFSA-N 2 0 350.507 0.921 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000451459707 489505488 /nfs/dbraw/zinc/50/54/88/489505488.db2.gz IFKFJNBYRVPVCY-JOCBIADPSA-N 2 0 353.507 0.863 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423259245 489508526 /nfs/dbraw/zinc/50/85/26/489508526.db2.gz DJVFFZVFIRHAIR-CVEARBPZSA-N 2 0 354.495 0.014 10 0 FCAERP CN(C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000423275479 489510266 /nfs/dbraw/zinc/51/02/66/489510266.db2.gz NBXCNPHYMSGEJP-IRXDYDNUSA-N 2 0 362.518 0.918 10 0 FCAERP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCOC3(C[NH2+]C3)C2)c1 ZINC000415897389 489564342 /nfs/dbraw/zinc/56/43/42/489564342.db2.gz RWVKGZBJNZJEAE-UHFFFAOYSA-N 2 0 360.458 0.668 10 0 FCAERP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000416297992 489579838 /nfs/dbraw/zinc/57/98/38/489579838.db2.gz QEHLJEBQZXSWCW-IRXDYDNUSA-N 2 0 353.507 0.935 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000417748611 489663858 /nfs/dbraw/zinc/66/38/58/489663858.db2.gz KLAFGFGTXTVOSS-INIZCTEOSA-N 2 0 353.511 0.605 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)[C@H]1c1ccccc1 ZINC000417932971 489672043 /nfs/dbraw/zinc/67/20/43/489672043.db2.gz DJDPFXVRCPBVQC-OKZBNKHCSA-N 2 0 373.501 0.928 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000458542989 489688158 /nfs/dbraw/zinc/68/81/58/489688158.db2.gz CFBKGFRWAVJUSX-BZSNNMDCSA-N 2 0 368.522 0.510 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000458542992 489688213 /nfs/dbraw/zinc/68/82/13/489688213.db2.gz CFBKGFRWAVJUSX-RCCFBDPRSA-N 2 0 368.522 0.510 10 0 FCAERP O=C(NCCC[NH2+]Cc1cccnc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000418330127 489692822 /nfs/dbraw/zinc/69/28/22/489692822.db2.gz PNDHDQNYCZBXMU-SFHVURJKSA-N 2 0 361.490 0.925 10 0 FCAERP O=C(CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)NCC[NH+]1CCCCCC1 ZINC000418753338 489722013 /nfs/dbraw/zinc/72/20/13/489722013.db2.gz VIHWSOOAQKFPJM-CYBMUJFWSA-N 2 0 361.437 0.275 10 0 FCAERP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418756652 489723428 /nfs/dbraw/zinc/72/34/28/489723428.db2.gz YLNUANUXBHSDFI-RDJZCZTQSA-N 2 0 368.428 0.920 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)NCC[NH+](C)C ZINC000418792544 489728363 /nfs/dbraw/zinc/72/83/63/489728363.db2.gz NSCPUAWDUXPOHH-TWMKSMIVSA-N 2 0 367.538 0.766 10 0 FCAERP C[C@@]1(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[N@@H+]1Cc1ccccc1 ZINC000418810928 489734020 /nfs/dbraw/zinc/73/40/20/489734020.db2.gz HOHQPPLQQOAPLH-LQWHRVPQSA-N 2 0 370.497 0.978 10 0 FCAERP COc1ccc([C@H](CNC(=O)C(=O)NCCC[NH3+])[NH+]2CCCCC2)cc1 ZINC000418831600 489744653 /nfs/dbraw/zinc/74/46/53/489744653.db2.gz LBKGUGGWJATMBE-KRWDZBQOSA-N 2 0 362.474 0.803 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C2(CO)CCSCC2)C1 ZINC000459699805 489749057 /nfs/dbraw/zinc/74/90/57/489749057.db2.gz AENVSMQVHBAHKT-HNNXBMFYSA-N 2 0 359.536 0.307 10 0 FCAERP CCN1CC[C@@H](NC(=O)C(=O)NCCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418865955 489764812 /nfs/dbraw/zinc/76/48/12/489764812.db2.gz MADGSXJRRHMWPJ-HIFRSBDPSA-N 2 0 372.391 0.820 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC2=CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000418900425 489782175 /nfs/dbraw/zinc/78/21/75/489782175.db2.gz DAKBNGWSXSSNBE-ROUUACIJSA-N 2 0 356.470 0.974 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000376770158 489793924 /nfs/dbraw/zinc/79/39/24/489793924.db2.gz ZMGYNMRDCDBHPV-UHFFFAOYSA-N 2 0 358.490 0.823 10 0 FCAERP CN(C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459928083 489796950 /nfs/dbraw/zinc/79/69/50/489796950.db2.gz XGRCPZYBXLUXSR-IPMKNSEASA-N 2 0 370.497 0.882 10 0 FCAERP COCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000418942991 489798169 /nfs/dbraw/zinc/79/81/69/489798169.db2.gz XYUPLTWILWVQOV-UHFFFAOYSA-N 2 0 354.495 0.381 10 0 FCAERP O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000418942174 489798279 /nfs/dbraw/zinc/79/82/79/489798279.db2.gz AKBNCSUGKOEJLL-OOKSDGMUSA-N 2 0 356.470 0.776 10 0 FCAERP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccco1 ZINC000418950167 489801258 /nfs/dbraw/zinc/80/12/58/489801258.db2.gz VUURKRVDNYQZIT-QLFBSQMISA-N 2 0 350.463 0.893 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000459962572 489805433 /nfs/dbraw/zinc/80/54/33/489805433.db2.gz YISQRRZXNLYQLK-DLBZAZTESA-N 2 0 350.507 0.729 10 0 FCAERP CNc1nc(C)cc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)n1 ZINC000376890425 489813098 /nfs/dbraw/zinc/81/30/98/489813098.db2.gz XTUKWIYVSVNWFU-UHFFFAOYSA-N 2 0 360.506 1.507 10 0 FCAERP [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCO1 ZINC000419007747 489816220 /nfs/dbraw/zinc/81/62/20/489816220.db2.gz RYKORLLYNZFMMP-SFHVURJKSA-N 2 0 374.485 0.475 10 0 FCAERP Cc1n[nH]cc1-c1nnc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000555914958 491282671 /nfs/dbraw/zinc/28/26/71/491282671.db2.gz LRMROEFIXVHSIL-UHFFFAOYSA-N 2 0 366.495 1.194 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[NH+]4CCC3CC4)cn2)CC1 ZINC000377107476 489852918 /nfs/dbraw/zinc/85/29/18/489852918.db2.gz UYAGRUKQBNAPQU-UHFFFAOYSA-N 2 0 358.490 0.823 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C2CC3CC(C2)CC1C3 ZINC000419124045 489868168 /nfs/dbraw/zinc/86/81/68/489868168.db2.gz YXJHCJQECQWCBM-UHFFFAOYSA-N 2 0 374.529 0.999 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000420058383 489898241 /nfs/dbraw/zinc/89/82/41/489898241.db2.gz JSMIIINGFDOWBM-HOCLYGCPSA-N 2 0 366.506 0.550 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000420112423 489916370 /nfs/dbraw/zinc/91/63/70/489916370.db2.gz HMWRKJQTWLNBCP-YOEHRIQHSA-N 2 0 364.465 0.830 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420116282 489918000 /nfs/dbraw/zinc/91/80/00/489918000.db2.gz LAVVGYFKTQODRE-WMLDXEAASA-N 2 0 364.465 0.830 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000420130147 489922984 /nfs/dbraw/zinc/92/29/84/489922984.db2.gz XROXRCYREJBGPH-ZFWWWQNUSA-N 2 0 352.504 0.753 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420131588 489924114 /nfs/dbraw/zinc/92/41/14/489924114.db2.gz ZCLCVTKSNBXTPU-SJLPKXTDSA-N 2 0 358.486 0.835 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000420191789 489946682 /nfs/dbraw/zinc/94/66/82/489946682.db2.gz AISQJFMNMUWCGZ-UHFFFAOYSA-N 2 0 362.518 0.810 10 0 FCAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420210116 489953906 /nfs/dbraw/zinc/95/39/06/489953906.db2.gz NBRKBLRNYTYHDJ-ZHCJQAHYSA-N 2 0 350.507 0.870 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000477678763 489984115 /nfs/dbraw/zinc/98/41/15/489984115.db2.gz NONPBELWIBXMOT-INIZCTEOSA-N 2 0 354.495 0.062 10 0 FCAERP COCC[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000477683162 489984244 /nfs/dbraw/zinc/98/42/44/489984244.db2.gz KVYBUUPEBHEWOU-HOTGVXAUSA-N 2 0 368.522 0.593 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000385672985 490129390 /nfs/dbraw/zinc/12/93/90/490129390.db2.gz 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Cc1cc(C)n(-c2ccc(C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)cn2)n1 ZINC000521863302 490304965 /nfs/dbraw/zinc/30/49/65/490304965.db2.gz XLXUVBPXOQDIPP-GOSISDBHSA-N 2 0 358.490 0.582 10 0 FCAERP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCc2ccc3c[nH+]cn3c2)C[C@@H](C)O1 ZINC000422476112 490344347 /nfs/dbraw/zinc/34/43/47/490344347.db2.gz UKACGUNIBURSBR-HUUCEWRRSA-N 2 0 373.457 0.566 10 0 FCAERP Cc1ccncc1N1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000422495682 490357954 /nfs/dbraw/zinc/35/79/54/490357954.db2.gz SSCNENPBDOLOGM-QGZVFWFLSA-N 2 0 373.501 0.887 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC[NH+](C)CCCOC)[C@H](C)C1 ZINC000509713550 490454624 /nfs/dbraw/zinc/45/46/24/490454624.db2.gz KLJPAOHBVDSJMN-CVEARBPZSA-N 2 0 356.511 0.260 10 0 FCAERP Cn1cc(C[C@@H](O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000468969107 490470270 /nfs/dbraw/zinc/47/02/70/490470270.db2.gz MWIRPQALGDCKAQ-GOSISDBHSA-N 2 0 372.473 0.047 10 0 FCAERP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000509982435 490482398 /nfs/dbraw/zinc/48/23/98/490482398.db2.gz MFLVTOCWDBVZBB-QGZVFWFLSA-N 2 0 368.522 0.500 10 0 FCAERP c1cc(N2CCN(CCC[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)CC2)cc[nH+]1 ZINC000422843100 490484309 /nfs/dbraw/zinc/48/43/09/490484309.db2.gz HASBATVCYQAAGC-PMACEKPBSA-N 2 0 359.518 0.950 10 0 FCAERP CC(C)NC(=O)Nc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000564845054 491330602 /nfs/dbraw/zinc/33/06/02/491330602.db2.gz QYEUUERFCNPBEZ-SFHVURJKSA-N 2 0 363.506 0.914 10 0 FCAERP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000422879548 490491382 /nfs/dbraw/zinc/49/13/82/490491382.db2.gz MLDXBMQGROLLJP-SJLPKXTDSA-N 2 0 361.490 0.607 10 0 FCAERP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCOC3C[NH2+]C3)cc2)C1 ZINC000571996324 491341458 /nfs/dbraw/zinc/34/14/58/491341458.db2.gz IPQOPLIUUMJYFJ-HNNXBMFYSA-N 2 0 360.458 0.701 10 0 FCAERP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000525810055 490637030 /nfs/dbraw/zinc/63/70/30/490637030.db2.gz WUFBZTJFAYHRGR-QGZVFWFLSA-N 2 0 363.506 0.585 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000502864354 490726276 /nfs/dbraw/zinc/72/62/76/490726276.db2.gz UCPWWKACEBWKSX-QGZVFWFLSA-N 2 0 356.511 0.755 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000565099123 491353741 /nfs/dbraw/zinc/35/37/41/491353741.db2.gz QQOPRQNVEWSZSW-QZTJIDSGSA-N 2 0 368.522 0.774 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000557122790 491354617 /nfs/dbraw/zinc/35/46/17/491354617.db2.gz WFRDJGGQSMYAHG-RDJZCZTQSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000514736712 490786125 /nfs/dbraw/zinc/78/61/25/490786125.db2.gz QTJOIFYLIJEEEB-MRXNPFEDSA-N 2 0 353.511 0.713 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000515073535 490807898 /nfs/dbraw/zinc/80/78/98/490807898.db2.gz KRUUIBHIVZLFBA-HNNXBMFYSA-N 2 0 365.522 0.761 10 0 FCAERP CS[C@H]1CN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)C[C@H]1[NH+](C)C ZINC000540125051 490808633 /nfs/dbraw/zinc/80/86/33/490808633.db2.gz TZNYOAAPPVJQQJ-CVEARBPZSA-N 2 0 363.531 0.951 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000515255447 490815513 /nfs/dbraw/zinc/81/55/13/490815513.db2.gz CZFARPMLOVVINU-HUUCEWRRSA-N 2 0 356.511 0.137 10 0 FCAERP C[C@@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+])C1=CC[N@H+](C)CC1 ZINC000516065121 490848558 /nfs/dbraw/zinc/84/85/58/490848558.db2.gz BFGHIKSJDCVLAS-RDTXWAMCSA-N 2 0 356.470 0.838 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)[C@H](C)C1 ZINC000529312091 490849444 /nfs/dbraw/zinc/84/94/44/490849444.db2.gz YCQFIFHAOPYEQS-CVEARBPZSA-N 2 0 356.511 0.931 10 0 FCAERP O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1)[C@@H]1CCC[NH2+]1 ZINC000529350605 490855747 /nfs/dbraw/zinc/85/57/47/490855747.db2.gz PFNGXTMKKLBBLU-JYJNAYRXSA-N 2 0 363.506 0.561 10 0 FCAERP CC1(C)NC(=O)N(CCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1=O 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CJMHJHNGMFEJPD-HOTGVXAUSA-N 2 0 354.495 0.204 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2CCc3c(Cl)cccc3C2)CC1 ZINC000565653884 491391383 /nfs/dbraw/zinc/39/13/83/491391383.db2.gz MINABQHNIPCDSN-KRWDZBQOSA-N 2 0 366.937 0.896 10 0 FCAERP COC(=O)c1ccc(OCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000565938889 491408236 /nfs/dbraw/zinc/40/82/36/491408236.db2.gz RPYVRWYIXJBHHZ-INIZCTEOSA-N 2 0 351.447 0.050 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000558245899 491422532 /nfs/dbraw/zinc/42/25/32/491422532.db2.gz LCHDEJIEVWDDTJ-QZTJIDSGSA-N 2 0 352.523 0.628 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000558458415 491431567 /nfs/dbraw/zinc/43/15/67/491431567.db2.gz GPJYOBFYHVFQEY-SJORKVTESA-N 2 0 368.522 0.404 10 0 FCAERP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)C2)C1 ZINC000573665438 491447158 /nfs/dbraw/zinc/44/71/58/491447158.db2.gz AWUQPJVNEKTENB-LJQANCHMSA-N 2 0 360.433 0.964 10 0 FCAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000573928861 491463542 /nfs/dbraw/zinc/46/35/42/491463542.db2.gz VNJLWDLNZFJILO-SJORKVTESA-N 2 0 366.506 0.299 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000566792293 491466882 /nfs/dbraw/zinc/46/68/82/491466882.db2.gz QAOHUCWDVCTEMD-UXHICEINSA-N 2 0 374.529 0.418 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000566979265 491478692 /nfs/dbraw/zinc/47/86/92/491478692.db2.gz BOOGHFNKQUTHDM-HNNXBMFYSA-N 2 0 354.495 0.014 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000559569299 491482236 /nfs/dbraw/zinc/48/22/36/491482236.db2.gz PXTSZVONCCCCDX-PBHICJAKSA-N 2 0 350.507 0.918 10 0 FCAERP CCN(C(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CC[N@H+](CC)C1 ZINC000668388768 493346007 /nfs/dbraw/zinc/34/60/07/493346007.db2.gz KAZTVTXNMKNNOX-SJORKVTESA-N 2 0 368.522 0.402 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000559833440 491503197 /nfs/dbraw/zinc/50/31/97/491503197.db2.gz NBQXRFJOYCUNII-UHFFFAOYSA-N 2 0 368.522 0.453 10 0 FCAERP CCC(CC)[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N1CCOCC1 ZINC000567679475 491522642 /nfs/dbraw/zinc/52/26/42/491522642.db2.gz YOJCHQWPLPESBU-MOPGFXCFSA-N 2 0 356.555 0.321 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000567711968 491524454 /nfs/dbraw/zinc/52/44/54/491524454.db2.gz XQULVHUZMQUWKA-QZTJIDSGSA-N 2 0 352.523 0.508 10 0 FCAERP O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000567785688 491529367 /nfs/dbraw/zinc/52/93/67/491529367.db2.gz DYFUYCYBKAAQEZ-KRWDZBQOSA-N 2 0 369.473 0.992 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000574975775 491531333 /nfs/dbraw/zinc/53/13/33/491531333.db2.gz DSUNSONADZZFTL-VQIMIIECSA-N 2 0 366.506 0.062 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000568052692 491550741 /nfs/dbraw/zinc/55/07/41/491550741.db2.gz FTECJNCZEKLCPG-MRXNPFEDSA-N 2 0 355.527 0.280 10 0 FCAERP CC[NH+]1CCC(CNC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000568117941 491554116 /nfs/dbraw/zinc/55/41/16/491554116.db2.gz VLBNESLRWXEMBE-UHFFFAOYSA-N 2 0 350.507 0.968 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)NCC(C)(C)CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000561222525 491585031 /nfs/dbraw/zinc/58/50/31/491585031.db2.gz NVSCTMSGZLNXAL-HZPDHXFCSA-N 2 0 352.523 0.929 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000576167154 491588203 /nfs/dbraw/zinc/58/82/03/491588203.db2.gz SKLWMDOPDIIBFR-HOTGVXAUSA-N 2 0 354.495 0.202 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(N3CCOCC3)CCCCC2)CC1 ZINC000576208668 491592898 /nfs/dbraw/zinc/59/28/98/491592898.db2.gz WFNADHADKNCXIE-GOSISDBHSA-N 2 0 354.539 0.219 10 0 FCAERP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000577126256 491593316 /nfs/dbraw/zinc/59/33/16/491593316.db2.gz FTFIYSFJAFQGMV-OAHLLOKOSA-N 2 0 361.442 0.346 10 0 FCAERP C[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000577524588 491629566 /nfs/dbraw/zinc/62/95/66/491629566.db2.gz RBEODWRLJTYGEQ-QGZVFWFLSA-N 2 0 368.522 0.452 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000577604490 491635825 /nfs/dbraw/zinc/63/58/25/491635825.db2.gz LHSVAUUGBGDXNP-ZACQAIPSSA-N 2 0 354.495 0.635 10 0 FCAERP CC(C)N1CC[C@H](NC(=O)C(=O)NC2C[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000577607119 491635939 /nfs/dbraw/zinc/63/59/39/491635939.db2.gz OMSUQDRHIYZBIV-HOTGVXAUSA-N 2 0 366.412 0.693 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000577950452 491665298 /nfs/dbraw/zinc/66/52/98/491665298.db2.gz IYCSYAJUMKOVTO-AWEZNQCLSA-N 2 0 364.494 0.822 10 0 FCAERP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCCO1 ZINC000578336179 491675004 /nfs/dbraw/zinc/67/50/04/491675004.db2.gz OLFJDMXBOKBCIC-LPHOPBHVSA-N 2 0 366.506 0.206 10 0 FCAERP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCCO1 ZINC000578336178 491675026 /nfs/dbraw/zinc/67/50/26/491675026.db2.gz OLFJDMXBOKBCIC-APWZRJJASA-N 2 0 366.506 0.206 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1=O ZINC000578774504 491684089 /nfs/dbraw/zinc/68/40/89/491684089.db2.gz BRRDJSBKLJTLEB-BFHYXJOUSA-N 2 0 358.433 0.433 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1=O ZINC000578774506 491684134 /nfs/dbraw/zinc/68/41/34/491684134.db2.gz BRRDJSBKLJTLEB-MGPQQGTHSA-N 2 0 358.433 0.433 10 0 FCAERP COc1ccccc1OC[C@H](C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000579228376 491693626 /nfs/dbraw/zinc/69/36/26/491693626.db2.gz KUAWQCLRYKGGGO-SJORKVTESA-N 2 0 351.491 0.908 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000580097023 491717394 /nfs/dbraw/zinc/71/73/94/491717394.db2.gz XMGCTAHANPASJD-INIZCTEOSA-N 2 0 353.511 0.794 10 0 FCAERP O=C(N[C@@H](CO)CN1CCOCC1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000580306598 491725213 /nfs/dbraw/zinc/72/52/13/491725213.db2.gz KMJMBMKLPYMFBC-QZTJIDSGSA-N 2 0 362.474 0.103 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000580333692 491726824 /nfs/dbraw/zinc/72/68/24/491726824.db2.gz XXCHNDTYGPCORW-ZWKOTPCHSA-N 3 0 366.550 0.923 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000580473320 491733094 /nfs/dbraw/zinc/73/30/94/491733094.db2.gz GQMHAOXZHPNSGT-OALUTQOASA-N 2 0 372.513 0.972 10 0 FCAERP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581181280 491762539 /nfs/dbraw/zinc/76/25/39/491762539.db2.gz KCOBSYFUFCJPSO-GHTZIAJQSA-N 2 0 370.497 0.979 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000589768030 491766028 /nfs/dbraw/zinc/76/60/28/491766028.db2.gz YPCGELMTLISFPX-QGZVFWFLSA-N 2 0 361.490 0.871 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000581384454 491770837 /nfs/dbraw/zinc/77/08/37/491770837.db2.gz XRBCHFJQJPVKEK-KRWDZBQOSA-N 2 0 366.506 0.302 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000581603205 491779491 /nfs/dbraw/zinc/77/94/91/491779491.db2.gz OLPUICMUMLXNAT-SQNIBIBYSA-N 2 0 352.523 0.366 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000582009221 491794208 /nfs/dbraw/zinc/79/42/08/491794208.db2.gz WNTCUYAAOAHYQG-UHFFFAOYSA-N 2 0 359.430 0.178 10 0 FCAERP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000582052984 491795538 /nfs/dbraw/zinc/79/55/38/491795538.db2.gz YQIFATQAEPHDGX-OIYCOIKZSA-N 2 0 352.479 0.347 10 0 FCAERP CCOC(CNC(=O)C[NH+]1CC[C@@H](C)C1)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000582974135 491834781 /nfs/dbraw/zinc/83/47/81/491834781.db2.gz SOXHNYCBPFTBOT-HZPDHXFCSA-N 2 0 368.522 0.308 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC000583020296 491836470 /nfs/dbraw/zinc/83/64/70/491836470.db2.gz SYSCYMKCTVHHEV-UONOGXRCSA-N 2 0 368.428 0.268 10 0 FCAERP CC[NH+](CC)CCS(=O)(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000583089150 491837643 /nfs/dbraw/zinc/83/76/43/491837643.db2.gz AAYRZBKMNYWAED-UHFFFAOYSA-N 2 0 356.492 0.884 10 0 FCAERP C[NH+]1CCC(CCNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000583253130 491840875 /nfs/dbraw/zinc/84/08/75/491840875.db2.gz FTTSPONMSCNEMN-UHFFFAOYSA-N 2 0 354.495 0.063 10 0 FCAERP C[NH+]1CCC(n2ccc(NC(=O)NC[C@@H]3CCCC[N@@H+]3CCO)n2)CC1 ZINC000583424337 491844632 /nfs/dbraw/zinc/84/46/32/491844632.db2.gz ITFFGPWANOHIEZ-INIZCTEOSA-N 2 0 364.494 1.118 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000611956347 491885515 /nfs/dbraw/zinc/88/55/15/491885515.db2.gz PAJWZXIHDCFYGO-DLBZAZTESA-N 2 0 368.522 0.404 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000611650163 491865728 /nfs/dbraw/zinc/86/57/28/491865728.db2.gz QGKVFGHEBLHYGE-PVAVHDDUSA-N 2 0 366.506 0.155 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000611650162 491865811 /nfs/dbraw/zinc/86/58/11/491865811.db2.gz QGKVFGHEBLHYGE-OIISXLGYSA-N 2 0 366.506 0.155 10 0 FCAERP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000612227630 491906407 /nfs/dbraw/zinc/90/64/07/491906407.db2.gz VSMZWTKXEVMDSF-GOSISDBHSA-N 2 0 373.501 0.620 10 0 FCAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000612485853 491925026 /nfs/dbraw/zinc/92/50/26/491925026.db2.gz NSEXZVBOEQLIPW-WBVHZDCISA-N 2 0 350.507 0.918 10 0 FCAERP CC[NH2+][C@H](C)CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612925039 491958588 /nfs/dbraw/zinc/95/85/88/491958588.db2.gz YPSCXINGKHIWJF-HUUCEWRRSA-N 2 0 363.510 0.706 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000617766753 492190784 /nfs/dbraw/zinc/19/07/84/492190784.db2.gz UINZWUZRLHGAFH-UHFFFAOYSA-N 2 0 362.522 0.447 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)CCC(C)(C)C(=O)N(C)CC1C[NH+](C)C1 ZINC000618192884 492214694 /nfs/dbraw/zinc/21/46/94/492214694.db2.gz BENYOAHUDMOWJK-UHFFFAOYSA-N 2 0 352.523 0.833 10 0 FCAERP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627440353 492296710 /nfs/dbraw/zinc/29/67/10/492296710.db2.gz IJPXNXPOBMVPSF-GDBMZVCRSA-N 2 0 364.490 0.099 10 0 FCAERP CO[C@](C)(CO)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000654413921 492299119 /nfs/dbraw/zinc/29/91/19/492299119.db2.gz GMFDQWVYNSEFTQ-SFHVURJKSA-N 2 0 365.478 0.290 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC2([NH3+])CCOCC2)o1 ZINC000627456007 492302787 /nfs/dbraw/zinc/30/27/87/492302787.db2.gz VFXDILLYDYIGHJ-UHFFFAOYSA-N 2 0 366.462 0.102 10 0 FCAERP CCn1ccnc1[C@H]1CCCCN1C(=O)C(=O)NCCOCC[NH2+]C ZINC000627462457 492305613 /nfs/dbraw/zinc/30/56/13/492305613.db2.gz UJVOGZVLGHZIHO-CQSZACIVSA-N 2 0 351.451 0.309 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654471940 492308673 /nfs/dbraw/zinc/30/86/73/492308673.db2.gz MHHDWRLQJWWCFO-DLBZAZTESA-N 2 0 354.495 0.336 10 0 FCAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647561327 492308631 /nfs/dbraw/zinc/30/86/31/492308631.db2.gz KNHUBBXGTFADQB-HOTGVXAUSA-N 2 0 366.506 0.108 10 0 FCAERP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000647565006 492311286 /nfs/dbraw/zinc/31/12/86/492311286.db2.gz VVDGRJWCOSDKKP-INIZCTEOSA-N 2 0 366.506 0.299 10 0 FCAERP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647564590 492311498 /nfs/dbraw/zinc/31/14/98/492311498.db2.gz AJYJDZFOIRCDEJ-UHFFFAOYSA-N 2 0 366.506 0.252 10 0 FCAERP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627474481 492313152 /nfs/dbraw/zinc/31/31/52/492313152.db2.gz PCBCOFAVYGZNDU-OAHLLOKOSA-N 2 0 368.522 0.450 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[NH2+]1 ZINC000627477297 492315067 /nfs/dbraw/zinc/31/50/67/492315067.db2.gz UPGRNMIGCLMMSE-CVEARBPZSA-N 2 0 366.506 0.347 10 0 FCAERP [NH3+]CCCOCCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000627488665 492319953 /nfs/dbraw/zinc/31/99/53/492319953.db2.gz FIENTROZYWEQMT-ZWKOTPCHSA-N 2 0 374.485 0.201 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000627498115 492323892 /nfs/dbraw/zinc/32/38/92/492323892.db2.gz JIOXIIYLONEELJ-XJKSGUPXSA-N 2 0 350.438 0.583 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000627502451 492325381 /nfs/dbraw/zinc/32/53/81/492325381.db2.gz XNENLUWYCZEWFI-XJKSGUPXSA-N 2 0 350.438 0.583 10 0 FCAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000647595141 492330833 /nfs/dbraw/zinc/33/08/33/492330833.db2.gz PJLISFHYKBALPC-LZLYRXPVSA-N 2 0 356.470 0.814 10 0 FCAERP CC[C@@H]1CN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC[C@@H]1[NH3+] ZINC000642104443 492335295 /nfs/dbraw/zinc/33/52/95/492335295.db2.gz SVLAHKBUYNPMKE-KURKYZTESA-N 2 0 360.502 0.861 10 0 FCAERP C[C@H](C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)N1CCN(C)CC1 ZINC000620915346 492344569 /nfs/dbraw/zinc/34/45/69/492344569.db2.gz ISKJWWMTLDDKCP-SJORKVTESA-N 2 0 352.523 0.724 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)ccc1F ZINC000642265445 492346749 /nfs/dbraw/zinc/34/67/49/492346749.db2.gz QWEDJJBGEVRKGN-OAHLLOKOSA-N 2 0 350.438 0.762 10 0 FCAERP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000634701581 492360261 /nfs/dbraw/zinc/36/02/61/492360261.db2.gz RSSAVPJHDJUJIS-KRWDZBQOSA-N 2 0 364.490 0.216 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000634724744 492364174 /nfs/dbraw/zinc/36/41/74/492364174.db2.gz WVRFLCXHENHLDE-HMXCVIKNSA-N 3 0 360.546 0.952 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000634724529 492364352 /nfs/dbraw/zinc/36/43/52/492364352.db2.gz SCVNDISVHPLXOZ-HZPDHXFCSA-N 2 0 361.408 0.937 10 0 FCAERP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000642693852 492374582 /nfs/dbraw/zinc/37/45/82/492374582.db2.gz GHZNEBVSQRYUKG-IBGZPJMESA-N 2 0 350.507 0.969 10 0 FCAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642920113 492404523 /nfs/dbraw/zinc/40/45/23/492404523.db2.gz ZAZYJODJCXAMBC-INIZCTEOSA-N 2 0 358.486 0.978 10 0 FCAERP CC1(OCC(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C[NH2+]C1 ZINC000648179169 492412559 /nfs/dbraw/zinc/41/25/59/492412559.db2.gz LZLZRQTUTDWRLT-UHFFFAOYSA-N 2 0 361.490 0.961 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622028911 492443713 /nfs/dbraw/zinc/44/37/13/492443713.db2.gz XPYOBOOTNKZLMP-IFXJQAMLSA-N 2 0 373.457 0.079 10 0 FCAERP CC(C)C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)C(=O)NCC[NH+](C)C ZINC000655750070 492479385 /nfs/dbraw/zinc/47/93/85/492479385.db2.gz ZLZMNAVLKMQXDJ-ROUUACIJSA-N 2 0 354.539 0.922 10 0 FCAERP CC(C)C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)C(=O)NCC[NH+](C)C ZINC000655750069 492479555 /nfs/dbraw/zinc/47/95/55/492479555.db2.gz ZLZMNAVLKMQXDJ-MSOLQXFVSA-N 2 0 354.539 0.922 10 0 FCAERP CCN(CC)C(=O)CN1CCCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655911327 492486801 /nfs/dbraw/zinc/48/68/01/492486801.db2.gz CWBABKGXNKJZDB-GFCCVEGCSA-N 2 0 367.416 0.462 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655919351 492488380 /nfs/dbraw/zinc/48/83/80/492488380.db2.gz PVMQUASUMFWWEO-OLZOCXBDSA-N 3 0 353.433 0.934 10 0 FCAERP CN1CC[NH+](CC2(C)CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)CC1 ZINC000655924008 492489840 /nfs/dbraw/zinc/48/98/40/492489840.db2.gz DDSJAXGGSDIZMM-CYBMUJFWSA-N 2 0 365.444 0.935 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000643527778 492491297 /nfs/dbraw/zinc/49/12/97/492491297.db2.gz SGTATXBLAMRSDI-UHFFFAOYSA-N 2 0 361.446 0.079 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000649076094 492492318 /nfs/dbraw/zinc/49/23/18/492492318.db2.gz PWPHKEYSJKKZQF-UZLBHIALSA-N 2 0 374.485 0.202 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccccc1OCC[NH+](C)C ZINC000649077700 492493436 /nfs/dbraw/zinc/49/34/36/492493436.db2.gz YCGNNUCIQMBCIR-HNNXBMFYSA-N 2 0 362.474 0.819 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655959060 492497537 /nfs/dbraw/zinc/49/75/37/492497537.db2.gz NPLUPKJEUFKRPK-LBPRGKRZSA-N 2 0 362.352 0.571 10 0 FCAERP C[C@@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655970921 492500073 /nfs/dbraw/zinc/50/00/73/492500073.db2.gz NAMUAABKWVYCLR-NXOAAHMSSA-N 2 0 353.511 0.173 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023809 492519815 /nfs/dbraw/zinc/51/98/15/492519815.db2.gz FSHDHVCBUCJWGS-TTZDDIAXSA-N 2 0 354.495 0.234 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000656064475 492526985 /nfs/dbraw/zinc/52/69/85/492526985.db2.gz QVLMVDIECFJIIE-CALCHBBNSA-N 2 0 366.506 0.014 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000656067091 492529591 /nfs/dbraw/zinc/52/95/91/492529591.db2.gz MSWSZMOLHYKWED-ZACQAIPSSA-N 2 0 350.507 0.920 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656080403 492540768 /nfs/dbraw/zinc/54/07/68/492540768.db2.gz VNJBVOMSGKIWSY-IXDOHACOSA-N 2 0 368.522 0.402 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656085029 492546701 /nfs/dbraw/zinc/54/67/01/492546701.db2.gz VHDPLPDBUYLOSK-HRCADAONSA-N 2 0 368.522 0.543 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656296788 492574696 /nfs/dbraw/zinc/57/46/96/492574696.db2.gz OGSWQTOGHGRTFP-IRXDYDNUSA-N 2 0 366.506 0.348 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656296786 492574949 /nfs/dbraw/zinc/57/49/49/492574949.db2.gz OGSWQTOGHGRTFP-DLBZAZTESA-N 2 0 366.506 0.348 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656309740 492584547 /nfs/dbraw/zinc/58/45/47/492584547.db2.gz UIGKWCPZDCFQLU-ZACQAIPSSA-N 2 0 366.506 0.347 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)CC[NH+]2CCCCC2)C1 ZINC000649886523 492594449 /nfs/dbraw/zinc/59/44/49/492594449.db2.gz FYUCEXGJBLDYSW-GOSISDBHSA-N 2 0 354.539 0.877 10 0 FCAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000629528596 492639012 /nfs/dbraw/zinc/63/90/12/492639012.db2.gz DLZRYPGRRGXQMJ-HNNXBMFYSA-N 2 0 371.503 0.594 10 0 FCAERP C[NH2+]CCOCC[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000629529415 492639054 /nfs/dbraw/zinc/63/90/54/492639054.db2.gz CBXOVBHXCCQIHO-UHFFFAOYSA-N 2 0 371.503 0.674 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000629804931 492681209 /nfs/dbraw/zinc/68/12/09/492681209.db2.gz NGPHBCPUBKYINW-HZPDHXFCSA-N 2 0 366.506 0.299 10 0 FCAERP C[C@@H](CCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+]1CCCCC1 ZINC000651026758 492696086 /nfs/dbraw/zinc/69/60/86/492696086.db2.gz KBBDJUKGCDTHEH-INIZCTEOSA-N 2 0 353.511 0.666 10 0 FCAERP CNc1cnc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000624950998 492701926 /nfs/dbraw/zinc/70/19/26/492701926.db2.gz JSIMDDAASVPTFJ-UHFFFAOYSA-N 2 0 355.446 0.855 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1=O ZINC000651073098 492704266 /nfs/dbraw/zinc/70/42/66/492704266.db2.gz SNWPJJJAKMALDR-UHFFFAOYSA-N 2 0 351.495 0.419 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000657573569 492762118 /nfs/dbraw/zinc/76/21/18/492762118.db2.gz QHLJDSAFEIMDNJ-ZDUSSCGKSA-N 2 0 360.499 0.835 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000625384268 492770748 /nfs/dbraw/zinc/77/07/48/492770748.db2.gz VQJOGYWLQWXEEQ-UHFFFAOYSA-N 2 0 368.522 0.500 10 0 FCAERP C[C@@H]1[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC(=O)N1Cc1ccccc1 ZINC000644639446 492794213 /nfs/dbraw/zinc/79/42/13/492794213.db2.gz YNJVKCRTMOQGBT-BHIYHBOVSA-N 2 0 360.502 0.374 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000631481589 492820456 /nfs/dbraw/zinc/82/04/56/492820456.db2.gz RGGFWYJMHNCUDE-LSDHHAIUSA-N 2 0 350.467 0.230 10 0 FCAERP C[C@H]([NH2+][C@H]1CCNC1=O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000658054200 492834033 /nfs/dbraw/zinc/83/40/33/492834033.db2.gz OPLCAZOONPQDNX-BBRMVZONSA-N 2 0 368.503 0.456 10 0 FCAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625746372 492877105 /nfs/dbraw/zinc/87/71/05/492877105.db2.gz HZZNIXWSBQIJBI-MRXNPFEDSA-N 2 0 366.506 0.252 10 0 FCAERP C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631913982 492880419 /nfs/dbraw/zinc/88/04/19/492880419.db2.gz KZIGONVJOZQISX-HNNXBMFYSA-N 2 0 359.467 0.508 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000631917543 492882986 /nfs/dbraw/zinc/88/29/86/492882986.db2.gz RCSLTADGBNCYMK-OAHLLOKOSA-N 2 0 373.544 0.868 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631952770 492897138 /nfs/dbraw/zinc/89/71/38/492897138.db2.gz SFEQMTIKXPWYFV-UHFFFAOYSA-N 2 0 374.551 0.382 10 0 FCAERP Cc1ccc(C[N@@H+]2CC[C@H](NS(=O)(=O)C[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000631981981 492902834 /nfs/dbraw/zinc/90/28/34/492902834.db2.gz LJRXPFFOWXIRNQ-DLBZAZTESA-N 2 0 353.488 0.477 10 0 FCAERP CC(C)C[C@H](NC(=O)NCCC1CC[NH2+]CC1)C(=O)NCC[NH+](C)C ZINC000652317498 492910005 /nfs/dbraw/zinc/91/00/05/492910005.db2.gz SWCVRKNFWYOGHU-INIZCTEOSA-N 2 0 355.527 0.768 10 0 FCAERP C[NH+]1CCN(CCNC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000638137689 492915698 /nfs/dbraw/zinc/91/56/98/492915698.db2.gz YYJFLTNITNIBFT-UHFFFAOYSA-N 2 0 373.545 0.734 10 0 FCAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)NCCCN2CCCC2=O)C1 ZINC000652360362 492915821 /nfs/dbraw/zinc/91/58/21/492915821.db2.gz GBUHKYMNKGZCGX-BRWVUGGUSA-N 2 0 366.506 0.476 10 0 FCAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)NCCCN2CCCC2=O)C1 ZINC000652360365 492915976 /nfs/dbraw/zinc/91/59/76/492915976.db2.gz GBUHKYMNKGZCGX-ZACQAIPSSA-N 2 0 366.506 0.476 10 0 FCAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC2C[NH+](C)C2)c1 ZINC000658539774 492937728 /nfs/dbraw/zinc/93/77/28/492937728.db2.gz HEBIEWAPRPUQJO-UHFFFAOYSA-N 2 0 360.502 0.905 10 0 FCAERP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000632231878 492954877 /nfs/dbraw/zinc/95/48/77/492954877.db2.gz GIICAHLWLXYPGX-INIZCTEOSA-N 2 0 372.535 0.037 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C[C@H]1C[NH3+] ZINC000652636378 492974734 /nfs/dbraw/zinc/97/47/34/492974734.db2.gz HALSKCXXXIYMFU-NVXWUHKLSA-N 2 0 362.474 0.817 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658612385 492980125 /nfs/dbraw/zinc/98/01/25/492980125.db2.gz HEWCKDNFMJAMGD-BRWVUGGUSA-N 2 0 368.522 0.354 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000658618341 492981955 /nfs/dbraw/zinc/98/19/55/492981955.db2.gz XVQYQYPLPWIWNU-HOTGVXAUSA-N 2 0 350.507 0.920 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000652684135 492989560 /nfs/dbraw/zinc/98/95/60/492989560.db2.gz GCPWBYWJOZUOFG-KRWDZBQOSA-N 2 0 362.474 0.249 10 0 FCAERP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)C2)CC1 ZINC000645977769 492994698 /nfs/dbraw/zinc/99/46/98/492994698.db2.gz LIRCUWODYQETTJ-ZBFHGGJFSA-N 2 0 361.494 0.101 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000652704091 492995479 /nfs/dbraw/zinc/99/54/79/492995479.db2.gz FOJJTXZBVQVQGQ-UHFFFAOYSA-N 2 0 354.495 0.202 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000652730148 493008323 /nfs/dbraw/zinc/00/83/23/493008323.db2.gz JIRWBVXSMITHPL-IAGOWNOFSA-N 2 0 368.522 0.389 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000652731815 493009975 /nfs/dbraw/zinc/00/99/75/493009975.db2.gz VMGJHNLVNFTVIQ-MRXNPFEDSA-N 2 0 354.495 0.202 10 0 FCAERP CCN(C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658803356 493061516 /nfs/dbraw/zinc/06/15/16/493061516.db2.gz SIJLAANEQVOIFX-QGZVFWFLSA-N 2 0 366.506 0.110 10 0 FCAERP CN1CCC(CNC(=O)NCC2([NH3+])CCOCC2)([NH+]2CCCCC2)CC1 ZINC000626988322 493075648 /nfs/dbraw/zinc/07/56/48/493075648.db2.gz GOFINLYQCOQFHU-UHFFFAOYSA-N 2 0 367.538 0.744 10 0 FCAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626997533 493077708 /nfs/dbraw/zinc/07/77/08/493077708.db2.gz AFLDARPDLORNPE-MRXNPFEDSA-N 2 0 366.510 0.213 10 0 FCAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626997532 493077839 /nfs/dbraw/zinc/07/78/39/493077839.db2.gz AFLDARPDLORNPE-INIZCTEOSA-N 2 0 366.510 0.213 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C2 ZINC000627091216 493086569 /nfs/dbraw/zinc/08/65/69/493086569.db2.gz KRNDLJYDIPXMKY-AEGPPILISA-N 2 0 363.428 0.464 10 0 FCAERP CCO[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H]1C[NH3+] ZINC000653247200 493086760 /nfs/dbraw/zinc/08/67/60/493086760.db2.gz QBNJPOVZEZZLME-RTBURBONSA-N 2 0 360.502 0.870 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627107646 493088346 /nfs/dbraw/zinc/08/83/46/493088346.db2.gz ACFSTMQFRJGSDI-UHFFFAOYSA-N 2 0 368.526 0.317 10 0 FCAERP CN(CCOCC[NH3+])C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000627117904 493090569 /nfs/dbraw/zinc/09/05/69/493090569.db2.gz LVFZMWBRRLDCMK-SFHVURJKSA-N 2 0 363.506 0.419 10 0 FCAERP CN1CC[NH+](CC2(C)CCN(C(=O)NCC3([NH3+])CCOCC3)CC2)CC1 ZINC000627150081 493096024 /nfs/dbraw/zinc/09/60/24/493096024.db2.gz CFIDMLKSAGGKIY-UHFFFAOYSA-N 2 0 367.538 0.553 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000627159618 493097812 /nfs/dbraw/zinc/09/78/12/493097812.db2.gz SOGUVUQWKMZMNQ-JONQDZQNSA-N 2 0 351.495 0.417 10 0 FCAERP C[NH2+]CCOCCNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000627174987 493100605 /nfs/dbraw/zinc/10/06/05/493100605.db2.gz QYTRDPJEZQUQGR-UHFFFAOYSA-N 2 0 355.527 0.422 10 0 FCAERP C[NH2+]CCOCCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000627173816 493101022 /nfs/dbraw/zinc/10/10/22/493101022.db2.gz GKAOYXNVBFSVCE-MSOLQXFVSA-N 2 0 364.490 0.405 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C[NH2+]1 ZINC000627205583 493107026 /nfs/dbraw/zinc/10/70/26/493107026.db2.gz CBPSCTQPJCBERP-FXUDXRNXSA-N 2 0 351.495 0.417 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCO1 ZINC000658927643 493111990 /nfs/dbraw/zinc/11/19/90/493111990.db2.gz VBNFQRQUTHJUHW-OWCLPIDISA-N 2 0 354.495 0.012 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C[C@H]1C[NH3+] ZINC000633078809 493116819 /nfs/dbraw/zinc/11/68/19/493116819.db2.gz NJPDLLQTLQGZNZ-GDBMZVCRSA-N 2 0 364.465 0.769 10 0 FCAERP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633094650 493122304 /nfs/dbraw/zinc/12/23/04/493122304.db2.gz LLWFVBNCONPNEJ-CVEARBPZSA-N 2 0 366.506 0.428 10 0 FCAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 ZINC000633096746 493123131 /nfs/dbraw/zinc/12/31/31/493123131.db2.gz AMMAIUXWFZGXKQ-IAGOWNOFSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@@H](CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)CC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000646918153 493126817 /nfs/dbraw/zinc/12/68/17/493126817.db2.gz OEWLUHMIHQQTDF-PECIQYQJSA-N 2 0 362.518 0.728 10 0 FCAERP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCCC1 ZINC000627291401 493135937 /nfs/dbraw/zinc/13/59/37/493135937.db2.gz SSOQXBCPITXYEQ-USXIJHARSA-N 2 0 374.485 0.815 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000627292296 493136990 /nfs/dbraw/zinc/13/69/90/493136990.db2.gz QPXCICRFVMUZEX-IRXDYDNUSA-N 2 0 358.486 0.676 10 0 FCAERP O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659071529 493138468 /nfs/dbraw/zinc/13/84/68/493138468.db2.gz NYQSNZHQNONKMH-QGZVFWFLSA-N 2 0 360.458 0.888 10 0 FCAERP CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659071306 493138670 /nfs/dbraw/zinc/13/86/70/493138670.db2.gz JTQUHRFVZQXSRE-KRWDZBQOSA-N 2 0 360.458 0.887 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659076252 493141137 /nfs/dbraw/zinc/14/11/37/493141137.db2.gz KMPOZKMUYTUFBH-JEBQAFNWSA-N 2 0 372.469 0.885 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[NH2+]1 ZINC000627305035 493143180 /nfs/dbraw/zinc/14/31/80/493143180.db2.gz MHRNVHOIJBAWSD-DOMZBBRYSA-N 2 0 350.438 0.760 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C[NH2+]1 ZINC000627306193 493144014 /nfs/dbraw/zinc/14/40/14/493144014.db2.gz RYGGHZKQKDDMPN-BSWAZPDLSA-N 2 0 366.506 0.127 10 0 FCAERP CCN1CCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)[C@@H](C)C1 ZINC000659083409 493144911 /nfs/dbraw/zinc/14/49/11/493144911.db2.gz MHROCIMQDQKBCG-WMLDXEAASA-N 2 0 360.458 0.839 10 0 FCAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627311912 493145951 /nfs/dbraw/zinc/14/59/51/493145951.db2.gz KOEZZLDZWLDZOK-DOTOQJQBSA-N 2 0 362.474 0.420 10 0 FCAERP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000659106826 493155828 /nfs/dbraw/zinc/15/58/28/493155828.db2.gz XWACVFCMKYNGQD-UHFFFAOYSA-N 2 0 360.458 0.824 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[NH2+]1 ZINC000627332484 493157934 /nfs/dbraw/zinc/15/79/34/493157934.db2.gz AZDGETKTEUVBMM-NEWSRXKRSA-N 2 0 372.513 0.924 10 0 FCAERP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000659113361 493160150 /nfs/dbraw/zinc/16/01/50/493160150.db2.gz FDZATBIEBZJNAY-KRWDZBQOSA-N 2 0 362.474 0.961 10 0 FCAERP CC(C)[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)N1CC[NH+](C)CC1 ZINC000647170553 493173973 /nfs/dbraw/zinc/17/39/73/493173973.db2.gz DQJNNMPVWNTVGW-QGZVFWFLSA-N 2 0 372.510 0.835 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C[NH2+]1 ZINC000627357322 493175022 /nfs/dbraw/zinc/17/50/22/493175022.db2.gz CNZWYCAGLOYLMQ-WQVCFCJDSA-N 2 0 350.438 0.801 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672442841 493177573 /nfs/dbraw/zinc/17/75/73/493177573.db2.gz XROCBCLIQBPOND-CQSZACIVSA-N 2 0 354.495 0.202 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627366723 493181633 /nfs/dbraw/zinc/18/16/33/493181633.db2.gz ZUXHAFOUGXQVRE-OKZBNKHCSA-N 2 0 358.486 0.881 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[NH2+]1 ZINC000627385442 493193322 /nfs/dbraw/zinc/19/33/22/493193322.db2.gz LDIYOLLCXMUJSS-LSDHHAIUSA-N 2 0 352.479 0.004 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000627384983 493193896 /nfs/dbraw/zinc/19/38/96/493193896.db2.gz VXDPRWDRYHZNKC-LSDHHAIUSA-N 2 0 368.547 0.721 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000627425718 493214131 /nfs/dbraw/zinc/21/41/31/493214131.db2.gz XXWSLGKSQZXWAJ-BYNSBNAKSA-N 2 0 352.479 0.001 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCO[C@H](C[NH3+])C2)cc1F ZINC000659598454 493218630 /nfs/dbraw/zinc/21/86/30/493218630.db2.gz PUEQPFQXHVPQHZ-YCPHGPKFSA-N 2 0 366.437 0.649 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000659619949 493221843 /nfs/dbraw/zinc/22/18/43/493221843.db2.gz WLMPMJVKUBIDJO-ARFHVFGLSA-N 2 0 353.511 0.650 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000672647844 493227565 /nfs/dbraw/zinc/22/75/65/493227565.db2.gz BANLFSSLDBMASI-ZACQAIPSSA-N 2 0 368.522 0.450 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)[NH+](C)C)c1 ZINC000659673674 493244351 /nfs/dbraw/zinc/24/43/51/493244351.db2.gz FKNKFMMLKPOJDH-SJORKVTESA-N 2 0 364.490 0.904 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[NH+](C)C)c1 ZINC000659674194 493244572 /nfs/dbraw/zinc/24/45/72/493244572.db2.gz LFGDMYHDZITVEP-OAGGEKHMSA-N 2 0 366.437 0.312 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[NH+](C)C)c1 ZINC000659674676 493245217 /nfs/dbraw/zinc/24/52/17/493245217.db2.gz NVQSGLZGGYQQIL-LWGFOQHQSA-N 2 0 360.458 0.364 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)ccc1F ZINC000659678869 493247497 /nfs/dbraw/zinc/24/74/97/493247497.db2.gz PITPZZHKQMYBFQ-UHFFFAOYSA-N 2 0 350.438 0.891 10 0 FCAERP C[N@H+](CCCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)Cc1ccccc1 ZINC000659681992 493249027 /nfs/dbraw/zinc/24/90/27/493249027.db2.gz RPOGJPVCSFUESI-HZPDHXFCSA-N 2 0 350.438 0.522 10 0 FCAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659682004 493249080 /nfs/dbraw/zinc/24/90/80/493249080.db2.gz DNIUVLKAPGPJJE-RDFYBTABSA-N 2 0 356.470 0.806 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000659686466 493252871 /nfs/dbraw/zinc/25/28/71/493252871.db2.gz ZKYABBLPQMJTKH-UHFFFAOYSA-N 2 0 370.497 0.965 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000659690305 493255324 /nfs/dbraw/zinc/25/53/24/493255324.db2.gz RADXIOUPQCUIDH-UHFFFAOYSA-N 2 0 374.460 0.856 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659695341 493258073 /nfs/dbraw/zinc/25/80/73/493258073.db2.gz YUBPVAYEFOVUQB-JJXOGSGTSA-N 2 0 370.497 0.963 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC000659699651 493260137 /nfs/dbraw/zinc/26/01/37/493260137.db2.gz RHWVNPQHNHEYBV-GVDBMIGSSA-N 2 0 362.449 0.522 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659700548 493261257 /nfs/dbraw/zinc/26/12/57/493261257.db2.gz NNLNOCKRYJZKCM-IKNQFMJRSA-N 2 0 356.470 0.573 10 0 FCAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659702003 493262741 /nfs/dbraw/zinc/26/27/41/493262741.db2.gz KPKBWXDQFFCYCL-KSZLIROESA-N 2 0 362.518 0.968 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000659706159 493264313 /nfs/dbraw/zinc/26/43/13/493264313.db2.gz FDZNGSHNVSUWPS-DSRNLFJRSA-N 2 0 356.470 0.634 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000672901461 493264457 /nfs/dbraw/zinc/26/44/57/493264457.db2.gz QMHRRYNYCPYQEV-QZTJIDSGSA-N 2 0 352.523 0.774 10 0 FCAERP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000659713194 493267859 /nfs/dbraw/zinc/26/78/59/493267859.db2.gz CNYGXGUAIKLQQJ-SFHVURJKSA-N 2 0 373.501 0.668 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000659726170 493273848 /nfs/dbraw/zinc/27/38/48/493273848.db2.gz APZWQHLXGNDWPW-UHFFFAOYSA-N 2 0 373.501 0.655 10 0 FCAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000682182890 493275954 /nfs/dbraw/zinc/27/59/54/493275954.db2.gz LWYFZTVPNHVIIA-CQSZACIVSA-N 2 0 364.494 0.572 10 0 FCAERP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000659740065 493280267 /nfs/dbraw/zinc/28/02/67/493280267.db2.gz KBNZYALZKPRUDB-MSOLQXFVSA-N 2 0 370.497 0.965 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCC1CS(=O)(=O)C1 ZINC000682480450 493302832 /nfs/dbraw/zinc/30/28/32/493302832.db2.gz BUPMSOOQOJYJAD-MRXNPFEDSA-N 2 0 374.551 0.479 10 0 FCAERP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000673269550 493309618 /nfs/dbraw/zinc/30/96/18/493309618.db2.gz VPMBYCJFXNAYRH-INIZCTEOSA-N 2 0 359.474 0.625 10 0 FCAERP CC1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000668012433 493313766 /nfs/dbraw/zinc/31/37/66/493313766.db2.gz BFKOZVBOMTZWII-BDXSIMOUSA-N 2 0 364.534 0.974 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000668512068 493367999 /nfs/dbraw/zinc/36/79/99/493367999.db2.gz NJOYQRMLMJGZHW-OAHLLOKOSA-N 2 0 354.495 0.204 10 0 FCAERP COCC1([NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCOCC1 ZINC000660632063 493368253 /nfs/dbraw/zinc/36/82/53/493368253.db2.gz SQIPWJDGRKYUTJ-MRXNPFEDSA-N 2 0 357.495 0.245 10 0 FCAERP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCSC1 ZINC000668527466 493371095 /nfs/dbraw/zinc/37/10/95/493371095.db2.gz WFPKJOHWYOZAJB-SUMWQHHRSA-N 2 0 356.536 0.529 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C[NH+]1CCCC1 ZINC000668581978 493378582 /nfs/dbraw/zinc/37/85/82/493378582.db2.gz OYZRHGPFWDPFTD-IRXDYDNUSA-N 2 0 368.522 0.404 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000668585181 493380422 /nfs/dbraw/zinc/38/04/22/493380422.db2.gz JBXHRIGGTZBWJX-BRWVUGGUSA-N 2 0 366.506 0.299 10 0 FCAERP CC[N@@H+]1CCCN(CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000660797669 493380599 /nfs/dbraw/zinc/38/05/99/493380599.db2.gz ZZWGBTMAVDURSQ-ROUUACIJSA-N 2 0 354.539 0.876 10 0 FCAERP CC1[C@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)[C@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000668742016 493404424 /nfs/dbraw/zinc/40/44/24/493404424.db2.gz DZLXKXGQCNLFCK-BDXSIMOUSA-N 2 0 364.534 0.689 10 0 FCAERP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668777027 493409138 /nfs/dbraw/zinc/40/91/38/493409138.db2.gz LRYMYNIOECOOIU-JKSUJKDBSA-N 2 0 356.511 0.402 10 0 FCAERP c1cn(C[C@H]2CC[NH+](CCCC[N@@H+]3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661146500 493412674 /nfs/dbraw/zinc/41/26/74/493412674.db2.gz UCLKNZIQXATEOJ-ROUUACIJSA-N 2 0 358.494 0.994 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000668830506 493417373 /nfs/dbraw/zinc/41/73/73/493417373.db2.gz DNTKDFICKDXLCR-QGZVFWFLSA-N 2 0 368.522 0.546 10 0 FCAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668934405 493440304 /nfs/dbraw/zinc/44/03/04/493440304.db2.gz NAWHHBACVRUWEX-IAGOWNOFSA-N 2 0 368.522 0.546 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@]3(C)COC[C@]3(C)C2)C1 ZINC000661501311 493443713 /nfs/dbraw/zinc/44/37/13/493443713.db2.gz WGHWEWURAAIROK-YTQUADARSA-N 2 0 353.507 0.818 10 0 FCAERP CCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000669250357 493482537 /nfs/dbraw/zinc/48/25/37/493482537.db2.gz JKIMVYJTXMYHAQ-IRXDYDNUSA-N 2 0 368.522 0.546 10 0 FCAERP O=C1[C@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000662297260 493504873 /nfs/dbraw/zinc/50/48/73/493504873.db2.gz DJPWAXZTUKAQLB-YESZJQIVSA-N 2 0 355.438 0.624 10 0 FCAERP CC12CC(C1)C[NH+]2CC(=O)N1CCN(C(=O)C[N@H+]2CC3CC2(C)C3)CC1 ZINC000662379596 493511305 /nfs/dbraw/zinc/51/13/05/493511305.db2.gz FFZLSGIXHKTRPI-UHFFFAOYSA-N 2 0 360.502 0.626 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662437162 493515154 /nfs/dbraw/zinc/51/51/54/493515154.db2.gz NAJKNZZDTXYKLN-HIFRSBDPSA-N 2 0 362.478 0.159 10 0 FCAERP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676094031 493523638 /nfs/dbraw/zinc/52/36/38/493523638.db2.gz ZNFXTPBDBMZAKC-AWEZNQCLSA-N 2 0 350.467 0.231 10 0 FCAERP Cc1c(C(=O)NCCN(C)CCC[NH+](C)C)nnn1C1CC[NH2+]CC1 ZINC000662636473 493529228 /nfs/dbraw/zinc/52/92/28/493529228.db2.gz YTMJZUAGGPVKQK-UHFFFAOYSA-N 2 0 351.499 0.124 10 0 FCAERP C[C@H]1C[NH+](CCCCNC(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000662690282 493532002 /nfs/dbraw/zinc/53/20/02/493532002.db2.gz ZIIRHSLHHXSYGE-GJZGRUSLSA-N 2 0 364.494 0.822 10 0 FCAERP [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000662730358 493535606 /nfs/dbraw/zinc/53/56/06/493535606.db2.gz DWAFHNLLYZFIDT-IAGOWNOFSA-N 2 0 360.458 0.815 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662788599 493541975 /nfs/dbraw/zinc/54/19/75/493541975.db2.gz MTXSWMAHXQOAEO-HZPDHXFCSA-N 2 0 364.494 0.776 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662938139 493556825 /nfs/dbraw/zinc/55/68/25/493556825.db2.gz LIEVRSBWCGDREB-GNZRSQJKSA-N 2 0 356.470 0.669 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[C@H]1F ZINC000662943893 493557962 /nfs/dbraw/zinc/55/79/62/493557962.db2.gz DHDQTQVZZWUXAK-MIGQKNRLSA-N 2 0 352.454 0.359 10 0 FCAERP CCCN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC000662949703 493559627 /nfs/dbraw/zinc/55/96/27/493559627.db2.gz WKISSFPFEAJWGG-JKSUJKDBSA-N 2 0 354.495 0.156 10 0 FCAERP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[NH2+]1 ZINC000662955945 493560668 /nfs/dbraw/zinc/56/06/68/493560668.db2.gz KWJFPFBGWYHKLV-JKSUJKDBSA-N 2 0 354.495 0.012 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CCO1 ZINC000662972043 493562440 /nfs/dbraw/zinc/56/24/40/493562440.db2.gz HLAGTCYNUBZLCX-CVEARBPZSA-N 2 0 364.494 0.776 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)[C@H](C[NH3+])C1 ZINC000662980147 493563553 /nfs/dbraw/zinc/56/35/53/493563553.db2.gz DPJQBHWKIZSANI-PMPSAXMXSA-N 2 0 354.495 0.141 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000663309275 493583804 /nfs/dbraw/zinc/58/38/04/493583804.db2.gz NAUJIULCSGEOGN-LLVKDONJSA-N 2 0 371.429 0.572 10 0 FCAERP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C[C@H](C)O1 ZINC000663550663 493596541 /nfs/dbraw/zinc/59/65/41/493596541.db2.gz CYYNOULJOPMYIH-SOLBZPMBSA-N 2 0 368.522 0.726 10 0 FCAERP C[C@@H]1C[NH+](CCCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C[C@@H](C)O1 ZINC000663550662 493596641 /nfs/dbraw/zinc/59/66/41/493596641.db2.gz CYYNOULJOPMYIH-NUJGCVRESA-N 2 0 368.522 0.726 10 0 FCAERP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000670885285 493609002 /nfs/dbraw/zinc/60/90/02/493609002.db2.gz NPKALCBWDZSIBX-MRXNPFEDSA-N 2 0 362.474 0.454 10 0 FCAERP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000670991019 493621698 /nfs/dbraw/zinc/62/16/98/493621698.db2.gz GWRYCMLNWBPKDS-SFHVURJKSA-N 2 0 358.486 0.761 10 0 FCAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664026480 493631363 /nfs/dbraw/zinc/63/13/63/493631363.db2.gz MKNQQDRMROPLHO-SJORKVTESA-N 2 0 355.527 0.375 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671099268 493632840 /nfs/dbraw/zinc/63/28/40/493632840.db2.gz BALIOHGVLNAQIX-DLBZAZTESA-N 2 0 350.507 0.968 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671106899 493635648 /nfs/dbraw/zinc/63/56/48/493635648.db2.gz DXVXHQMCISVJKG-SJJHQCBESA-N 2 0 350.507 0.966 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000664473010 493662027 /nfs/dbraw/zinc/66/20/27/493662027.db2.gz JMQDQCSVIPGXIP-ROUUACIJSA-N 3 0 369.554 0.547 10 0 FCAERP C[NH+](C)CCOCCNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000664732285 493680378 /nfs/dbraw/zinc/68/03/78/493680378.db2.gz TYFDQGGECSSMFQ-SFHVURJKSA-N 2 0 364.490 0.631 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000419505840 535329663 /nfs/dbraw/zinc/32/96/63/535329663.db2.gz VYEBNCPGACOOGJ-DLBZAZTESA-N 2 0 370.538 0.972 10 0 FCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419596060 535502669 /nfs/dbraw/zinc/50/26/69/535502669.db2.gz XMIOKVDYIKVOTH-KRWDZBQOSA-N 2 0 361.490 0.668 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419786519 535666655 /nfs/dbraw/zinc/66/66/55/535666655.db2.gz VCQBJSWWCISULL-PVAVHDDUSA-N 2 0 368.522 0.578 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419911863 535856943 /nfs/dbraw/zinc/85/69/43/535856943.db2.gz KGIKRDDYRWYIEO-DLBZAZTESA-N 2 0 362.474 0.372 10 0 FCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419930158 535866840 /nfs/dbraw/zinc/86/68/40/535866840.db2.gz NSQLCEYFBUNTNE-KRWDZBQOSA-N 2 0 358.442 0.986 10 0 FCAERP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000419716479 535927047 /nfs/dbraw/zinc/92/70/47/535927047.db2.gz YIDJLUYBNCCSTN-HDICACEKSA-N 2 0 358.486 0.760 10 0 FCAERP C[N@@H+]1CCN(CCNC(=O)NC[C@@H]2CCCC[NH+]2CCO)CC1(C)C ZINC000458719868 546929170 /nfs/dbraw/zinc/92/91/70/546929170.db2.gz DUKRHHWIYHNQPT-INIZCTEOSA-N 2 0 355.527 0.158 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000550373070 547084028 /nfs/dbraw/zinc/08/40/28/547084028.db2.gz SWRFKHSLRKJYMJ-INIZCTEOSA-N 2 0 354.495 0.202 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)cc(F)c1F ZINC000551099611 547125998 /nfs/dbraw/zinc/12/59/98/547125998.db2.gz NAMHNOFTLCRAHC-UHFFFAOYSA-N 2 0 360.380 0.994 10 0 FCAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000552362380 547204379 /nfs/dbraw/zinc/20/43/79/547204379.db2.gz VIJHJMCEQBAXCJ-DOTOQJQBSA-N 2 0 350.507 0.918 10 0 FCAERP CC(C)[N@@H+]1CC[C@@H](C(=O)NCC[NH+](C)CCO)[C@H](c2cnn(C)c2)C1 ZINC000899741907 665960522 /nfs/dbraw/zinc/96/05/22/665960522.db2.gz VXPGMELJFAOMML-SJORKVTESA-N 2 0 351.495 0.274 10 0 FCAERP C[NH+](C)CCOc1ccc(C[NH+]2CCC(O)(COCCO)CC2)cc1 ZINC000895826891 665060520 /nfs/dbraw/zinc/06/05/20/665060520.db2.gz BYXUEYAEOFNJRR-UHFFFAOYSA-N 2 0 352.475 0.963 10 0 FCAERP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000905363889 666021830 /nfs/dbraw/zinc/02/18/30/666021830.db2.gz ZEXMIWKHVSRBEF-CALCHBBNSA-N 2 0 356.536 0.216 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(N)nc1 ZINC000914030639 666685167 /nfs/dbraw/zinc/68/51/67/666685167.db2.gz CAVOYVKRDTZADZ-CYBMUJFWSA-N 2 0 356.496 0.095 10 0 FCAERP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000916843891 667033327 /nfs/dbraw/zinc/03/33/27/667033327.db2.gz XTVXIGHFOPXKRH-LVQVYYBASA-N 2 0 354.520 0.729 10 0 FCAERP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000917005814 667044232 /nfs/dbraw/zinc/04/42/32/667044232.db2.gz BUBPKKHCLGMIFB-QGZVFWFLSA-N 2 0 356.488 0.826 10 0 FCAERP C[N@H+]1C[C@]2(C)CN(S(=O)(=O)CCCN3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000918368187 667115525 /nfs/dbraw/zinc/11/55/25/667115525.db2.gz DXRABCQWHGCKGO-CALCHBBNSA-N 2 0 358.552 0.227 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CSCN1C(C)=O ZINC000505840245 667792270 /nfs/dbraw/zinc/79/22/70/667792270.db2.gz QSDZJZZDHYJFSY-HOTGVXAUSA-N 2 0 356.536 0.782 10 0 FCAERP FC(F)(F)COCCC[NH+]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923309640 667824693 /nfs/dbraw/zinc/82/46/93/667824693.db2.gz YCQKQYCIFNDDRD-AWEZNQCLSA-N 2 0 351.413 0.952 10 0 FCAERP CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)CCC1 ZINC000923369775 667828346 /nfs/dbraw/zinc/82/83/46/667828346.db2.gz MSUYWLPWACDKPU-KGLIPLIRSA-N 2 0 361.552 0.966 10 0 FCAERP CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CC[C@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000923359615 667828574 /nfs/dbraw/zinc/82/85/74/667828574.db2.gz SZPHVANSPDBWDK-RBSFLKMASA-N 2 0 359.536 0.672 10 0 FCAERP C[C@@H]1C[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923500671 667841705 /nfs/dbraw/zinc/84/17/05/667841705.db2.gz QLVWEFJNBWTGDX-KGLIPLIRSA-N 2 0 350.438 0.951 10 0 FCAERP CN(C[C@H](O)C[NH2+]C1CCN(CC[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000819390268 669001178 /nfs/dbraw/zinc/00/11/78/669001178.db2.gz SAOIHFVBEMIBGQ-MRXNPFEDSA-N 2 0 358.527 0.830 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000810319653 669671352 /nfs/dbraw/zinc/67/13/52/669671352.db2.gz JUJBKNHDCURKQS-KBXCAEBGSA-N 2 0 356.486 0.903 10 0 FCAERP COC(=O)[C@@H]1CN(CC[NH+]2CCCC2)[C@H](C)CN1CC[NH+]1CCCC1 ZINC000831883737 669872273 /nfs/dbraw/zinc/87/22/73/669872273.db2.gz CVUCPUZWRRUBFM-MSOLQXFVSA-N 2 0 352.523 0.726 10 0 FCAERP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841851363 670614980 /nfs/dbraw/zinc/61/49/80/670614980.db2.gz PIHBOHGEMLDDMK-STQMWFEESA-N 2 0 354.838 0.797 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000843091688 670774957 /nfs/dbraw/zinc/77/49/57/670774957.db2.gz AFTKEBALNMUQLM-BBRMVZONSA-N 2 0 372.307 0.680 10 0 FCAERP CC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@@H](O)c1c(F)cccc1F ZINC000843094803 670775004 /nfs/dbraw/zinc/77/50/04/670775004.db2.gz LFHCAMCWDSLCCV-QANKJYHBSA-N 2 0 357.445 0.975 10 0 FCAERP CN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1CCC([NH3+])CC1 ZINC000852918797 671532088 /nfs/dbraw/zinc/53/20/88/671532088.db2.gz INCVLLGUZVLVFZ-GPANFISMSA-N 2 0 354.495 0.284 10 0 FCAERP C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000903283923 675924370 /nfs/dbraw/zinc/92/43/70/675924370.db2.gz YEPOEAAZYRQUSC-LPHOPBHVSA-N 2 0 351.491 0.971 10 0 FCAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@](C)(O)C(=O)OC)C2)ccn1 ZINC000856584363 671691948 /nfs/dbraw/zinc/69/19/48/671691948.db2.gz IRVGNIKWCXFITG-SJLPKXTDSA-N 2 0 351.447 0.910 10 0 FCAERP C[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C[C@H]1CC[NH3+] ZINC000903496652 675933943 /nfs/dbraw/zinc/93/39/43/675933943.db2.gz XJQWBRAWAWIQAV-HUUCEWRRSA-N 2 0 364.515 0.949 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903513545 675936325 /nfs/dbraw/zinc/93/63/25/675936325.db2.gz CUPOPDDBWRBKNN-BFHYXJOUSA-N 2 0 366.428 0.281 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC[NH2+]1 ZINC000861642928 671977136 /nfs/dbraw/zinc/97/71/36/671977136.db2.gz LCEFBWPTUPNXSJ-OSRDXIQISA-N 2 0 351.451 0.094 10 0 FCAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903731057 675964703 /nfs/dbraw/zinc/96/47/03/675964703.db2.gz VKULJSIMIDMBOZ-CYZMBNFOSA-N 2 0 364.412 0.523 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[C@H]1CC[NH3+] ZINC000903734812 675965253 /nfs/dbraw/zinc/96/52/53/675965253.db2.gz BIUFACIZNGHWJI-HZPDHXFCSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903746953 675967011 /nfs/dbraw/zinc/96/70/11/675967011.db2.gz IGALLYKSMSOREG-IRCOFANPSA-N 2 0 350.385 0.133 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903754908 675968027 /nfs/dbraw/zinc/96/80/27/675968027.db2.gz UVFHRTZTOAYTPN-YNEHKIRRSA-N 2 0 364.412 0.525 10 0 FCAERP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903755594 675968261 /nfs/dbraw/zinc/96/82/61/675968261.db2.gz ADPGAFICZRNBPH-NEPJUHHUSA-N 2 0 352.401 0.523 10 0 FCAERP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@H]([NH3+])C3)C2)C1 ZINC000903787020 675973263 /nfs/dbraw/zinc/97/32/63/675973263.db2.gz HHURNJIPNBXYNR-ZOWXZIJZSA-N 2 0 362.396 0.279 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903762289 675969776 /nfs/dbraw/zinc/96/97/76/675969776.db2.gz XHRCGVXQPRKLPM-AGIUHOORSA-N 2 0 364.412 0.714 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903762291 675969834 /nfs/dbraw/zinc/96/98/34/675969834.db2.gz XHRCGVXQPRKLPM-JHJVBQTASA-N 2 0 364.412 0.714 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903763421 675969978 /nfs/dbraw/zinc/96/99/78/675969978.db2.gz RQLTXNCYNNFNOP-QJPTWQEYSA-N 2 0 350.385 0.276 10 0 FCAERP CC(C)OCCS(=O)(=O)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903899209 675981099 /nfs/dbraw/zinc/98/10/99/675981099.db2.gz QWDSAZTYVHZAFD-ALOPSCKCSA-N 2 0 359.536 0.889 10 0 FCAERP CNS(=O)(=O)c1ccc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1 ZINC000866012437 672259991 /nfs/dbraw/zinc/25/99/91/672259991.db2.gz CGBDIRYXUJPDBU-ZIAGYGMSSA-N 2 0 355.508 0.165 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000866334318 672268341 /nfs/dbraw/zinc/26/83/41/672268341.db2.gz UTABTTXFBILQHU-GUYCJALGSA-N 2 0 374.551 0.995 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000866747157 672296466 /nfs/dbraw/zinc/29/64/66/672296466.db2.gz KTYBJKWTIHGZJA-KRWDZBQOSA-N 2 0 359.536 0.939 10 0 FCAERP CCn1nc(C)c(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C ZINC000867588896 672343087 /nfs/dbraw/zinc/34/30/87/672343087.db2.gz IGAVXTYBDPBOHG-HZPDHXFCSA-N 2 0 371.551 0.880 10 0 FCAERP CC(C)n1cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000867589548 672343161 /nfs/dbraw/zinc/34/31/61/672343161.db2.gz QMTYPNNWBAOADZ-HUUCEWRRSA-N 2 0 357.524 0.824 10 0 FCAERP Cn1cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1Cl ZINC000867588964 672343230 /nfs/dbraw/zinc/34/32/30/672343230.db2.gz KRJLRNSGGXANMG-VXGBXAGGSA-N 2 0 363.915 0.433 10 0 FCAERP COC(=O)c1ccoc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867590370 672343694 /nfs/dbraw/zinc/34/36/94/672343694.db2.gz QPZPXGDFNRVTAS-CHWSQXEVSA-N 2 0 373.475 0.426 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000868370196 672396124 /nfs/dbraw/zinc/39/61/24/672396124.db2.gz MACSLCXRORSRLM-HNAYVOBHSA-N 2 0 350.507 0.905 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCC1(C)C ZINC000868403941 672398829 /nfs/dbraw/zinc/39/88/29/672398829.db2.gz BDJKGUQAVNMQKF-CVEARBPZSA-N 2 0 350.507 0.777 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@H]1C[NH+](C)C ZINC000870023594 672462072 /nfs/dbraw/zinc/46/20/72/672462072.db2.gz DVGFBPOTNBEKEB-CHWSQXEVSA-N 2 0 363.491 0.535 10 0 FCAERP C[C@H](CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC[NH2+]CC1 ZINC000870998867 672524998 /nfs/dbraw/zinc/52/49/98/672524998.db2.gz HWQVUZUYJGHYDR-MIGQKNRLSA-N 2 0 350.463 0.406 10 0 FCAERP C[C@H](CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@@H]1CCC[NH2+]C1 ZINC000871000107 672525721 /nfs/dbraw/zinc/52/57/21/672525721.db2.gz SENOWMLCGPANBT-QCODTGAPSA-N 2 0 350.463 0.406 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872188095 672597694 /nfs/dbraw/zinc/59/76/94/672597694.db2.gz OUAMLASHCZWILM-VXGBXAGGSA-N 2 0 350.385 0.136 10 0 FCAERP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872189542 672598695 /nfs/dbraw/zinc/59/86/95/672598695.db2.gz HPSDJSRQQXCAEQ-OLZOCXBDSA-N 2 0 364.412 0.382 10 0 FCAERP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872191773 672600304 /nfs/dbraw/zinc/60/03/04/672600304.db2.gz NVJPNBLAGQCYQP-ZYHUDNBSSA-N 2 0 350.385 0.135 10 0 FCAERP C[NH+](C)CC1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000872196064 672603634 /nfs/dbraw/zinc/60/36/34/672603634.db2.gz UBONYVGBVVPXKE-OLZOCXBDSA-N 2 0 364.412 0.382 10 0 FCAERP CC(C)(O)C[C@@H](O)C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000872199673 672605023 /nfs/dbraw/zinc/60/50/23/672605023.db2.gz AHDIFZTZPACQGW-MRXNPFEDSA-N 2 0 351.495 0.490 10 0 FCAERP CC(C)c1nnc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[nH]1 ZINC000875630073 672900287 /nfs/dbraw/zinc/90/02/87/672900287.db2.gz BQBIGCFTXYSMAU-ZIAGYGMSSA-N 2 0 351.499 0.809 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000923654029 672989371 /nfs/dbraw/zinc/98/93/71/672989371.db2.gz DGAUDSFAWQIFFK-IKGGRYGDSA-N 2 0 353.488 0.812 10 0 FCAERP O=S(=O)(NCC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000923656640 673006316 /nfs/dbraw/zinc/00/63/16/673006316.db2.gz JFOXHERTWKUESH-QGZVFWFLSA-N 2 0 352.504 0.965 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000128033136 673146572 /nfs/dbraw/zinc/14/65/72/673146572.db2.gz AYCHUPRGHIDSJE-DZGCQCFKSA-N 2 0 350.467 0.372 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923703634 673735773 /nfs/dbraw/zinc/73/57/73/673735773.db2.gz RQLZLLQIZVUTMO-WFASDCNBSA-N 2 0 357.524 0.667 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925342947 673788041 /nfs/dbraw/zinc/78/80/41/673788041.db2.gz KBFVLCDILCCYIJ-RDJZCZTQSA-N 2 0 356.511 0.848 10 0 FCAERP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)CC2)cn1 ZINC000925579906 673794314 /nfs/dbraw/zinc/79/43/14/673794314.db2.gz IEODBLKDHQJDNB-HUUCEWRRSA-N 2 0 353.492 0.433 10 0 FCAERP C[C@H]([NH2+][C@H]1CNOC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000925868936 673805449 /nfs/dbraw/zinc/80/54/49/673805449.db2.gz AUBLHYMYXDZILW-ZFWWWQNUSA-N 2 0 356.492 0.471 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926297013 673820675 /nfs/dbraw/zinc/82/06/75/673820675.db2.gz FPNUXOCGOSQWOW-HZPDHXFCSA-N 2 0 350.507 0.907 10 0 FCAERP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000926400039 673829990 /nfs/dbraw/zinc/82/99/90/673829990.db2.gz XEWQOXIXJCPTHY-HOTGVXAUSA-N 2 0 350.507 0.907 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@H]1C[NH+](C)C ZINC000926677855 673839631 /nfs/dbraw/zinc/83/96/31/673839631.db2.gz QTCPGVHLANHUBQ-MTSZKFMLSA-N 2 0 354.495 0.171 10 0 FCAERP CCO[C@@H](CNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1)C[NH+](C)C ZINC000926847567 673845292 /nfs/dbraw/zinc/84/52/92/673845292.db2.gz XNSOFAYLCAPPOH-INIZCTEOSA-N 2 0 357.543 0.668 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2)[NH+]1CCC(C)CC1 ZINC000929785392 673976705 /nfs/dbraw/zinc/97/67/05/673976705.db2.gz SMQWPLDAZGLEFY-MRXNPFEDSA-N 2 0 350.507 0.920 10 0 FCAERP CN1CC[NH+](CC2CCN(C(=O)C[C@]3(O)CCC[N@H+](C)C3)CC2)CC1 ZINC000900644454 675703169 /nfs/dbraw/zinc/70/31/69/675703169.db2.gz IHUBBRLRDAIUJV-LJQANCHMSA-N 2 0 352.523 0.319 10 0 FCAERP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)CC2)CC1 ZINC000901146081 675763739 /nfs/dbraw/zinc/76/37/39/675763739.db2.gz PPQKLNREHKNEEZ-HKUYNNGSSA-N 2 0 352.523 0.459 10 0 FCAERP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCCC[N@H+](C)CCOC)CC1 ZINC000897487011 1192188038 /nfs/dbraw/zinc/18/80/38/1192188038.db2.gz WMWPAQVGWXEJPO-UHFFFAOYSA-N 2 0 368.522 0.548 10 0 FCAERP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001719575955 1168043992 /nfs/dbraw/zinc/04/39/92/1168043992.db2.gz YXXVMSMOUXGWIM-ZACQAIPSSA-N 2 0 364.534 0.975 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C2CC2)CC[N@@H+]1C ZINC001746268215 1192375858 /nfs/dbraw/zinc/37/58/58/1192375858.db2.gz CCPINNAXATWWEZ-OGWOLHLISA-N 2 0 362.518 0.824 10 0 FCAERP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001482925571 1192434588 /nfs/dbraw/zinc/43/45/88/1192434588.db2.gz RVQCLJOZPJSJIJ-SOUVJXGZSA-N 2 0 369.510 0.389 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1C(=O)COCC[NH+](C)C ZINC001719645484 1171744080 /nfs/dbraw/zinc/74/40/80/1171744080.db2.gz VIMUSTHZADZKPI-XHSDSOJGSA-N 2 0 354.495 0.012 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000124986371 1171809532 /nfs/dbraw/zinc/80/95/32/1171809532.db2.gz IDEWTWMHLLJVHH-UHFFFAOYSA-N 2 0 364.494 0.809 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001267129797 1171861411 /nfs/dbraw/zinc/86/14/11/1171861411.db2.gz XPBBQVGCKXUCBH-BHYGNILZSA-N 2 0 368.522 0.496 10 0 FCAERP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000897677052 1192841043 /nfs/dbraw/zinc/84/10/43/1192841043.db2.gz GBIVFPLEYVBUBZ-INIZCTEOSA-N 2 0 366.506 0.300 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000898041512 1192855548 /nfs/dbraw/zinc/85/55/48/1192855548.db2.gz GLBLNSMXAZYOOV-HZPDHXFCSA-N 2 0 361.490 0.965 10 0 FCAERP 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C[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001489272898 1208750341 /nfs/dbraw/zinc/75/03/41/1208750341.db2.gz FEPZIDHCGYHABB-DLBZAZTESA-N 2 0 350.507 0.873 10 0 FCAERP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)[NH+](C)C ZINC001489475081 1208855107 /nfs/dbraw/zinc/85/51/07/1208855107.db2.gz OISRJVUHPQBYBU-OAGGEKHMSA-N 2 0 350.507 0.918 10 0 FCAERP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1O ZINC001489608490 1208966842 /nfs/dbraw/zinc/96/68/42/1208966842.db2.gz DVMMVKOTOCAZFF-RYRKJORJSA-N 2 0 368.522 0.137 10 0 FCAERP C[NH+](C)CCOCC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001489655573 1209041911 /nfs/dbraw/zinc/04/19/11/1209041911.db2.gz HKUTYTLYHWJPBV-NVXWUHKLSA-N 2 0 366.506 0.108 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001490226787 1209277725 /nfs/dbraw/zinc/27/77/25/1209277725.db2.gz MIELVMPBHQOWNB-QFBILLFUSA-N 2 0 350.507 0.729 10 0 FCAERP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001490356972 1209336904 /nfs/dbraw/zinc/33/69/04/1209336904.db2.gz ALFJXZATDUJSKV-BRWVUGGUSA-N 2 0 368.522 0.117 10 0 FCAERP Cc1nccn1CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001490423383 1209349572 /nfs/dbraw/zinc/34/95/72/1209349572.db2.gz HKOWKQBSYCOGQC-DJIMGWMZSA-N 2 0 361.490 0.744 10 0 FCAERP CC(C)[N@H+](C)CC(=O)NC[C@@]1(C)CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001490528226 1209366394 /nfs/dbraw/zinc/36/63/94/1209366394.db2.gz HIWXWMMMECAZBY-MDZRGWNJSA-N 2 0 368.522 0.401 10 0 FCAERP CCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(C)CCO1)C2 ZINC001490582268 1209379882 /nfs/dbraw/zinc/37/98/82/1209379882.db2.gz FSCIQFQWAYLAMI-QZWWFDLISA-N 2 0 366.506 0.297 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)cc2)CC1 ZINC000850847443 1209492104 /nfs/dbraw/zinc/49/21/04/1209492104.db2.gz IQOFNSZJFDGSEZ-UHFFFAOYSA-N 2 0 371.485 0.717 10 0 FCAERP [NH3+]C[C@@H]1CC(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)=NO1 ZINC000852867922 1209569124 /nfs/dbraw/zinc/56/91/24/1209569124.db2.gz HJIZNUNESZJDQF-HNNXBMFYSA-N 2 0 359.430 0.554 10 0 FCAERP C[C@@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000852872084 1209570861 /nfs/dbraw/zinc/57/08/61/1209570861.db2.gz AUOHKOMTEFUQPU-TZMCWYRMSA-N 2 0 363.437 0.858 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000861516674 1209869141 /nfs/dbraw/zinc/86/91/41/1209869141.db2.gz MELWNDWDVKQQSH-LSDHHAIUSA-N 2 0 359.474 0.634 10 0 FCAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861639236 1209873093 /nfs/dbraw/zinc/87/30/93/1209873093.db2.gz BZUZXPIKLGBAMA-XZDPQHSOSA-N 2 0 365.478 0.471 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C[NH+](C)C ZINC000866041011 1209990070 /nfs/dbraw/zinc/99/00/70/1209990070.db2.gz BFSOEAHOUJYJKT-ZIAGYGMSSA-N 2 0 357.458 0.735 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]23COCCN2C(=O)COC3)[C@H](C)C1 ZINC000866553546 1209998949 /nfs/dbraw/zinc/99/89/49/1209998949.db2.gz DCKPBNHIOHGKMG-ZIFCJYIRSA-N 2 0 369.506 0.341 10 0 FCAERP NC(=O)c1ccc(CC[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000866661466 1210000976 /nfs/dbraw/zinc/00/09/76/1210000976.db2.gz QKURHYAFGLUQJG-AEFFLSMTSA-N 2 0 358.486 0.908 10 0 FCAERP NC(=O)c1ccc(CC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000866661468 1210001200 /nfs/dbraw/zinc/00/12/00/1210001200.db2.gz QKURHYAFGLUQJG-FUHWJXTLSA-N 2 0 358.486 0.908 10 0 FCAERP O=C(CC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCC1CCCCC1 ZINC000866714044 1210005266 /nfs/dbraw/zinc/00/52/66/1210005266.db2.gz DTOHKSWTAVXBHH-BBWFWOEESA-N 2 0 364.490 0.940 10 0 FCAERP CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001490806803 1210032571 /nfs/dbraw/zinc/03/25/71/1210032571.db2.gz CZXNSJZDQGDUAO-XDNAFOTISA-N 2 0 362.518 0.918 10 0 FCAERP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000868229607 1210045304 /nfs/dbraw/zinc/04/53/04/1210045304.db2.gz PZFHUQFNIFOVEE-VVLHAWIVSA-N 2 0 358.442 0.419 10 0 FCAERP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000868261218 1210047745 /nfs/dbraw/zinc/04/77/45/1210047745.db2.gz NTWSQXHZNBXIFD-INIZCTEOSA-N 2 0 362.474 0.696 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868255543 1210047800 /nfs/dbraw/zinc/04/78/00/1210047800.db2.gz DJIKPMHPLVAENN-DLBZAZTESA-N 3 0 361.490 0.439 10 0 FCAERP CNc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000868263401 1210048095 /nfs/dbraw/zinc/04/80/95/1210048095.db2.gz NZIUQJJQHSPGHQ-ZIAGYGMSSA-N 2 0 362.478 0.260 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000868290235 1210050266 /nfs/dbraw/zinc/05/02/66/1210050266.db2.gz WDBFJRVPKLTVNN-UHFFFAOYSA-N 2 0 374.489 0.961 10 0 FCAERP CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016912 1210099411 /nfs/dbraw/zinc/09/94/11/1210099411.db2.gz AYBXMRQKRYCPHC-SPYBWZPUSA-N 2 0 371.522 0.931 10 0 FCAERP Cn1cc(-c2n[nH]cc2C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000870019994 1210099463 /nfs/dbraw/zinc/09/94/63/1210099463.db2.gz YEKAPKNKCLQIAR-HUUCEWRRSA-N 2 0 359.478 0.622 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CNc2ccccc2C(N)=O)C[C@H]1C[NH+](C)C ZINC000870019256 1210099504 /nfs/dbraw/zinc/09/95/04/1210099504.db2.gz BFUREYUSVYLQDE-HUUCEWRRSA-N 2 0 361.490 0.395 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2Oc3ccccc3NC2=O)C[C@H]1C[NH+](C)C ZINC000870025040 1210100013 /nfs/dbraw/zinc/10/00/13/1210100013.db2.gz XTFWUNUVEFLSOE-RKVPGOIHSA-N 2 0 374.485 0.974 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CCNC(=O)Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870024289 1210100279 /nfs/dbraw/zinc/10/02/79/1210100279.db2.gz XHUSYUDRELPICW-RTBURBONSA-N 2 0 374.529 0.933 10 0 FCAERP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1-n1cnnn1 ZINC000870024331 1210100325 /nfs/dbraw/zinc/10/03/25/1210100325.db2.gz YVDIWAXJMONVRI-IAGOWNOFSA-N 2 0 371.489 0.782 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccnc(N3CCCC3)n2)C[C@H]1C[NH+](C)C ZINC000870021533 1210100356 /nfs/dbraw/zinc/10/03/56/1210100356.db2.gz HDOFVIJLGSRUDO-HZPDHXFCSA-N 2 0 360.506 0.888 10 0 FCAERP [NH3+][C@@H](CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000870996385 1210125167 /nfs/dbraw/zinc/12/51/67/1210125167.db2.gz AGEBGNUGMAWISD-TWMKSMIVSA-N 2 0 358.442 0.860 10 0 FCAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000871000347 1210126214 /nfs/dbraw/zinc/12/62/14/1210126214.db2.gz JKXFVJVIGJZQQT-ZACQAIPSSA-N 2 0 358.442 0.755 10 0 FCAERP C[C@@]12CN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000872193944 1210177600 /nfs/dbraw/zinc/17/76/00/1210177600.db2.gz DBMGXENXQHMVQX-BBTUJRGHSA-N 2 0 370.497 0.774 10 0 FCAERP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000872197001 1210178472 /nfs/dbraw/zinc/17/84/72/1210178472.db2.gz UAFQFRPIZYOTRW-CNTRQJEFSA-N 2 0 370.497 0.915 10 0 FCAERP C[C@@]12CN(C(=O)C(=O)N3CCC([NH3+])CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000872198160 1210178643 /nfs/dbraw/zinc/17/86/43/1210178643.db2.gz XMGQFUQYXVXTQX-LAUBAEHRSA-N 2 0 370.497 0.917 10 0 FCAERP C[C@@]([NH3+])(C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccccc1 ZINC000872254538 1210182801 /nfs/dbraw/zinc/18/28/01/1210182801.db2.gz HGSMIMHUUVHETN-GJYPPUQNSA-N 2 0 358.442 0.644 10 0 FCAERP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872253735 1210182856 /nfs/dbraw/zinc/18/28/56/1210182856.db2.gz FPUHSHSICSGGJZ-KSZLIROESA-N 2 0 370.453 0.657 10 0 FCAERP [NH3+][C@@H](CC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccccc1 ZINC000872255562 1210183208 /nfs/dbraw/zinc/18/32/08/1210183208.db2.gz ZEWSFKKORACCGY-BBWFWOEESA-N 2 0 358.442 0.860 10 0 FCAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000872255115 1210184201 /nfs/dbraw/zinc/18/42/01/1210184201.db2.gz PLBSBFZIVRSLJU-XYPHTWIQSA-N 2 0 372.404 0.773 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCCC(=O)N2CCCCC2)C[C@H]1C[NH+](C)C ZINC000875067715 1210334210 /nfs/dbraw/zinc/33/42/10/1210334210.db2.gz AWACJTGJRDATHQ-IAGOWNOFSA-N 2 0 367.538 0.770 10 0 FCAERP CN(C)c1nccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000875461557 1210375210 /nfs/dbraw/zinc/37/52/10/1210375210.db2.gz KIYUNKYQLAEVDG-HUUCEWRRSA-N 2 0 363.510 0.423 10 0 FCAERP CCCN1C[C@@H](CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC000875676554 1210387016 /nfs/dbraw/zinc/38/70/16/1210387016.db2.gz PQRFNRXWQCEYPI-BRWVUGGUSA-N 2 0 367.538 0.626 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC000926313682 1211529644 /nfs/dbraw/zinc/52/96/44/1211529644.db2.gz GJEZPGFIJYGOTC-GDBMZVCRSA-N 2 0 364.490 0.922 10 0 FCAERP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000926398493 1211545918 /nfs/dbraw/zinc/54/59/18/1211545918.db2.gz NOFSGLWYLFPDHN-INIZCTEOSA-N 2 0 366.506 0.143 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926655874 1211552953 /nfs/dbraw/zinc/55/29/53/1211552953.db2.gz DKZNRVXFYLGKQZ-OWSLCNJRSA-N 2 0 368.522 0.848 10 0 FCAERP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000927809871 1211582474 /nfs/dbraw/zinc/58/24/74/1211582474.db2.gz BIMXHAHRXGZAAA-RDTXWAMCSA-N 2 0 373.501 0.880 10 0 FCAERP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000927828678 1211583694 /nfs/dbraw/zinc/58/36/94/1211583694.db2.gz QUOMAFUASBYJFQ-HUUCEWRRSA-N 2 0 362.474 0.927 10 0 FCAERP Cc1nn(C)c(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1C ZINC000927836786 1211584354 /nfs/dbraw/zinc/58/43/54/1211584354.db2.gz ZKVMUUZTVBKALO-IYBDPMFKSA-N 2 0 374.489 0.403 10 0 FCAERP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000927844013 1211584388 /nfs/dbraw/zinc/58/43/88/1211584388.db2.gz KUPRVRDPBVKHFR-UHFFFAOYSA-N 2 0 361.490 0.269 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C[NH+](C)C ZINC000927867335 1211587202 /nfs/dbraw/zinc/58/72/02/1211587202.db2.gz ZQZRQSBDXRWUNE-CYBMUJFWSA-N 2 0 366.437 0.493 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCCC1 ZINC000929161619 1211619424 /nfs/dbraw/zinc/61/94/24/1211619424.db2.gz CGGBKBPUWQEHMS-CVEARBPZSA-N 2 0 366.506 0.035 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2)Cc1ccccc1 ZINC000929187026 1211621702 /nfs/dbraw/zinc/62/17/02/1211621702.db2.gz ZSGAPKQUXFOHCR-SFHVURJKSA-N 2 0 372.513 0.972 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N1CCC12CC[NH+](C)CC2)Cc1ccccc1 ZINC000929666966 1211654076 /nfs/dbraw/zinc/65/40/76/1211654076.db2.gz JLYNCQMNAAIFKP-UHFFFAOYSA-N 2 0 358.486 0.931 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000929701741 1211656063 /nfs/dbraw/zinc/65/60/63/1211656063.db2.gz GTSWBFSGSMTXQL-CVEARBPZSA-N 2 0 370.538 0.696 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000929955228 1211676138 /nfs/dbraw/zinc/67/61/38/1211676138.db2.gz NXRGSRREDDRTOE-IXDOHACOSA-N 2 0 366.506 0.035 10 0 FCAERP CON1CC[C@@H]([NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1=O ZINC000930071135 1211685938 /nfs/dbraw/zinc/68/59/38/1211685938.db2.gz CIBRKUOKABHYGE-QGZVFWFLSA-N 2 0 366.506 0.853 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C[N@@H+]1C1CC1 ZINC000930478660 1211708581 /nfs/dbraw/zinc/70/85/81/1211708581.db2.gz GNJJNQBTALPIDU-KYJSFNMBSA-N 2 0 373.501 0.932 10 0 FCAERP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000931017123 1211734980 /nfs/dbraw/zinc/73/49/80/1211734980.db2.gz DFHZYIKDZONURY-IRXDYDNUSA-N 2 0 361.490 0.791 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@]3(C)C[NH+](C)C[C@]3(C)C2)C1 ZINC000931302640 1211750113 /nfs/dbraw/zinc/75/01/13/1211750113.db2.gz ASWWKWYVXMIGLM-RLLQIKCJSA-N 2 0 366.550 0.733 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)[C@H](C)C1 ZINC000931610456 1211763685 /nfs/dbraw/zinc/76/36/85/1211763685.db2.gz DPXLVFSGSHFJPQ-PBHICJAKSA-N 2 0 361.490 0.953 10 0 FCAERP C[NH+](C[C@@H](O)C1(O)CCC1)[C@H]1CC[C@H]([N@H+](C)C[C@H](O)C2(O)CCC2)CC1 ZINC000931737602 1211771855 /nfs/dbraw/zinc/77/18/55/1211771855.db2.gz KRBFAPBNMMMJRJ-VHKIVQRHSA-N 2 0 370.534 0.713 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)cn2)CC1 ZINC000900229720 1217973031 /nfs/dbraw/zinc/97/30/31/1217973031.db2.gz QSGOXWOFWAGMAE-LPHOPBHVSA-N 2 0 361.490 0.295 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)cn2)CC1 ZINC000900229722 1217973426 /nfs/dbraw/zinc/97/34/26/1217973426.db2.gz QSGOXWOFWAGMAE-VQIMIIECSA-N 2 0 361.490 0.295 10 0 FCAERP CCCC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)C12CC[NH+](CC1)C2 ZINC000901024799 1218071375 /nfs/dbraw/zinc/07/13/75/1218071375.db2.gz UGFQDWHUFCVOMY-INIZCTEOSA-N 2 0 362.518 0.969 10 0 FCAERP C/C(=C/C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)CN1CCOCC1 ZINC000901105683 1218081029 /nfs/dbraw/zinc/08/10/29/1218081029.db2.gz JPVHBDYHXMPFKZ-WAIALKQBSA-N 2 0 364.490 0.030 10 0 FCAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903732846 1218510218 /nfs/dbraw/zinc/51/02/18/1218510218.db2.gz XZJNAHCVVVULBY-INIZCTEOSA-N 2 0 364.465 0.912 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000903750554 1218515372 /nfs/dbraw/zinc/51/53/72/1218515372.db2.gz NJEJFNMMJAUXGD-IRXDYDNUSA-N 2 0 358.486 0.915 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(CC[NH2+]C)C(C)C)CC1 ZINC000903820250 1218546569 /nfs/dbraw/zinc/54/65/69/1218546569.db2.gz NDMQXBXFRPDUDZ-UHFFFAOYSA-N 2 0 368.522 0.546 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@H](C)C(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001277397534 1226017027 /nfs/dbraw/zinc/01/70/27/1226017027.db2.gz NRLQMDZEOZQZCG-VHDGCEQUSA-N 2 0 367.494 0.223 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000784393676 1221241771 /nfs/dbraw/zinc/24/17/71/1221241771.db2.gz OCNSOYRJALRCOO-UHFFFAOYSA-N 2 0 364.494 0.889 10 0 FCAERP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC001118381239 1221770973 /nfs/dbraw/zinc/77/09/73/1221770973.db2.gz GSZKVWRBZHYKLX-MSOLQXFVSA-N 2 0 363.506 0.636 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001118488638 1221788594 /nfs/dbraw/zinc/78/85/94/1221788594.db2.gz SAURWERYPBCUAL-UHFFFAOYSA-N 2 0 366.506 0.239 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)c1cccc2c1C[NH2+]CC2 ZINC001119037390 1221859383 /nfs/dbraw/zinc/85/93/83/1221859383.db2.gz RYQLOHHUUBKTAW-STQMWFEESA-N 2 0 358.442 0.421 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(-n3cncn3)n2)C[C@H]1C[NH+](C)C ZINC001119044138 1221860206 /nfs/dbraw/zinc/86/02/06/1221860206.db2.gz AHHREXILPVMZFG-HUUCEWRRSA-N 2 0 357.462 0.474 10 0 FCAERP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001119692086 1221951601 /nfs/dbraw/zinc/95/16/01/1221951601.db2.gz BZMOKKJIHJZAOA-BRWVUGGUSA-N 2 0 366.506 0.345 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001119704056 1221953710 /nfs/dbraw/zinc/95/37/10/1221953710.db2.gz CCRRMQXKHNLROP-LSDHHAIUSA-N 2 0 359.474 0.610 10 0 FCAERP [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)N1CCC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC001119703379 1221953892 /nfs/dbraw/zinc/95/38/92/1221953892.db2.gz PFMNTYJVKXDYDB-CVEARBPZSA-N 2 0 364.490 0.040 10 0 FCAERP CCN1CCC([NH+]2CCC(C(=O)N3CC[C@](O)(C[NH+](C)C)C3)CC2)CC1 ZINC001123951958 1222368409 /nfs/dbraw/zinc/36/84/09/1222368409.db2.gz BMTCQLABDAEXOS-FQEVSTJZSA-N 2 0 366.550 0.708 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000841215842 1222814289 /nfs/dbraw/zinc/81/42/89/1222814289.db2.gz BVXGPAXPIZKDGL-GDBMZVCRSA-N 2 0 359.474 0.491 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000842266133 1222845281 /nfs/dbraw/zinc/84/52/81/1222845281.db2.gz SDFHZOHKBVFDPH-WMZOPIPTSA-N 2 0 360.502 0.734 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000843329576 1222870643 /nfs/dbraw/zinc/87/06/43/1222870643.db2.gz OIMUJEGHCVQVCQ-OAHLLOKOSA-N 2 0 363.414 0.814 10 0 FCAERP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849522879 1245398419 /nfs/dbraw/zinc/39/84/19/1245398419.db2.gz PTQFGLIVFBAWKS-KSZLIROESA-N 2 0 363.506 0.682 10 0 FCAERP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](CO)C[NH+]2CCCCC2)cn1 ZINC000849590651 1245404920 /nfs/dbraw/zinc/40/49/20/1245404920.db2.gz CKTDDKFCIFWVJW-BZSNNMDCSA-N 2 0 363.506 0.418 10 0 FCAERP CC[NH+]1CC[C@@H]1CNC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@H+]2CC)c1N ZINC000922158312 1245661957 /nfs/dbraw/zinc/66/19/57/1245661957.db2.gz HPYKODOVRRRXTC-GASCZTMLSA-N 2 0 373.501 0.917 10 0 FCAERP Cn1nc2c(c1C[NH2+]CC1(N3CCOCC3)CC[NH+](C)CC1)COCC2 ZINC000922183834 1245664147 /nfs/dbraw/zinc/66/41/47/1245664147.db2.gz ODFGJBFFJUGRKU-UHFFFAOYSA-N 2 0 363.506 0.379 10 0 FCAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC(=O)NCc1ccc3c(c1)OCO3)CC2 ZINC000923458612 1245721061 /nfs/dbraw/zinc/72/10/61/1245721061.db2.gz RFPDDCRQTHZRNH-HNNXBMFYSA-N 2 0 361.442 0.861 10 0 FCAERP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923478857 1245723222 /nfs/dbraw/zinc/72/32/22/1245723222.db2.gz SRNYIGXTTODIHA-UWJYYQICSA-N 2 0 374.529 0.941 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001515168522 1265451815 /nfs/dbraw/zinc/45/18/15/1265451815.db2.gz SMWOZCFCWCCVMN-IXDOHACOSA-N 2 0 350.507 0.825 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001329241802 1265718823 /nfs/dbraw/zinc/71/88/23/1265718823.db2.gz TUVDGKODMGSOTM-QGZVFWFLSA-N 2 0 366.506 0.158 10 0 FCAERP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001329346652 1265739325 /nfs/dbraw/zinc/73/93/25/1265739325.db2.gz WWXRNMXZCSOIJD-ZACQAIPSSA-N 2 0 364.490 0.003 10 0 FCAERP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@H]1C[NH+](C)CCN1C ZINC001519655305 1265744973 /nfs/dbraw/zinc/74/49/73/1265744973.db2.gz QGHLAEVKVLRVTO-JJXSEGSLSA-N 2 0 355.552 0.500 10 0 FCAERP CC[C@H]1CN(C(=O)C(=O)N(C(C)=O)c2cccc3c2C[NH2+]CC3)CC[C@@H]1[NH3+] ZINC001329503807 1265770677 /nfs/dbraw/zinc/77/06/77/1265770677.db2.gz DZJDJCPPYZMZGH-YOEHRIQHSA-N 2 0 372.469 0.798 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)cn2)CC1 ZINC001329563209 1265782547 /nfs/dbraw/zinc/78/25/47/1265782547.db2.gz POAQSJSDVZYXLZ-SFHVURJKSA-N 2 0 362.478 0.594 10 0 FCAERP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC001329563552 1265782577 /nfs/dbraw/zinc/78/25/77/1265782577.db2.gz ZHRGLUGUKYAPOU-KGLIPLIRSA-N 2 0 362.478 0.674 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001329614915 1265792409 /nfs/dbraw/zinc/79/24/09/1265792409.db2.gz ZOECPQALTFOKNT-DLBZAZTESA-N 2 0 366.506 0.156 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1C(=O)COCC[NH+](C)C ZINC001519982990 1265816943 /nfs/dbraw/zinc/81/69/43/1265816943.db2.gz GXBXBDDQYHDVCA-BBWFWOEESA-N 2 0 368.522 0.545 10 0 FCAERP C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)CC1 ZINC001520223288 1265881643 /nfs/dbraw/zinc/88/16/43/1265881643.db2.gz ZKLWYXZSXUKXFL-SJORKVTESA-N 2 0 362.518 0.731 10 0 FCAERP CC[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC001329990778 1265917137 /nfs/dbraw/zinc/91/71/37/1265917137.db2.gz VWEMWQBXAJJYGP-CQSZACIVSA-N 2 0 360.458 0.955 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)CCC[NH+](C)C ZINC001520730317 1265982312 /nfs/dbraw/zinc/98/23/12/1265982312.db2.gz TYTKOIFCBZTQTB-PVAVHDDUSA-N 2 0 350.507 0.776 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CCc2ccc3c(c2)CCO3)CC[N@@H+]1C ZINC001331712714 1266270292 /nfs/dbraw/zinc/27/02/92/1266270292.db2.gz RGNCSKIOBPCRBG-ZTFGCOKTSA-N 2 0 361.486 0.571 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)CC[NH+](C)C)C3)CC[N@@H+]1C ZINC001335552351 1259711738 /nfs/dbraw/zinc/71/17/38/1259711738.db2.gz GCGBMEMWYWQSIP-HZPDHXFCSA-N 2 0 350.507 0.729 10 0 FCAERP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001521991347 1266282756 /nfs/dbraw/zinc/28/27/56/1266282756.db2.gz MKYFRRQIUWAJLD-ZACQAIPSSA-N 2 0 350.507 0.777 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)c1cccc2c1C[NH2+]CC2 ZINC001335715956 1259801207 /nfs/dbraw/zinc/80/12/07/1259801207.db2.gz RCKFWLZSANDIAD-XJKSGUPXSA-N 2 0 372.469 0.798 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001335841654 1259865237 /nfs/dbraw/zinc/86/52/37/1259865237.db2.gz DVYFUMBMOJPOSX-KRWDZBQOSA-N 2 0 372.469 0.942 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)c1cccc2c1C[NH2+]CC2 ZINC001261869257 1260203747 /nfs/dbraw/zinc/20/37/47/1260203747.db2.gz JKNJTTWJIZSXKP-INIZCTEOSA-N 2 0 372.469 0.764 10 0 FCAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC001262252070 1260289239 /nfs/dbraw/zinc/28/92/39/1260289239.db2.gz JOGNXTVZJPPAHE-USXIJHARSA-N 2 0 366.506 0.345 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001264536011 1260378948 /nfs/dbraw/zinc/37/89/48/1260378948.db2.gz GNBIQTSEFOEXAW-KZNAEPCWSA-N 2 0 363.506 0.678 10 0 FCAERP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001265847917 1260418641 /nfs/dbraw/zinc/41/86/41/1260418641.db2.gz DQGIDQFGYUERCF-VNHYZAJKSA-N 2 0 367.494 0.141 10 0 FCAERP CSCc1nc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n[nH]1 ZINC001337737942 1260472868 /nfs/dbraw/zinc/47/28/68/1260472868.db2.gz QFWOEAUSPLZPPX-CHWSQXEVSA-N 2 0 369.539 0.549 10 0 FCAERP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC001332121665 1266340626 /nfs/dbraw/zinc/34/06/26/1266340626.db2.gz SSLGZAZJBJNJLJ-FGTMMUONSA-N 2 0 372.469 0.809 10 0 FCAERP C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1)C(=O)NC1CC1 ZINC001281238436 1261096313 /nfs/dbraw/zinc/09/63/13/1261096313.db2.gz CUWDLMVXVPEZJQ-IIAWOOMASA-N 2 0 366.506 0.249 10 0 FCAERP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1OC)[NH+](C)C ZINC001281840226 1261224291 /nfs/dbraw/zinc/22/42/91/1261224291.db2.gz DNKCMAAVCKOHED-BRWVUGGUSA-N 2 0 368.522 0.401 10 0 FCAERP CO[C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001281857568 1261238713 /nfs/dbraw/zinc/23/87/13/1261238713.db2.gz OATPKBOUCXBZLP-BFYDXBDKSA-N 2 0 365.478 0.120 10 0 FCAERP C[NH+](C)CCCC(=O)N1CC[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)[C@@H]2C1 ZINC001281978252 1261318736 /nfs/dbraw/zinc/31/87/36/1261318736.db2.gz MDPCDRDFXGHPLY-HLIPFELVSA-N 2 0 362.518 0.873 10 0 FCAERP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)[NH+](C)C ZINC001282789134 1261630190 /nfs/dbraw/zinc/63/01/90/1261630190.db2.gz NVSNKCAMRCESLE-WCXIOVBPSA-N 2 0 362.518 0.917 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccc(C(N)=O)cc2)CC[N@@H+]1C ZINC001284417412 1261755293 /nfs/dbraw/zinc/75/52/93/1261755293.db2.gz OLBVEPPENKCLKH-XOKHGSTOSA-N 2 0 362.474 0.035 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001289305596 1262167525 /nfs/dbraw/zinc/16/75/25/1262167525.db2.gz ZSUZLQJSDNITTR-BRWVUGGUSA-N 2 0 368.522 0.260 10 0 FCAERP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001289323132 1262172231 /nfs/dbraw/zinc/17/22/31/1262172231.db2.gz SSPNAIDWZJAQLV-IAGOWNOFSA-N 2 0 368.522 0.404 10 0 FCAERP CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001289486361 1262218935 /nfs/dbraw/zinc/21/89/35/1262218935.db2.gz QEDKMTWNYDZPCE-KLHDSHLOSA-N 2 0 366.506 0.010 10 0 FCAERP 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CC(C)NC(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001567124326 1269678198 /nfs/dbraw/zinc/67/81/98/1269678198.db2.gz FPSHQNFOMKNRFV-OWCLPIDISA-N 2 0 353.511 0.472 10 0 FCAERP CC(C)C[C@@H](C[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568329425 1269727516 /nfs/dbraw/zinc/72/75/16/1269727516.db2.gz XUQIOBNKVIWDOR-OWCLPIDISA-N 2 0 366.506 0.596 10 0 FCAERP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC001568701344 1269746128 /nfs/dbraw/zinc/74/61/28/1269746128.db2.gz MTNNPKNYJRTRCJ-WSTZPKSXSA-N 2 0 361.486 0.564 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]C[C@H]2CCCS(=O)(=O)C2)CC[N@@H+]1C ZINC001568853736 1269751404 /nfs/dbraw/zinc/75/14/04/1269751404.db2.gz NHLUFPYUGWOHOR-BBROLEBSSA-N 2 0 371.547 0.804 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001569982552 1269827873 /nfs/dbraw/zinc/82/78/73/1269827873.db2.gz XEYHVPBJOHVAKQ-IJEWVQPXSA-N 2 0 361.494 0.676 10 0 FCAERP CCOCCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001570083891 1269837688 /nfs/dbraw/zinc/83/76/88/1269837688.db2.gz UXAJDODACABDSV-BRWVUGGUSA-N 2 0 368.522 0.450 10 0 FCAERP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)CCC1 ZINC001343495213 1269927197 /nfs/dbraw/zinc/92/71/97/1269927197.db2.gz WEFIBXKFNGMWTO-OAGGEKHMSA-N 2 0 366.506 0.033 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC(=O)NC2CC2)C2CC2)CC[N@@H+]1C ZINC001571359957 1269929044 /nfs/dbraw/zinc/92/90/44/1269929044.db2.gz JGAXVDUSSWKSOP-BBWFWOEESA-N 2 0 350.507 0.822 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001571388457 1269930530 /nfs/dbraw/zinc/93/05/30/1269930530.db2.gz QPZLVLVRMNATLI-FRRDWIJNSA-N 2 0 366.428 0.832 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nc2C(F)F)CC[N@@H+]1C ZINC001571429740 1269933527 /nfs/dbraw/zinc/93/35/27/1269933527.db2.gz JVIXUTGMAAGLGY-RAIGVLPGSA-N 2 0 359.421 0.265 10 0 FCAERP 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CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCS(=O)(=O)CC)C2)CC[N@@H+]1C ZINC001713191564 1287269786 /nfs/dbraw/zinc/26/97/86/1287269786.db2.gz HNNXHNWXWBNMCN-XUWVNRHRSA-N 2 0 359.536 0.778 10 0 FCAERP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001713201786 1287271536 /nfs/dbraw/zinc/27/15/36/1287271536.db2.gz HQDKNDYLYXRUOJ-XDNAFOTISA-N 2 0 358.486 0.657 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001713752413 1287296020 /nfs/dbraw/zinc/29/60/20/1287296020.db2.gz ONKROMDHQDAIOX-HLLBOEOZSA-N 2 0 350.507 0.633 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001713752412 1287296417 /nfs/dbraw/zinc/29/64/17/1287296417.db2.gz ONKROMDHQDAIOX-BFYDXBDKSA-N 2 0 350.507 0.633 10 0 FCAERP C[C@H](C[NH2+]CCN1C(=O)NC(C)(C)C1=O)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714624987 1287327465 /nfs/dbraw/zinc/32/74/65/1287327465.db2.gz PDAGPLMXUOXWCV-MGPQQGTHSA-N 2 0 367.494 0.094 10 0 FCAERP 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C[N@@H+]1C[C@H](C(=O)NC/C=C\C[NH2+][C@H]2CCNC2=O)[C@@H](c2ccccc2)C1 ZINC001716345254 1287378668 /nfs/dbraw/zinc/37/86/68/1287378668.db2.gz MXGUHZYUSPRQAU-OYGDTKMKSA-N 2 0 356.470 0.482 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001716919045 1287394447 /nfs/dbraw/zinc/39/44/47/1287394447.db2.gz QQJQHTPOLDZDEL-SCTDSRPQSA-N 2 0 363.506 0.246 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC2CCCCC2)CC[N@@H+]1C ZINC001717050946 1287404512 /nfs/dbraw/zinc/40/45/12/1287404512.db2.gz OEJHWYSNAUJJRM-NVXWUHKLSA-N 2 0 368.522 0.186 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)N(C)C(C)C)C2)CC[N@@H+]1C ZINC001717171651 1287409827 /nfs/dbraw/zinc/40/98/27/1287409827.db2.gz VYKDGJORMMNXDS-YESZJQIVSA-N 2 0 368.522 0.401 10 0 FCAERP Cc1nnc([C@H](C)[NH2+]CC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCOCC2)[nH]1 ZINC001717263327 1287416298 /nfs/dbraw/zinc/41/62/98/1287416298.db2.gz YRALRORXEWKPJM-GZBFAFLISA-N 2 0 364.494 0.769 10 0 FCAERP CCCNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001717318887 1287418082 /nfs/dbraw/zinc/41/80/82/1287418082.db2.gz MYUSTPJLJNCJHY-JKSUJKDBSA-N 2 0 368.522 0.186 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)NCC3CC3)C(C)(C)C2)CC[N@@H+]1C ZINC001717894108 1287442148 /nfs/dbraw/zinc/44/21/48/1287442148.db2.gz LGROPHFMHDRYAA-FVQBIDKESA-N 2 0 350.507 0.679 10 0 FCAERP COc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sn1 ZINC001717917063 1287442350 /nfs/dbraw/zinc/44/23/50/1287442350.db2.gz ILDAHDDNMKEDML-YRGRVCCFSA-N 2 0 356.492 0.401 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccc(OC)nc2)CC[N@@H+]1C ZINC001717916763 1287442797 /nfs/dbraw/zinc/44/27/97/1287442797.db2.gz BLZKZCJHUSTCPJ-YESZJQIVSA-N 2 0 364.490 0.729 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001717991584 1287452636 /nfs/dbraw/zinc/45/26/36/1287452636.db2.gz JYMASFVEWBIWPI-LHUBUQBQSA-N 2 0 350.507 0.822 10 0 FCAERP 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CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001686249787 1292854812 /nfs/dbraw/zinc/85/48/12/1292854812.db2.gz WDDTYPWBFVOPSP-XLMAVXFVSA-N 2 0 350.507 0.917 10 0 FCAERP CC[N@H+](C)CCC(=O)NCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001686849625 1292963538 /nfs/dbraw/zinc/96/35/38/1292963538.db2.gz HONWXPVYWCKBCK-MSOLQXFVSA-N 2 0 360.502 0.906 10 0 FCAERP CS(=O)(=O)C1(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[NH2+]CC1 ZINC001118544368 847472259 /nfs/dbraw/zinc/47/22/59/847472259.db2.gz HMSDWAUNGAWCJF-HNNXBMFYSA-N 2 0 367.471 0.453 10 0 FCAERP C[C@H](NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1)[C@@H]1C[N@H+](C)CCN1C ZINC001123693453 848625453 /nfs/dbraw/zinc/62/54/53/848625453.db2.gz AICRLZUJUGTYJC-JCECYMMASA-N 2 0 351.539 0.992 10 0 FCAERP C[C@@H]1NC(=O)N(CC[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1=O ZINC001193211947 852386624 /nfs/dbraw/zinc/38/66/24/852386624.db2.gz ZROOUKCACNCJNG-HNNXBMFYSA-N 2 0 351.495 0.276 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001278498749 862354005 /nfs/dbraw/zinc/35/40/05/862354005.db2.gz QGZYQTJCEVWEQQ-GPMSIDNRSA-N 2 0 350.507 0.777 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CSCC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC001261545686 858587989 /nfs/dbraw/zinc/58/79/89/858587989.db2.gz KTTRWFSGHYVNFA-RUPPMWDTSA-N 2 0 370.563 0.632 10 0 FCAERP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001263699133 859189983 /nfs/dbraw/zinc/18/99/83/859189983.db2.gz FRVAOCJPNIQCGZ-XYJFISCASA-N 2 0 354.495 0.243 10 0 FCAERP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CCCS(C)(=O)=O)C1 ZINC001263982521 859266266 /nfs/dbraw/zinc/26/62/66/859266266.db2.gz JFVDMIYIESUDEE-PMPSAXMXSA-N 2 0 359.536 0.732 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)N(C)CC ZINC001264053129 859289464 /nfs/dbraw/zinc/28/94/64/859289464.db2.gz KFHZYTDDDWMBHP-IXDOHACOSA-N 2 0 350.507 0.776 10 0 FCAERP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001264701037 859425992 /nfs/dbraw/zinc/42/59/92/859425992.db2.gz DQAMBJVBYJJQMG-FPCVCCKLSA-N 2 0 374.551 0.235 10 0 FCAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C ZINC001264704053 859429286 /nfs/dbraw/zinc/42/92/86/859429286.db2.gz ODKRMAQCFKPPOG-KFWWJZLASA-N 2 0 357.474 0.271 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001264716407 859435699 /nfs/dbraw/zinc/43/56/99/859435699.db2.gz ILHOMLBHQJDLOV-PMPSAXMXSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266901039 859491698 /nfs/dbraw/zinc/49/16/98/859491698.db2.gz JOMCBBNTHLSNER-UKRFAEJPSA-N 2 0 350.507 0.676 10 0 FCAERP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001268793161 859541600 /nfs/dbraw/zinc/54/16/00/859541600.db2.gz KPLLUYNWIZGBOJ-JHJVBQTASA-N 2 0 366.428 0.832 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001269071180 859544813 /nfs/dbraw/zinc/54/48/13/859544813.db2.gz DNHBLMBVTOOQHW-BMFZPTHFSA-N 2 0 352.523 0.973 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@@H]3CCN(C)C3=O)CCCC2)CC[N@@H+]1C ZINC001270749904 859837034 /nfs/dbraw/zinc/83/70/34/859837034.db2.gz VCTHFEZLHGJBCE-ARFHVFGLSA-N 2 0 350.507 0.966 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)C[C@@H](O)COCC(F)(F)F)CC[N@@H+]1C ZINC001272020103 860064875 /nfs/dbraw/zinc/06/48/75/860064875.db2.gz GZUHNDOTOQWIGC-MGPQQGTHSA-N 2 0 369.428 0.657 10 0 FCAERP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001272071354 860083572 /nfs/dbraw/zinc/08/35/72/860083572.db2.gz GWPDUKBVHZUKBK-YYIAUSFCSA-N 2 0 350.507 0.774 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)N(C)c2nccs2)CC[N@@H+]1C ZINC001274035329 860663968 /nfs/dbraw/zinc/66/39/68/860663968.db2.gz KUYQFKSDYUYOJU-KOABKASLSA-N 2 0 365.503 0.708 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+]C[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001274520685 860768571 /nfs/dbraw/zinc/76/85/71/860768571.db2.gz NVRDUZGDOWAOPD-IXDOHACOSA-N 2 0 353.507 0.696 10 0 FCAERP C[C@H](C[NH2+]CC(=O)N(C)CC(F)(F)F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274761079 860815849 /nfs/dbraw/zinc/81/58/49/860815849.db2.gz ZLSISEQXFRGHRO-IJLUTSLNSA-N 2 0 352.401 0.442 10 0 FCAERP CCCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001280387538 863421590 /nfs/dbraw/zinc/42/15/90/863421590.db2.gz DGMSTKPWYMDGAY-HZPDHXFCSA-N 2 0 350.507 0.777 10 0 FCAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001281616530 863541080 /nfs/dbraw/zinc/54/10/80/863541080.db2.gz TYEVLXHQFBBIEI-HRCADAONSA-N 2 0 356.486 0.677 10 0 FCAERP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001281629882 863552052 /nfs/dbraw/zinc/55/20/52/863552052.db2.gz QPBDGZBXZZNBCT-YESZJQIVSA-N 2 0 350.507 0.729 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001281850332 863822768 /nfs/dbraw/zinc/82/27/68/863822768.db2.gz JGWKLSHBBCVTLE-ARFHVFGLSA-N 2 0 354.495 0.012 10 0 FCAERP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001281854949 863827708 /nfs/dbraw/zinc/82/77/08/863827708.db2.gz NCRVHANAWGAIQE-BZUAXINKSA-N 2 0 354.495 0.153 10 0 FCAERP C[NH+](C)CCCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001281980906 864017964 /nfs/dbraw/zinc/01/79/64/864017964.db2.gz JOSPCGTZRNFMPN-IXDOHACOSA-N 2 0 350.507 0.872 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)CC[N@@H+]1C ZINC001282483303 864294235 /nfs/dbraw/zinc/29/42/35/864294235.db2.gz VDJQOOLYHIXEJP-QBPKDAKJSA-N 2 0 352.523 0.879 10 0 FCAERP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1 ZINC001282781538 864440720 /nfs/dbraw/zinc/44/07/20/864440720.db2.gz RDXKMYCVLBGZRH-ZACQAIPSSA-N 2 0 350.507 0.918 10 0 FCAERP C[C@@H](NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C1CC1 ZINC001283043612 864483474 /nfs/dbraw/zinc/48/34/74/864483474.db2.gz WAAQKOYEMDYPKT-XPLWTBFPSA-N 2 0 350.507 0.726 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCCN(C(=O)[C@@H]2CC[NH+](C)C2)C2CC2)CC[N@@H+]1C ZINC001283790650 864520752 /nfs/dbraw/zinc/52/07/52/864520752.db2.gz ONQJHLIJOXDEMN-BFYDXBDKSA-N 2 0 350.507 0.776 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\CNC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC001285563512 864636610 /nfs/dbraw/zinc/63/66/10/864636610.db2.gz LKLTUXYYTBKXEF-LPHCKNNVSA-N 2 0 350.507 0.990 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC001285563510 864636954 /nfs/dbraw/zinc/63/69/54/864636954.db2.gz LKLTUXYYTBKXEF-DWAPUWECSA-N 2 0 350.507 0.990 10 0 FCAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001289828273 865292321 /nfs/dbraw/zinc/29/23/21/865292321.db2.gz DKQIFYHSRNAXOC-GVDBMIGSSA-N 2 0 350.507 0.729 10 0 FCAERP C[N@H+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1)C1CCC1 ZINC001290188787 865353844 /nfs/dbraw/zinc/35/38/44/865353844.db2.gz KTIIVACEMMVTOA-ZMSDIMECSA-N 2 0 350.507 0.966 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)C[NH+](C)CC(C)(C)C)C2)CC[N@@H+]1C ZINC001299363307 866170686 /nfs/dbraw/zinc/17/06/86/866170686.db2.gz QZXRYHFKJIHTJS-GDBMZVCRSA-N 2 0 352.523 0.974 10 0 FCAERP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC23CC[NH+](C)CC3)CCCC1 ZINC001351398680 866848889 /nfs/dbraw/zinc/84/88/89/866848889.db2.gz HMQKPKDKBSJBCF-UHFFFAOYSA-N 2 0 350.507 0.921 10 0 FCAERP CCO[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C[NH2+]C[C@H](C)O ZINC001316692867 867400957 /nfs/dbraw/zinc/40/09/57/867400957.db2.gz XXZJNIMBYGDUAN-CGTJXYLNSA-N 2 0 355.523 0.941 10 0 FCAERP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1)[NH+](CC)CC ZINC001316756207 867455229 /nfs/dbraw/zinc/45/52/29/867455229.db2.gz CDEXPVZGYRTTHB-IKGGRYGDSA-N 2 0 352.523 0.975 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCOCCNC(C)=O)C2)CC[N@@H+]1C ZINC001317058303 867518328 /nfs/dbraw/zinc/51/83/28/867518328.db2.gz XQSFOWMGMLOWEL-YESZJQIVSA-N 2 0 354.495 0.060 10 0 FCAERP C[C@@H](C[NH2+]CC(=O)NCc1ccco1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319460488 867923619 /nfs/dbraw/zinc/92/36/19/867923619.db2.gz NHPCYFCUHWHHQN-SQWLQELKSA-N 2 0 350.463 0.673 10 0 FCAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001356854974 868054476 /nfs/dbraw/zinc/05/44/76/868054476.db2.gz DDQRBCQOYYWFAV-BRWVUGGUSA-N 2 0 350.507 0.872 10 0 FCAERP CCN(CC[NH2+]CC(=O)NCC(F)(F)F)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320737769 868257636 /nfs/dbraw/zinc/25/76/36/868257636.db2.gz NRIXCVFMZKSPMT-VXGBXAGGSA-N 2 0 352.401 0.443 10 0 FCAERP COC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001322654287 868898098 /nfs/dbraw/zinc/89/80/98/868898098.db2.gz PCCLRRRSOBWZJV-BZUAXINKSA-N 2 0 355.479 0.391 10 0 FCAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001344311786 870820567 /nfs/dbraw/zinc/82/05/67/870820567.db2.gz LBSOBHTVUNDLDY-ARFHVFGLSA-N 2 0 350.507 0.824 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001327613838 870972095 /nfs/dbraw/zinc/97/20/95/870972095.db2.gz PMSCEYNFTCRBJH-OAHLLOKOSA-N 2 0 350.467 0.433 10 0 FCAERP Cc1ncoc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001328167280 871260689 /nfs/dbraw/zinc/26/06/89/871260689.db2.gz QYNFKCYMXXJMEH-HUUCEWRRSA-N 2 0 350.463 0.766 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)COCC[NH+](C)C ZINC001345450270 871348415 /nfs/dbraw/zinc/34/84/15/871348415.db2.gz LSMDWFXBKLLWHN-ZBFHGGJFSA-N 2 0 354.495 0.012 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CC(=O)NCC(C)(C)C)C2)CC[N@@H+]1C ZINC001328858904 871672004 /nfs/dbraw/zinc/67/20/04/871672004.db2.gz FSWOJSSSVMOVDP-PRLABOORSA-N 2 0 352.523 0.973 10 0 FCAERP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001346252727 871728145 /nfs/dbraw/zinc/72/81/45/871728145.db2.gz ADCBSMZLCYEMIQ-HZPDHXFCSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@H](CNC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1)N1CC[NH+](C)CC1 ZINC001347088697 872152197 /nfs/dbraw/zinc/15/21/97/872152197.db2.gz GMTHYJHKPVILNL-OWSLCNJRSA-N 2 0 351.539 0.994 10 0 FCAERP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC001329822288 872284276 /nfs/dbraw/zinc/28/42/76/872284276.db2.gz NQIGRPSURNOTIB-GJZGRUSLSA-N 2 0 350.438 0.883 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCC[C@H](C[NH2+]C)C2)CC1 ZINC001329823354 872286557 /nfs/dbraw/zinc/28/65/57/872286557.db2.gz KWGNCVDDBCXDCO-OAHLLOKOSA-N 2 0 353.511 0.618 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(F)CC2)C[C@H]1C[NH+](C)C ZINC001329889309 872342198 /nfs/dbraw/zinc/34/21/98/872342198.db2.gz ZTBZAJMITLVRSE-HUUCEWRRSA-N 2 0 356.486 0.535 10 0 FCAERP Cc1nccn1-c1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)cn1 ZINC001329953402 872385570 /nfs/dbraw/zinc/38/55/70/872385570.db2.gz YRKBLKYUWDDMLB-SNVBAGLBSA-N 2 0 356.308 0.520 10 0 FCAERP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)CC3(O)CCOCC3)CC2)CC1 ZINC001330702080 872771833 /nfs/dbraw/zinc/77/18/33/872771833.db2.gz QQLHWXITVLVDMN-GOSISDBHSA-N 2 0 355.523 0.427 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1C(F)(F)F ZINC001348822535 872803363 /nfs/dbraw/zinc/80/33/63/872803363.db2.gz WYLGEWNIYNEQMB-UPJWGTAASA-N 2 0 362.396 0.279 10 0 FCAERP CN(Cc1cccs1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001331930793 873306486 /nfs/dbraw/zinc/30/64/86/873306486.db2.gz ZHNWNJGTLWWWEX-HUUCEWRRSA-N 2 0 366.531 0.904 10 0 FCAERP C[NH+](CCNC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@@H+](C)C2CC2)C1)C1CC1 ZINC000411627698 529916097 /nfs/dbraw/zinc/91/60/97/529916097.db2.gz ZABYDULWWGITRE-GASCZTMLSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@H](CNC(=O)CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)N1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000930580547 674041312 /nfs/dbraw/zinc/04/13/12/674041312.db2.gz VBGSTCCJCIUIDY-SFFUCWETSA-N 2 0 353.555 0.540 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000334101861 215344330 /nfs/dbraw/zinc/34/43/30/215344330.db2.gz JNUSMMXHZQVCLJ-DOTOQJQBSA-N 2 0 367.538 0.911 10 0 FCAERP C[C@@H](CNC(=O)CN1CC[C@@H]([NH+](C)C)[C@H]1C)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931038904 674088958 /nfs/dbraw/zinc/08/89/58/674088958.db2.gz OQHBJMCYDBOCLY-IGKNDFSCSA-N 2 0 353.555 0.540 10 0 FCAERP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1OC ZINC000262338362 209571360 /nfs/dbraw/zinc/57/13/60/209571360.db2.gz FVXZYMBFBQRPNZ-HOTGVXAUSA-N 2 0 365.474 0.755 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1=O ZINC000367403070 216117368 /nfs/dbraw/zinc/11/73/68/216117368.db2.gz VOMOIFNZHXTQMG-HLIPFELVSA-N 2 0 362.518 0.921 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000367850662 216171681 /nfs/dbraw/zinc/17/16/81/216171681.db2.gz RNPUDXIEYDACKL-HKUYNNGSSA-N 2 0 352.523 0.487 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@H]2CCC[NH+](CC)C2)CC1=O ZINC000246442073 209386125 /nfs/dbraw/zinc/38/61/25/209386125.db2.gz NXKLPPWFRGAQJU-ULQDDVLXSA-N 2 0 350.507 0.920 10 0 FCAERP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cn1 ZINC000237171379 209348626 /nfs/dbraw/zinc/34/86/26/209348626.db2.gz VUCXVIRAPGWIAN-KBMXLJTQSA-N 2 0 362.478 0.420 10 0 FCAERP CN1CCN(C(=O)CC2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)CC1 ZINC000237191952 209349867 /nfs/dbraw/zinc/34/98/67/209349867.db2.gz WPFFKWXOCTUSHN-LJQANCHMSA-N 2 0 372.513 0.959 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000369202988 216363535 /nfs/dbraw/zinc/36/35/35/216363535.db2.gz FOPSQXXCHKFKMB-BRWVUGGUSA-N 2 0 354.495 0.338 10 0 FCAERP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000187297841 209210729 /nfs/dbraw/zinc/21/07/29/209210729.db2.gz FZPFFDCBBSBBBC-FUHWJXTLSA-N 2 0 363.506 0.905 10 0 FCAERP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2C(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000931430635 674114688 /nfs/dbraw/zinc/11/46/88/674114688.db2.gz DFFGMPXMDVETPS-CALCHBBNSA-N 2 0 350.507 0.539 10 0 FCAERP O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000414858446 245326286 /nfs/dbraw/zinc/32/62/86/245326286.db2.gz JJDMUYJXUPHHSF-UHFFFAOYSA-N 2 0 357.389 0.455 10 0 FCAERP CC[C@H](CO)[NH+]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000184975822 209170731 /nfs/dbraw/zinc/17/07/31/209170731.db2.gz AIJZQZJDEREPAZ-MOPGFXCFSA-N 2 0 362.518 0.794 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@]3(C2)CCCOC3)C1 ZINC000375293195 217245244 /nfs/dbraw/zinc/24/52/44/217245244.db2.gz QURPAVLONXVPPD-PKOBYXMFSA-N 2 0 353.507 0.962 10 0 FCAERP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)NC(N)=O)CC1 ZINC000181640404 209118107 /nfs/dbraw/zinc/11/81/07/209118107.db2.gz NCXCXNVULGOBCU-LBPRGKRZSA-N 2 0 351.426 0.813 10 0 FCAERP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000419158178 246023523 /nfs/dbraw/zinc/02/35/23/246023523.db2.gz WEEVTOLBEHSEOQ-NVXWUHKLSA-N 2 0 352.523 0.975 10 0 FCAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419330687 246100091 /nfs/dbraw/zinc/10/00/91/246100091.db2.gz IGDSIQLSXKYANH-VNFSMLJESA-N 2 0 374.529 0.855 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419371648 246121899 /nfs/dbraw/zinc/12/18/99/246121899.db2.gz JFQLQSPDCOTGGJ-PBHICJAKSA-N 2 0 358.486 0.316 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000419502352 246184086 /nfs/dbraw/zinc/18/40/86/246184086.db2.gz CTQVOTZVIFBXEO-VNPUNGKLSA-N 2 0 350.507 0.809 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000419502348 246184300 /nfs/dbraw/zinc/18/43/00/246184300.db2.gz CTQVOTZVIFBXEO-SSNHOHEISA-N 2 0 350.507 0.809 10 0 FCAERP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000419519416 246189586 /nfs/dbraw/zinc/18/95/86/246189586.db2.gz FTSMPXVBISLWMM-XSCHDIRWSA-N 2 0 354.495 0.452 10 0 FCAERP C[C@@H]1C[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419565868 246203460 /nfs/dbraw/zinc/20/34/60/246203460.db2.gz OQHGKEMUKLCKJU-NVXWUHKLSA-N 2 0 358.486 0.868 10 0 FCAERP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CCSC1 ZINC000419593706 246211991 /nfs/dbraw/zinc/21/19/91/246211991.db2.gz YCKXLFAJYZUCDE-RHSMWYFYSA-N 2 0 350.488 0.356 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419538374 246197647 /nfs/dbraw/zinc/19/76/47/246197647.db2.gz XBMPCPOQVZTGEL-FZCLSBEQSA-N 2 0 358.486 0.737 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419538695 246197878 /nfs/dbraw/zinc/19/78/78/246197878.db2.gz XJPSKBJHMKSCIY-NXHRZFHOSA-N 2 0 358.486 0.881 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419696523 246253617 /nfs/dbraw/zinc/25/36/17/246253617.db2.gz VJBXOFUHMNIJNI-LSDHHAIUSA-N 2 0 368.547 0.578 10 0 FCAERP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419830939 246309722 /nfs/dbraw/zinc/30/97/22/246309722.db2.gz QXGVOMLWLYKCQS-SJORKVTESA-N 2 0 359.474 0.421 10 0 FCAERP C[NH2+]CCNC(=O)C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000419878603 246345847 /nfs/dbraw/zinc/34/58/47/246345847.db2.gz RZEIDUUVNJIUFS-UHFFFAOYSA-N 2 0 368.865 0.199 10 0 FCAERP CN(C(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419906893 246362062 /nfs/dbraw/zinc/36/20/62/246362062.db2.gz AWCFKHBNJUDFKB-SJLPKXTDSA-N 2 0 358.486 0.835 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000420103897 246469727 /nfs/dbraw/zinc/46/97/27/246469727.db2.gz PYPUDRDSUKRGPB-KCXAZCMYSA-N 2 0 350.438 0.659 10 0 FCAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420120252 246478334 /nfs/dbraw/zinc/47/83/34/246478334.db2.gz JSWXLSGJQBSARY-YOEHRIQHSA-N 2 0 364.465 0.830 10 0 FCAERP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000420464764 246565502 /nfs/dbraw/zinc/56/55/02/246565502.db2.gz YALYCGOAHITXAQ-UHFFFAOYSA-N 2 0 363.867 0.800 10 0 FCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000423689275 247110376 /nfs/dbraw/zinc/11/03/76/247110376.db2.gz XMVKDQHRAGYKLN-WBVHZDCISA-N 2 0 359.474 0.355 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000423609589 247075316 /nfs/dbraw/zinc/07/53/16/247075316.db2.gz MCJQQRHIPIWDJP-INIZCTEOSA-N 2 0 358.486 0.930 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423698190 247114720 /nfs/dbraw/zinc/11/47/20/247114720.db2.gz ONYUXRMQPICEJU-CABCVRRESA-N 2 0 373.457 0.092 10 0 FCAERP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1C[NH3+] ZINC000423721761 247125748 /nfs/dbraw/zinc/12/57/48/247125748.db2.gz FFPXYGFNDBXVQV-NVXWUHKLSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@@H]1CC2(CN1C(=O)C(=O)NCc1ccc3c[nH+]cn3c1)CC[NH2+]CC2 ZINC000424554153 247262138 /nfs/dbraw/zinc/26/21/38/247262138.db2.gz RVAKATHTDXNLLA-CQSZACIVSA-N 2 0 355.442 0.941 10 0 FCAERP CN1CC[C@H](CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1=O ZINC000425833457 247399576 /nfs/dbraw/zinc/39/95/76/247399576.db2.gz DIKXNKRAIMNSNX-INIZCTEOSA-N 2 0 355.527 0.770 10 0 FCAERP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000469971591 250014531 /nfs/dbraw/zinc/01/45/31/250014531.db2.gz FVXYLUXBLOMRBH-IBGZPJMESA-N 2 0 359.518 0.804 10 0 FCAERP CCn1cncc1S(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000481865872 250369119 /nfs/dbraw/zinc/36/91/19/250369119.db2.gz MWMLNUXDIIRDEQ-OAHLLOKOSA-N 2 0 357.524 0.940 10 0 FCAERP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1=O ZINC000073009979 208046304 /nfs/dbraw/zinc/04/63/04/208046304.db2.gz IZRPYVAKANMPRZ-ZWKOTPCHSA-N 2 0 360.502 0.686 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000083231521 208104456 /nfs/dbraw/zinc/10/44/56/208104456.db2.gz RKNJERLLLPHXQU-QGZVFWFLSA-N 2 0 354.495 0.603 10 0 FCAERP Cn1cc(C(N)=O)cc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000120942961 208392960 /nfs/dbraw/zinc/39/29/60/208392960.db2.gz GFOQWPVBCMCAER-UHFFFAOYSA-N 2 0 361.490 0.804 10 0 FCAERP O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000178623705 209054976 /nfs/dbraw/zinc/05/49/76/209054976.db2.gz SCTYBXSGEJKCAZ-GOSISDBHSA-N 2 0 364.534 0.918 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000179966740 209088500 /nfs/dbraw/zinc/08/85/00/209088500.db2.gz MDJKIHULRPGMID-HNNXBMFYSA-N 2 0 362.478 0.641 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(CCCO)CC2)C1 ZINC000363716547 488878227 /nfs/dbraw/zinc/87/82/27/488878227.db2.gz YANMVGNOVVYFCZ-SFHVURJKSA-N 2 0 355.523 0.944 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000186371682 488406276 /nfs/dbraw/zinc/40/62/76/488406276.db2.gz HZKKIUSVVVDKBR-IAGOWNOFSA-N 2 0 370.538 0.972 10 0 FCAERP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@H]3[C@@H](CCC[NH+]3C)C1)c(=O)n2C ZINC000247350671 488484910 /nfs/dbraw/zinc/48/49/10/488484910.db2.gz YCHPXVWVKWHJLF-GJZGRUSLSA-N 2 0 374.489 0.240 10 0 FCAERP C[C@H](O)C[NH+]1CCN(C/C=C/CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)C[C@H]1C ZINC000247606985 488488934 /nfs/dbraw/zinc/48/89/34/488488934.db2.gz LUHGJKTZTGQXFT-MIIYPZDFSA-N 2 0 368.566 0.316 10 0 FCAERP CC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC[N@@H+]1C[C@@H](C)O ZINC000248451329 488496721 /nfs/dbraw/zinc/49/67/21/488496721.db2.gz JQTHFWDZSJGGKX-KURKYZTESA-N 2 0 370.538 0.830 10 0 FCAERP C[C@@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+](C)C)C2)[C@@H](C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000249452891 488510013 /nfs/dbraw/zinc/51/00/13/488510013.db2.gz OXQWMKXXKXGFFZ-PFJGLKMASA-N 2 0 364.534 0.974 10 0 FCAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000250346823 488515857 /nfs/dbraw/zinc/51/58/57/488515857.db2.gz YWAKLBOLNMJPIF-CEXWTWQISA-N 2 0 354.539 0.170 10 0 FCAERP CC[NH+]1CCN(CCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112403691 488534242 /nfs/dbraw/zinc/53/42/42/488534242.db2.gz OPIGULHPTSASNE-UHFFFAOYSA-N 2 0 360.506 0.201 10 0 FCAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000262045107 488547949 /nfs/dbraw/zinc/54/79/49/488547949.db2.gz QNBKOWQWJYYFHC-NUJGCVRESA-N 2 0 352.523 0.757 10 0 FCAERP COc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c(OC)c1OC ZINC000562983935 491205244 /nfs/dbraw/zinc/20/52/44/491205244.db2.gz BLDKBYSUXAJTJG-HNNXBMFYSA-N 2 0 353.463 0.410 10 0 FCAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H](C)N2CCOCC2)C[C@H]1CC ZINC000117031469 488549877 /nfs/dbraw/zinc/54/98/77/488549877.db2.gz MQTHNCWGFVSEHC-IAGOWNOFSA-N 2 0 356.511 0.849 10 0 FCAERP CCOCC[N@@H+]1CCN(C(=O)NCCCN2CCOCC2)C[C@H]1CC ZINC000117023428 488550165 /nfs/dbraw/zinc/55/01/65/488550165.db2.gz ZGMGLJXNBBUJRS-QGZVFWFLSA-N 2 0 356.511 0.851 10 0 FCAERP CC[C@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@@H+]1CCOC ZINC000117475882 488551232 /nfs/dbraw/zinc/55/12/32/488551232.db2.gz GBBSLOJBIHGPQM-SFHVURJKSA-N 2 0 369.554 0.765 10 0 FCAERP COc1cccc([C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)N(C)C)c1 ZINC000562985238 491205796 /nfs/dbraw/zinc/20/57/96/491205796.db2.gz KPJRZQJNUMMCMW-HKUYNNGSSA-N 2 0 350.507 0.496 10 0 FCAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000272123659 488563732 /nfs/dbraw/zinc/56/37/32/488563732.db2.gz SUROVFZWBHAVAX-UONOGXRCSA-N 2 0 362.478 0.096 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000121029032 488564441 /nfs/dbraw/zinc/56/44/41/488564441.db2.gz YAIVQUMIDWFELH-UHFFFAOYSA-N 2 0 364.494 0.889 10 0 FCAERP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC(C)(C(N)=O)C1 ZINC000563066078 491211925 /nfs/dbraw/zinc/21/19/25/491211925.db2.gz IMSHCIMTUPPBPT-OAHLLOKOSA-N 2 0 358.486 0.963 10 0 FCAERP CC(C)C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)NCC[NH+](C)C ZINC000132674011 488655027 /nfs/dbraw/zinc/65/50/27/488655027.db2.gz UTQINLFNNBDVAJ-CABCVRRESA-N 2 0 358.552 0.632 10 0 FCAERP CC[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000136944417 488679509 /nfs/dbraw/zinc/67/95/09/488679509.db2.gz VRFPNJVGNVTTCX-INIZCTEOSA-N 2 0 355.527 0.862 10 0 FCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151699844 488709198 /nfs/dbraw/zinc/70/91/98/488709198.db2.gz SKJLBFVTWAHXFX-AWEZNQCLSA-N 2 0 352.483 0.476 10 0 FCAERP O=C(CSCC(=O)N1CC[NH+]2CCC[C@H]2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171756894 488826868 /nfs/dbraw/zinc/82/68/68/488826868.db2.gz YVWIMAJADNGYAV-IYBDPMFKSA-N 2 0 366.531 0.333 10 0 FCAERP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000175803584 488855649 /nfs/dbraw/zinc/85/56/49/488855649.db2.gz OPAJPBQWXBKMQV-IAGOWNOFSA-N 2 0 355.527 0.232 10 0 FCAERP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000176323926 488858246 /nfs/dbraw/zinc/85/82/46/488858246.db2.gz HWFLNAWABAKBGC-HNNXBMFYSA-N 2 0 374.551 0.048 10 0 FCAERP CC[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@@H+]1CCOC ZINC000179315999 488861045 /nfs/dbraw/zinc/86/10/45/488861045.db2.gz GVZGIBRXEWLCCE-QGZVFWFLSA-N 2 0 369.554 0.765 10 0 FCAERP CC[NH+](CC)CCS(=O)(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000570439611 491240651 /nfs/dbraw/zinc/24/06/51/491240651.db2.gz XLDYXXDYKSQYFW-UHFFFAOYSA-N 2 0 369.535 0.595 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000563452301 491248992 /nfs/dbraw/zinc/24/89/92/491248992.db2.gz UWENHUZBPZNLAS-QGZVFWFLSA-N 2 0 363.506 0.633 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000563452572 491248996 /nfs/dbraw/zinc/24/89/96/491248996.db2.gz XVQHHGDPVTZCKK-HNNXBMFYSA-N 2 0 353.511 0.808 10 0 FCAERP CN(CC1CC1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000286032391 489348250 /nfs/dbraw/zinc/34/82/50/489348250.db2.gz REPKSWKFBPBGJH-UHFFFAOYSA-N 2 0 359.474 0.578 10 0 FCAERP COC(=O)c1ccc(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c(OC)c1 ZINC000563618443 491258690 /nfs/dbraw/zinc/25/86/90/491258690.db2.gz UMXIRWYDYIUCNE-QGZVFWFLSA-N 2 0 365.474 0.222 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](CCC(N)=O)C2)C1 ZINC000363599775 489482494 /nfs/dbraw/zinc/48/24/94/489482494.db2.gz GQKQUKQNVBDXOM-IAGOWNOFSA-N 2 0 368.522 0.437 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000423086805 489491971 /nfs/dbraw/zinc/49/19/71/489491971.db2.gz OEOAQECDQBHDKZ-WBVHZDCISA-N 2 0 350.507 0.764 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)o1 ZINC000423163643 489498819 /nfs/dbraw/zinc/49/88/19/489498819.db2.gz NDPBIMDHBAKXCN-NVXWUHKLSA-N 2 0 362.474 0.689 10 0 FCAERP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000423225406 489505250 /nfs/dbraw/zinc/50/52/50/489505250.db2.gz MQWNTHQHFMPDOV-HOTGVXAUSA-N 2 0 352.479 0.040 10 0 FCAERP CN(C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000423273634 489509776 /nfs/dbraw/zinc/50/97/76/489509776.db2.gz LGPFQRGQXXJVFC-FGTMMUONSA-N 2 0 356.470 0.635 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@H]3C)c2)CC1 ZINC000415623219 489538301 /nfs/dbraw/zinc/53/83/01/489538301.db2.gz ZHJNUKYTLGZSEO-QAPCUYQASA-N 2 0 373.501 0.881 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000452108184 489546879 /nfs/dbraw/zinc/54/68/79/489546879.db2.gz DLEHUOJXSXNUEN-ZWKOTPCHSA-N 2 0 354.539 0.874 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000415772383 489551499 /nfs/dbraw/zinc/55/14/99/489551499.db2.gz TYBNFMMQTMYSFG-PBHICJAKSA-N 2 0 360.458 0.776 10 0 FCAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000563694178 491263690 /nfs/dbraw/zinc/26/36/90/491263690.db2.gz CDULPFFUANYCFA-QFBILLFUSA-N 2 0 350.507 0.825 10 0 FCAERP CC[NH+](CC)CCSCC(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000456759960 489623818 /nfs/dbraw/zinc/62/38/18/489623818.db2.gz WBCPFBRBKVKLTC-MRXNPFEDSA-N 2 0 370.563 0.874 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417417233 489652018 /nfs/dbraw/zinc/65/20/18/489652018.db2.gz AGTHMOAJQRVMEX-OWCLPIDISA-N 2 0 351.495 0.465 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417435712 489653650 /nfs/dbraw/zinc/65/36/50/489653650.db2.gz ZCGQQHMUGMNHEO-LPHOPBHVSA-N 2 0 365.522 0.714 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417435718 489653678 /nfs/dbraw/zinc/65/36/78/489653678.db2.gz ZCGQQHMUGMNHEO-VQIMIIECSA-N 2 0 365.522 0.714 10 0 FCAERP C[NH+](C)CCCOc1ccc(CNC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000417475837 489655713 /nfs/dbraw/zinc/65/57/13/489655713.db2.gz BRCYEGFUWGYVQJ-UHFFFAOYSA-N 2 0 362.474 0.901 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)[C@H](C)C1 ZINC000417672173 489661173 /nfs/dbraw/zinc/66/11/73/489661173.db2.gz RVPGZDZISOCHAZ-HZPDHXFCSA-N 2 0 354.495 0.507 10 0 FCAERP Cn1cnc(CCNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000458101470 489670017 /nfs/dbraw/zinc/67/00/17/489670017.db2.gz IAJHELWSGOEXII-UHFFFAOYSA-N 2 0 371.489 0.869 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000418555944 489706780 /nfs/dbraw/zinc/70/67/80/489706780.db2.gz DYBUHFWZOJIMDR-UGUYLWEFSA-N 2 0 351.495 0.274 10 0 FCAERP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418672860 489717252 /nfs/dbraw/zinc/71/72/52/489717252.db2.gz NHTSNTQBQWRQIT-ABHNRTSZSA-N 2 0 367.538 0.349 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)C(=O)NCC[NH+](C)C ZINC000418770033 489724634 /nfs/dbraw/zinc/72/46/34/489724634.db2.gz SHQGIAODWAWKGG-QWHCGFSZSA-N 2 0 363.453 0.375 10 0 FCAERP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418833093 489745408 /nfs/dbraw/zinc/74/54/08/489745408.db2.gz ZUVODVURIPGGTH-XLIONFOSSA-N 2 0 358.486 0.978 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000418859849 489761118 /nfs/dbraw/zinc/76/11/18/489761118.db2.gz LGYRVUWWMBVBRL-KRWDZBQOSA-N 2 0 362.474 0.625 10 0 FCAERP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418859828 489761268 /nfs/dbraw/zinc/76/12/68/489761268.db2.gz LDLVMFUEJCDHIA-KSZLIROESA-N 2 0 356.470 0.730 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000418861111 489762348 /nfs/dbraw/zinc/76/23/48/489762348.db2.gz DKAHIUJPUWMWPW-ZFWWWQNUSA-N 2 0 354.495 0.454 10 0 FCAERP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418861757 489762771 /nfs/dbraw/zinc/76/27/71/489762771.db2.gz NLLVWOVPYVETLO-SJLPKXTDSA-N 2 0 358.486 0.883 10 0 FCAERP CCN1CC[C@@H](NC(=O)C(=O)NCCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418865956 489764780 /nfs/dbraw/zinc/76/47/80/489764780.db2.gz MADGSXJRRHMWPJ-UKRRQHHQSA-N 2 0 372.391 0.820 10 0 FCAERP CCN1CC[C@H](NC(=O)C(=O)N(C)CC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418866116 489765126 /nfs/dbraw/zinc/76/51/26/489765126.db2.gz MOVTWTANGHJJHG-ZFWWWQNUSA-N 2 0 372.391 0.773 10 0 FCAERP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418918627 489791157 /nfs/dbraw/zinc/79/11/57/489791157.db2.gz ZQPHDSZICXCWJW-WKPIXPDZSA-N 2 0 354.401 0.680 10 0 FCAERP C[C@@H]1C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490987839 489791529 /nfs/dbraw/zinc/79/15/29/489791529.db2.gz NITDQDVEIJCFCL-KURKYZTESA-N 2 0 372.579 0.616 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C3CCC3)CC2)C1 ZINC000376765357 489792914 /nfs/dbraw/zinc/79/29/14/489792914.db2.gz QKHLCZJSNNTSOY-GOSISDBHSA-N 2 0 352.523 0.630 10 0 FCAERP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccco1 ZINC000418950168 489801376 /nfs/dbraw/zinc/80/13/76/489801376.db2.gz VUURKRVDNYQZIT-RBSFLKMASA-N 2 0 350.463 0.893 10 0 FCAERP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000418965335 489806544 /nfs/dbraw/zinc/80/65/44/489806544.db2.gz OPUJLZXPGKCHCS-OAHLLOKOSA-N 2 0 350.438 0.714 10 0 FCAERP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419990611 489874920 /nfs/dbraw/zinc/87/49/20/489874920.db2.gz CQOXCKWOCOVHFE-CEXWTWQISA-N 2 0 370.497 0.835 10 0 FCAERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420007675 489880110 /nfs/dbraw/zinc/88/01/10/489880110.db2.gz ZVWUGGIBTDZCNK-KRWDZBQOSA-N 2 0 364.465 0.974 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420058337 489897031 /nfs/dbraw/zinc/89/70/31/489897031.db2.gz JRIZVOMXUYXOBC-GDBMZVCRSA-N 2 0 368.522 0.796 10 0 FCAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000420105471 489914005 /nfs/dbraw/zinc/91/40/05/489914005.db2.gz SKTWKFBXAQHSQU-SJLPKXTDSA-N 2 0 360.502 0.999 10 0 FCAERP CCO[C@H]1C[C@]([NH3+])(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C1(C)C ZINC000564082961 491287710 /nfs/dbraw/zinc/28/77/10/491287710.db2.gz DMZHUBPMZNGCDH-GETDIDHLSA-N 2 0 352.523 0.852 10 0 FCAERP 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CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000477701391 489985801 /nfs/dbraw/zinc/98/58/01/489985801.db2.gz LAJUSKIKRZCFMC-YOEHRIQHSA-N 2 0 350.507 0.824 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000378320115 490048816 /nfs/dbraw/zinc/04/88/16/490048816.db2.gz OZDJIOFXXUSARZ-DOTOQJQBSA-N 2 0 350.507 0.966 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346205 491302288 /nfs/dbraw/zinc/30/22/88/491302288.db2.gz FEIHHKKTWTVXJK-AZUAARDMSA-N 2 0 366.550 0.877 10 0 FCAERP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CCSC1 ZINC000556200560 491302602 /nfs/dbraw/zinc/30/26/02/491302602.db2.gz FSHOOUVLQQJQCS-JTTJXQCZSA-N 2 0 368.547 0.673 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)N(C)CCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000520605928 490168971 /nfs/dbraw/zinc/16/89/71/490168971.db2.gz GYZZYHFMIRCYCN-IAGOWNOFSA-N 2 0 352.523 0.977 10 0 FCAERP C[C@H](C(=O)N1CC[NH+]2CCC1CC2)[C@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000507872046 490274060 /nfs/dbraw/zinc/27/40/60/490274060.db2.gz BOQFFNZFPYRIQQ-HOTGVXAUSA-N 2 0 362.518 0.872 10 0 FCAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000422470197 490339314 /nfs/dbraw/zinc/33/93/14/490339314.db2.gz FVIZRMMNRROERC-RDJZCZTQSA-N 2 0 355.442 0.893 10 0 FCAERP CN(C(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571657916 491321093 /nfs/dbraw/zinc/32/10/93/491321093.db2.gz QHJWSOSZMAWJOA-KRWDZBQOSA-N 2 0 359.474 0.334 10 0 FCAERP COc1nccnc1C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000449122498 490403169 /nfs/dbraw/zinc/40/31/69/490403169.db2.gz LQVPZQFXTCXRQE-UHFFFAOYSA-N 2 0 357.462 0.967 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000564805272 491327680 /nfs/dbraw/zinc/32/76/80/491327680.db2.gz ZIGNCKGUSAURPI-HNNXBMFYSA-N 2 0 354.495 0.062 10 0 FCAERP COC[C@](C)(CNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000571819340 491331186 /nfs/dbraw/zinc/33/11/86/491331186.db2.gz WUGDVBJMZBWYPE-GJYPPUQNSA-N 2 0 368.522 0.308 10 0 FCAERP CCNC(=O)c1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000413095840 490498833 /nfs/dbraw/zinc/49/88/33/490498833.db2.gz AIPVTLKNDAYMFZ-UHFFFAOYSA-N 2 0 369.473 1.246 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423057938 490532041 /nfs/dbraw/zinc/53/20/41/490532041.db2.gz IODIQPWOZVHJMM-QRVBRYPASA-N 2 0 370.497 0.930 10 0 FCAERP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423056122 490532105 /nfs/dbraw/zinc/53/21/05/490532105.db2.gz FBACLMQXRISZGT-QZTJIDSGSA-N 2 0 358.486 0.930 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423067072 490534612 /nfs/dbraw/zinc/53/46/12/490534612.db2.gz GEPNBVYFVMYWSY-XLIONFOSSA-N 2 0 358.486 0.917 10 0 FCAERP CN(C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423066306 490534751 /nfs/dbraw/zinc/53/47/51/490534751.db2.gz DLDFEGJABQLKCH-ZWKOTPCHSA-N 2 0 374.485 0.296 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501581086 490617903 /nfs/dbraw/zinc/61/79/03/490617903.db2.gz FGYPPTCRPGNTAD-HZPDHXFCSA-N 2 0 368.522 0.450 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000511980582 490647778 /nfs/dbraw/zinc/64/77/78/490647778.db2.gz DQCDRPCSGXQPGA-GTPINHCMSA-N 2 0 350.507 0.920 10 0 FCAERP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)COC2CCC([NH3+])CC2)c1 ZINC000564982731 491342996 /nfs/dbraw/zinc/34/29/96/491342996.db2.gz WZNZGOZZSOLGCF-UHFFFAOYSA-N 2 0 370.475 0.149 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000526132201 490678853 /nfs/dbraw/zinc/67/88/53/490678853.db2.gz DCAJXZKVZBJIET-UHFFFAOYSA-N 2 0 368.428 0.806 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000505817494 490840887 /nfs/dbraw/zinc/84/08/87/490840887.db2.gz IPSDPGCFDRAVCN-AWEZNQCLSA-N 2 0 367.494 0.191 10 0 FCAERP COc1cc([C@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)ccc1OCCO ZINC000516438471 490863745 /nfs/dbraw/zinc/86/37/45/490863745.db2.gz ULDIEFVGRBLXJC-RDJZCZTQSA-N 2 0 367.490 0.325 10 0 FCAERP COc1cc([C@@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)ccc1OCCO ZINC000516438472 490863759 /nfs/dbraw/zinc/86/37/59/490863759.db2.gz ULDIEFVGRBLXJC-WBVHZDCISA-N 2 0 367.490 0.325 10 0 FCAERP COc1ccc(CN2CC[C@H]2C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000530240779 490895249 /nfs/dbraw/zinc/89/52/49/490895249.db2.gz NQQVFQDYQYRNOV-RBUKOAKNSA-N 2 0 362.518 0.467 10 0 FCAERP CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000530240730 490895363 /nfs/dbraw/zinc/89/53/63/490895363.db2.gz MTLFMZWTFASNKX-SJORKVTESA-N 2 0 359.536 0.749 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000517567576 490912740 /nfs/dbraw/zinc/91/27/40/490912740.db2.gz MUBXORAAIKVAMY-SIIHOXLZSA-N 2 0 356.470 0.813 10 0 FCAERP CCN(CC)C(=O)c1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000572356355 491364588 /nfs/dbraw/zinc/36/45/88/491364588.db2.gz HAMCDPPBINDOTF-IBGZPJMESA-N 2 0 362.518 0.867 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000565248562 491364825 /nfs/dbraw/zinc/36/48/25/491364825.db2.gz AESVLHAMRHXGQH-UHFFFAOYSA-N 2 0 353.511 0.713 10 0 FCAERP C(CC[NH+]1CCN2CCOC[C@H]2C1)CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000544530852 490971378 /nfs/dbraw/zinc/97/13/78/490971378.db2.gz VMOZHPBZUKOJMS-RTBURBONSA-N 2 0 352.523 0.190 10 0 FCAERP C[C@H]1CN(CCO)CCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000519525356 490973901 /nfs/dbraw/zinc/97/39/01/490973901.db2.gz PYXPVUOQPHLSQO-INIZCTEOSA-N 2 0 361.490 0.754 10 0 FCAERP O=C(CNC(=O)N1CC[NH+]2CCC1CC2)NCC[NH+]1CCCCCC1 ZINC000562405066 491164073 /nfs/dbraw/zinc/16/40/73/491164073.db2.gz PKANOGNTSKRFLN-UHFFFAOYSA-N 2 0 351.495 0.468 10 0 FCAERP Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000565363502 491372343 /nfs/dbraw/zinc/37/23/43/491372343.db2.gz YPBQKKNYLBWBQR-OKILXGFUSA-N 2 0 373.436 0.980 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000557491329 491377452 /nfs/dbraw/zinc/37/74/52/491377452.db2.gz CQZJSXAUGZMCLT-DOTOQJQBSA-N 2 0 368.522 0.402 10 0 FCAERP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000565534835 491382490 /nfs/dbraw/zinc/38/24/90/491382490.db2.gz ISLTWVYZYBIRAX-HNNXBMFYSA-N 2 0 353.463 0.410 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)[C@H](C)C1 ZINC000660286455 493339147 /nfs/dbraw/zinc/33/91/47/493339147.db2.gz ZLSXERXHIXEZJC-HZPDHXFCSA-N 2 0 368.522 0.090 10 0 FCAERP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000565711648 491394831 /nfs/dbraw/zinc/39/48/31/491394831.db2.gz FMKJJBMGZGDHCN-GOSISDBHSA-N 3 0 350.507 0.325 10 0 FCAERP COc1ccccc1N1CC[C@@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000565712227 491394970 /nfs/dbraw/zinc/39/49/70/491394970.db2.gz NWBQETLMFIGLIP-ZWKOTPCHSA-N 2 0 362.518 0.719 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000565780865 491398983 /nfs/dbraw/zinc/39/89/83/491398983.db2.gz OJBTZGNEQYQSMW-LJQANCHMSA-N 2 0 366.506 0.158 10 0 FCAERP O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000566062708 491415273 /nfs/dbraw/zinc/41/52/73/491415273.db2.gz GNJNTEMESIZGDN-QGZVFWFLSA-N 2 0 369.473 0.992 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNc2ncc(Cl)cc2Cl)CC1 ZINC000566105207 491417880 /nfs/dbraw/zinc/41/78/80/491417880.db2.gz DVAGBOXNSIDLIW-ZDUSSCGKSA-N 2 0 362.305 0.998 10 0 FCAERP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000558442657 491431215 /nfs/dbraw/zinc/43/12/15/491431215.db2.gz MRQSBFBBTFHAOC-YOEHRIQHSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000566508361 491450068 /nfs/dbraw/zinc/45/00/68/491450068.db2.gz ILPXZOUANWIURP-LSDHHAIUSA-N 2 0 353.511 0.664 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)[C@@H](C)C1 ZINC000566704674 491462031 /nfs/dbraw/zinc/46/20/31/491462031.db2.gz XFLVNEWHRCEYEW-HWMZRRJGSA-N 2 0 350.507 0.917 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](O)C23CCCC3)C1 ZINC000574021027 491469546 /nfs/dbraw/zinc/46/95/46/491469546.db2.gz LJVGYMYGHNKBAJ-IAGOWNOFSA-N 2 0 353.507 0.839 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000567161562 491489427 /nfs/dbraw/zinc/48/94/27/491489427.db2.gz AVEIJBRRMVECDH-WOJBJXKFSA-N 2 0 374.529 0.418 10 0 FCAERP CN(C)c1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c2ccccc2n1 ZINC000567345879 491500743 /nfs/dbraw/zinc/50/07/43/491500743.db2.gz XNRXGLUAFVCKDO-KRWDZBQOSA-N 2 0 357.502 0.999 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000559901610 491508645 /nfs/dbraw/zinc/50/86/45/491508645.db2.gz CQFKPEVMCQNCMS-MRXNPFEDSA-N 2 0 350.507 0.825 10 0 FCAERP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCc4ccccc4[C@H]3C[NH3+])C2)C1 ZINC000567876359 491536761 /nfs/dbraw/zinc/53/67/61/491536761.db2.gz RNBUYFJTVYBKER-XLIONFOSSA-N 2 0 356.470 0.625 10 0 FCAERP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000673586704 493349097 /nfs/dbraw/zinc/34/90/97/493349097.db2.gz VGZRCZDSMONTDT-ULQDDVLXSA-N 2 0 366.506 0.081 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000575138481 491541483 /nfs/dbraw/zinc/54/14/83/491541483.db2.gz CFJPKTPEQYBPMT-GJZGRUSLSA-N 2 0 353.511 0.603 10 0 FCAERP Cc1nn(C)c(C)c1[C@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])C(F)(F)F ZINC000575233591 491547071 /nfs/dbraw/zinc/54/70/71/491547071.db2.gz OWSSNOUAWCKHKG-YPMHNXCESA-N 2 0 362.400 0.925 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000575808660 491562273 /nfs/dbraw/zinc/56/22/73/491562273.db2.gz HENHCSZOQQAQFS-GOSISDBHSA-N 2 0 360.502 0.863 10 0 FCAERP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000568389984 491573459 /nfs/dbraw/zinc/57/34/59/491573459.db2.gz LUTGURIIAZCPCE-RUEZSYAVSA-N 2 0 351.491 0.874 10 0 FCAERP 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ZINC000625472622 492791642 /nfs/dbraw/zinc/79/16/42/492791642.db2.gz WVRZDJCUONLEDU-KRWDZBQOSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@@H]1[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC(=O)N1Cc1ccccc1 ZINC000644639448 492794051 /nfs/dbraw/zinc/79/40/51/492794051.db2.gz YNJVKCRTMOQGBT-NEWSRXKRSA-N 2 0 360.502 0.374 10 0 FCAERP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CNC(=O)c4ccccc43)C2)CC1 ZINC000625522177 492809622 /nfs/dbraw/zinc/80/96/22/492809622.db2.gz LNOOCCRAVWUUAU-KSSFIOAISA-N 2 0 356.470 0.798 10 0 FCAERP CN1CCO[C@@H](CS(=O)(=O)NCc2ccccc2Cn2ccnc2)C1 ZINC000631724662 492840918 /nfs/dbraw/zinc/84/09/18/492840918.db2.gz BXYLASAPFRNYDD-QGZVFWFLSA-N 2 0 364.471 0.681 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000631910109 492876631 /nfs/dbraw/zinc/87/66/31/492876631.db2.gz XKRDSTQRLLCGHB-ZIAGYGMSSA-N 2 0 359.517 0.793 10 0 FCAERP CC[NH+](CC)[C@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000631912573 492879274 /nfs/dbraw/zinc/87/92/74/492879274.db2.gz PPZKKHRMZSEFHY-ZWKOTPCHSA-N 2 0 369.531 0.847 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631924427 492887067 /nfs/dbraw/zinc/88/70/67/492887067.db2.gz VAZQMDXIPANUOC-DLBZAZTESA-N 2 0 353.488 0.511 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000645290765 492888602 /nfs/dbraw/zinc/88/86/02/492888602.db2.gz OMHXTLGZNCTXFR-LSDHHAIUSA-N 2 0 360.462 0.422 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000631936403 492892171 /nfs/dbraw/zinc/89/21/71/492892171.db2.gz BHHSXPADTHEYGF-UHFFFAOYSA-N 2 0 368.547 0.457 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000631942950 492893826 /nfs/dbraw/zinc/89/38/26/492893826.db2.gz JTTWSCVOOUUEBV-DLBZAZTESA-N 2 0 358.552 0.418 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CCSC1 ZINC000645342700 492895855 /nfs/dbraw/zinc/89/58/55/492895855.db2.gz DBRUNLOCXPZVSN-INIZCTEOSA-N 2 0 356.536 0.930 10 0 FCAERP 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492981754 /nfs/dbraw/zinc/98/17/54/492981754.db2.gz XVQYQYPLPWIWNU-CVEARBPZSA-N 2 0 350.507 0.920 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CNc2ccccc2C1 ZINC000652715601 492999496 /nfs/dbraw/zinc/99/94/96/492999496.db2.gz JMQJMJLMIGWVIX-MRXNPFEDSA-N 2 0 361.490 0.091 10 0 FCAERP [NH3+]C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(F)cc1 ZINC000646009524 493000294 /nfs/dbraw/zinc/00/02/94/493000294.db2.gz PJOUHMFNWCPXMO-QZTJIDSGSA-N 2 0 364.465 0.391 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000632487433 493007448 /nfs/dbraw/zinc/00/74/48/493007448.db2.gz KIDHQHJPBQKXLD-INIZCTEOSA-N 2 0 370.444 0.904 10 0 FCAERP C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000626805716 493022419 /nfs/dbraw/zinc/02/24/19/493022419.db2.gz RMUHRWXRZALBRH-UHFFFAOYSA-N 2 0 360.458 0.955 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658748137 493039955 /nfs/dbraw/zinc/03/99/55/493039955.db2.gz KBWMAPMLASUYNY-WBVHZDCISA-N 2 0 366.506 0.033 10 0 FCAERP [NH3+]CC1(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCOCC1 ZINC000626883684 493049654 /nfs/dbraw/zinc/04/96/54/493049654.db2.gz FURDUTVQMFIOPR-UHFFFAOYSA-N 2 0 374.485 0.888 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)Nc1cnn(-c3cc[nH+]cc3)c1)C2 ZINC000626900970 493056998 /nfs/dbraw/zinc/05/69/98/493056998.db2.gz HAJFPRABABGIHA-HDICACEKSA-N 2 0 354.414 0.664 10 0 FCAERP CCN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658803187 493061307 /nfs/dbraw/zinc/06/13/07/493061307.db2.gz NVKLHIFKELBXAC-CVEARBPZSA-N 2 0 354.495 0.108 10 0 FCAERP CC(C)[NH+](CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C(C)C ZINC000626919541 493062404 /nfs/dbraw/zinc/06/24/04/493062404.db2.gz IFPLJXAJKXKNFT-UHFFFAOYSA-N 2 0 368.526 0.458 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000658820958 493068142 /nfs/dbraw/zinc/06/81/42/493068142.db2.gz HWWHVJNKQICRGG-IKGGRYGDSA-N 2 0 350.507 0.872 10 0 FCAERP CCN(C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000658819756 493068406 /nfs/dbraw/zinc/06/84/06/493068406.db2.gz AMWZCKGQZCRBMU-MRXNPFEDSA-N 2 0 366.506 0.252 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C[NH2+]1 ZINC000626965720 493071394 /nfs/dbraw/zinc/07/13/94/493071394.db2.gz LHIOVFPOYURYGF-PBHICJAKSA-N 2 0 361.490 0.918 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCOCC2)[C@@H](C)C1 ZINC000626979440 493073662 /nfs/dbraw/zinc/07/36/62/493073662.db2.gz BOYROBBLDKSYGJ-HOTGVXAUSA-N 2 0 356.511 0.931 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626986173 493075810 /nfs/dbraw/zinc/07/58/10/493075810.db2.gz BKGVMCUCLHJCIS-KRWDZBQOSA-N 2 0 356.511 0.755 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000627012323 493080140 /nfs/dbraw/zinc/08/01/40/493080140.db2.gz XXGDFDWQTQBPMW-SFHVURJKSA-N 2 0 364.490 0.631 10 0 FCAERP C[NH+](C)CCCOc1cnccc1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000627038787 493083749 /nfs/dbraw/zinc/08/37/49/493083749.db2.gz NILNNTSCFCSSBE-UHFFFAOYSA-N 2 0 365.478 0.719 10 0 FCAERP CC1(CNC(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CC[NH2+]CC1 ZINC000627083426 493086346 /nfs/dbraw/zinc/08/63/46/493086346.db2.gz HMEDUFPODNBYDC-QGZVFWFLSA-N 2 0 361.490 0.971 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)C[C@H]1C[NH3+] ZINC000653246938 493086600 /nfs/dbraw/zinc/08/66/00/493086600.db2.gz FCCSSRGZYFHQQM-VVLHAWIVSA-N 2 0 366.506 0.141 10 0 FCAERP CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000633001418 493101614 /nfs/dbraw/zinc/10/16/14/493101614.db2.gz ILUXNJGIKXUQFH-UHFFFAOYSA-N 2 0 350.467 0.593 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cn2)CC1 ZINC000633005638 493102378 /nfs/dbraw/zinc/10/23/78/493102378.db2.gz LWPRPWXBMDJORS-RRQGHBQHSA-N 2 0 374.489 0.674 10 0 FCAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000627226863 493110259 /nfs/dbraw/zinc/11/02/59/493110259.db2.gz SXLRMVJYKSYUTM-HRCADAONSA-N 2 0 351.495 0.370 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633085900 493118556 /nfs/dbraw/zinc/11/85/56/493118556.db2.gz GZXZBGIKKFSPEQ-JKSUJKDBSA-N 2 0 354.495 0.286 10 0 FCAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000633089517 493120514 /nfs/dbraw/zinc/12/05/14/493120514.db2.gz MUXXAPZQYOGHAO-SJLPKXTDSA-N 2 0 360.502 0.938 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CC[C@H](C[NH2+]C)C2)CC1 ZINC000633104825 493127650 /nfs/dbraw/zinc/12/76/50/493127650.db2.gz DNCWUAWRLDOZJJ-MRXNPFEDSA-N 2 0 350.507 0.921 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000633110443 493130760 /nfs/dbraw/zinc/13/07/60/493130760.db2.gz VUFSRDZYJXJOLT-INIZCTEOSA-N 2 0 366.506 0.430 10 0 FCAERP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633109537 493131089 /nfs/dbraw/zinc/13/10/89/493131089.db2.gz OXDVRFRQTWJYIM-MRXNPFEDSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[NH+]1CCCC1 ZINC000659070902 493138324 /nfs/dbraw/zinc/13/83/24/493138324.db2.gz DHKRHZXCNLMKRV-PBHICJAKSA-N 2 0 360.458 0.887 10 0 FCAERP C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659071194 493138822 /nfs/dbraw/zinc/13/88/22/493138822.db2.gz HYGCMIBRHURJLA-KRWDZBQOSA-N 2 0 360.458 0.839 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccccc1 ZINC000627297320 493139396 /nfs/dbraw/zinc/13/93/96/493139396.db2.gz HJWZLFIWWBVQJB-ULQDDVLXSA-N 2 0 356.470 0.949 10 0 FCAERP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659076302 493140848 /nfs/dbraw/zinc/14/08/48/493140848.db2.gz LHJQJBHWGVLMDR-DLBZAZTESA-N 2 0 360.458 0.839 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1C ZINC000659077943 493142113 /nfs/dbraw/zinc/14/21/13/493142113.db2.gz GBFXDOLQWDPWRJ-XOKHGSTOSA-N 2 0 360.458 0.885 10 0 FCAERP C[C@@H](CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[N@H+](C)C1CC1 ZINC000659078388 493142289 /nfs/dbraw/zinc/14/22/89/493142289.db2.gz IDRJPSSHYABGGE-SUMWQHHRSA-N 2 0 360.458 0.885 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[NH2+]1 ZINC000627305036 493143183 /nfs/dbraw/zinc/14/31/83/493143183.db2.gz MHRNVHOIJBAWSD-IUODEOHRSA-N 2 0 350.438 0.760 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)CCOCC1 ZINC000627310001 493145044 /nfs/dbraw/zinc/14/50/44/493145044.db2.gz GCGNZDXIPWTAOC-UHFFFAOYSA-N 2 0 374.485 0.523 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627312404 493146861 /nfs/dbraw/zinc/14/68/61/493146861.db2.gz XUNKQOYCDYZUCF-OWCLPIDISA-N 2 0 356.511 0.163 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000627325818 493154700 /nfs/dbraw/zinc/15/47/00/493154700.db2.gz VKDLAMMNSKPWJL-OFQRWUPVSA-N 2 0 364.515 0.943 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627328402 493155504 /nfs/dbraw/zinc/15/55/04/493155504.db2.gz AIHVMUVTDNEYKO-HOTGVXAUSA-N 2 0 350.507 0.871 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000627334824 493158706 /nfs/dbraw/zinc/15/87/06/493158706.db2.gz BNOLONVSADPGOU-JCGIZDLHSA-N 2 0 373.501 0.980 10 0 FCAERP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000659113305 493160336 /nfs/dbraw/zinc/16/03/36/493160336.db2.gz DNRMPAZQEQVJEI-QGZVFWFLSA-N 2 0 362.474 0.914 10 0 FCAERP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000627342552 493163117 /nfs/dbraw/zinc/16/31/17/493163117.db2.gz JBDUQVYVRNFWBB-HOCLYGCPSA-N 2 0 364.490 0.004 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[NH2+]1 ZINC000627350605 493169019 /nfs/dbraw/zinc/16/90/19/493169019.db2.gz XMZMTZJRCNAKND-WMLDXEAASA-N 2 0 359.474 0.419 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659440718 493178754 /nfs/dbraw/zinc/17/87/54/493178754.db2.gz JVEAJRVHXBQVSB-HNNXBMFYSA-N 2 0 358.446 0.613 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000659445246 493180088 /nfs/dbraw/zinc/18/00/88/493180088.db2.gz OGOMVWTXFWZASJ-UHFFFAOYSA-N 3 0 358.490 0.726 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627366943 493181025 /nfs/dbraw/zinc/18/10/25/493181025.db2.gz GLIKZPJDPSCHGR-NVXWUHKLSA-N 2 0 374.485 0.247 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627366722 493181725 /nfs/dbraw/zinc/18/17/25/493181725.db2.gz ZUXHAFOUGXQVRE-FGTMMUONSA-N 2 0 358.486 0.881 10 0 FCAERP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000659323658 493190083 /nfs/dbraw/zinc/19/00/83/493190083.db2.gz ZFQCOVPACPDJOE-HNNXBMFYSA-N 2 0 350.463 0.661 10 0 FCAERP C[C@H]1C[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000627388099 493196292 /nfs/dbraw/zinc/19/62/92/493196292.db2.gz KUMPHUZLGVVMEF-RDJZCZTQSA-N 2 0 362.474 0.247 10 0 FCAERP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659492285 493196347 /nfs/dbraw/zinc/19/63/47/493196347.db2.gz BVNFVARRHKCHEC-HUUCEWRRSA-N 2 0 353.442 0.993 10 0 FCAERP O=C(C[C@@H]1COCC[NH2+]1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659372355 493199577 /nfs/dbraw/zinc/19/95/77/493199577.db2.gz ACAYBLYIHVBOKB-QGZVFWFLSA-N 2 0 358.486 0.836 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[NH2+]1 ZINC000627394023 493200518 /nfs/dbraw/zinc/20/05/18/493200518.db2.gz UKVIWDOMSPFHBX-BBRMVZONSA-N 2 0 350.438 0.630 10 0 FCAERP COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+]2CCCC2)cc1 ZINC000627397924 493202059 /nfs/dbraw/zinc/20/20/59/493202059.db2.gz ZBRIKTJCAYPSRI-BMGDILEWSA-N 2 0 374.485 0.815 10 0 FCAERP COCC[NH2+]CCNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000659528960 493206118 /nfs/dbraw/zinc/20/61/18/493206118.db2.gz VTDASTZHJGYMCX-KRWDZBQOSA-N 2 0 350.463 0.288 10 0 FCAERP C[NH+](C)C[C@@H](NC(=O)C(=O)NC1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000627407256 493206365 /nfs/dbraw/zinc/20/63/65/493206365.db2.gz LWDQFLUXWOEHKA-CYBMUJFWSA-N 2 0 359.257 0.800 10 0 FCAERP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627409606 493206388 /nfs/dbraw/zinc/20/63/88/493206388.db2.gz ISKQQDCITSXFDL-HNNXBMFYSA-N 2 0 354.495 0.189 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000627412260 493207257 /nfs/dbraw/zinc/20/72/57/493207257.db2.gz GNBXSVGRZVZGGC-CVEARBPZSA-N 2 0 366.506 0.333 10 0 FCAERP CC1(CNC(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[NH2+]CC1 ZINC000627414792 493207952 /nfs/dbraw/zinc/20/79/52/493207952.db2.gz VZTOGVHBXJFXMB-UHFFFAOYSA-N 2 0 366.506 0.206 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000627416316 493209130 /nfs/dbraw/zinc/20/91/30/493209130.db2.gz UTKWNECCTVZFDH-MRXNPFEDSA-N 2 0 366.506 0.348 10 0 FCAERP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627417948 493209198 /nfs/dbraw/zinc/20/91/98/493209198.db2.gz IRVDHGIMOHINEC-HNNXBMFYSA-N 2 0 354.495 0.333 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000659627613 493222620 /nfs/dbraw/zinc/22/26/20/493222620.db2.gz LDYZZLTUNGVBGK-QGZVFWFLSA-N 2 0 365.522 0.857 10 0 FCAERP Cc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000659670166 493242489 /nfs/dbraw/zinc/24/24/89/493242489.db2.gz AIGFBSMQWBPAPE-OAGGEKHMSA-N 2 0 350.438 0.612 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@H]1F ZINC000659682149 493248652 /nfs/dbraw/zinc/24/86/52/493248652.db2.gz UJMMZMSXYQECOS-IAGOWNOFSA-N 2 0 362.449 0.796 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000659683048 493249752 /nfs/dbraw/zinc/24/97/52/493249752.db2.gz SAHZTXQHGQZBEP-KLHDSHLOSA-N 2 0 372.485 0.137 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000659683261 493250076 /nfs/dbraw/zinc/25/00/76/493250076.db2.gz WVYYJFKGXGWICK-XZZQLLPFSA-N 2 0 366.506 0.108 10 0 FCAERP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659684395 493251942 /nfs/dbraw/zinc/25/19/42/493251942.db2.gz IIHRBQIQYRCEKZ-INIZCTEOSA-N 2 0 362.518 0.968 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000659687058 493253213 /nfs/dbraw/zinc/25/32/13/493253213.db2.gz PRDXTSRXQZXXIT-GNZRSQJKSA-N 2 0 356.470 0.717 10 0 FCAERP C[C@H](CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[N@H+](C)Cc1ccccc1 ZINC000659689381 493254491 /nfs/dbraw/zinc/25/44/91/493254491.db2.gz CBWIPQDCJUYICR-XRTORIHISA-N 2 0 358.486 0.963 10 0 FCAERP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659690120 493255546 /nfs/dbraw/zinc/25/55/46/493255546.db2.gz OGZIPWFSPVDLSY-UHFFFAOYSA-N 2 0 370.497 0.944 10 0 FCAERP C[C@@H](CCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000659691197 493256254 /nfs/dbraw/zinc/25/62/54/493256254.db2.gz UPAPZUWTCGYBBD-USXIJHARSA-N 2 0 364.465 0.911 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659698353 493259284 /nfs/dbraw/zinc/25/92/84/493259284.db2.gz JIGZUYGTKJCJEB-QKPAOTATSA-N 2 0 356.486 0.758 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659698730 493260511 /nfs/dbraw/zinc/26/05/11/493260511.db2.gz KRQFMMZZEAPBRP-JOUKPKRSSA-N 2 0 350.507 0.810 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659700546 493261658 /nfs/dbraw/zinc/26/16/58/493261658.db2.gz NNLNOCKRYJZKCM-ABKMUHTPSA-N 2 0 356.470 0.573 10 0 FCAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659711133 493266908 /nfs/dbraw/zinc/26/69/08/493266908.db2.gz XABWWWUNWDNYGY-KZNAEPCWSA-N 2 0 362.518 0.968 10 0 FCAERP CCC[NH2+]CCNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659715352 493268639 /nfs/dbraw/zinc/26/86/39/493268639.db2.gz ZKZQJGQLJAWUHD-UHFFFAOYSA-N 2 0 354.495 0.109 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)cn1 ZINC000667247186 493268875 /nfs/dbraw/zinc/26/88/75/493268875.db2.gz KUMOQFNCPJFRCO-UHFFFAOYSA-N 2 0 350.467 0.551 10 0 FCAERP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000682103266 493270100 /nfs/dbraw/zinc/27/01/00/493270100.db2.gz XUNXINHWRPDEFK-UHFFFAOYSA-N 2 0 350.467 0.326 10 0 FCAERP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659718608 493270262 /nfs/dbraw/zinc/27/02/62/493270262.db2.gz QFUSVAVWYBYHQE-INIZCTEOSA-N 2 0 368.522 0.483 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659721471 493271689 /nfs/dbraw/zinc/27/16/89/493271689.db2.gz GPLBYOUGMFMWEE-QAPCUYQASA-N 2 0 373.501 0.524 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CCO1 ZINC000659720959 493271975 /nfs/dbraw/zinc/27/19/75/493271975.db2.gz VZDPMDRIRNLKLU-OAHLLOKOSA-N 2 0 354.495 0.062 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659723103 493272896 /nfs/dbraw/zinc/27/28/96/493272896.db2.gz OWEQRQOZBCOCRU-RHSMWYFYSA-N 2 0 366.506 0.108 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659740261 493280413 /nfs/dbraw/zinc/28/04/13/493280413.db2.gz ATNMYGUAXIYHHS-CQSZACIVSA-N 2 0 363.462 0.228 10 0 FCAERP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000659739772 493280525 /nfs/dbraw/zinc/28/05/25/493280525.db2.gz ZXRJHZWRTICPNJ-IRXDYDNUSA-N 2 0 350.507 0.825 10 0 FCAERP CN(C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000682232726 493281724 /nfs/dbraw/zinc/28/17/24/493281724.db2.gz LKWCGEAWRMOMAN-INIZCTEOSA-N 2 0 354.414 0.901 10 0 FCAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742927 493282316 /nfs/dbraw/zinc/28/23/16/493282316.db2.gz WFBORZQXFKIUJZ-UHFFFAOYSA-N 2 0 358.486 0.965 10 0 FCAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)C2)CC1 ZINC000659743294 493282567 /nfs/dbraw/zinc/28/25/67/493282567.db2.gz GECUPMJFOOKJGA-VXESANQCSA-N 2 0 362.518 0.825 10 0 FCAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659744217 493282622 /nfs/dbraw/zinc/28/26/22/493282622.db2.gz SAORZFWDJPKMOT-JFBVMJNESA-N 2 0 362.518 0.968 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000682290383 493288056 /nfs/dbraw/zinc/28/80/56/493288056.db2.gz GAQJJYWGTSQHSU-HOCLYGCPSA-N 2 0 364.494 0.572 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cn1 ZINC000674285181 493405450 /nfs/dbraw/zinc/40/54/50/493405450.db2.gz SGKFPBZMIOGWHC-HNNXBMFYSA-N 2 0 350.467 0.631 10 0 FCAERP CC(C[NH+]1CC[C@H](Cn2ccnn2)C1)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661145609 493411735 /nfs/dbraw/zinc/41/17/35/493411735.db2.gz MQUXMAHCLWTLGS-ROUUACIJSA-N 2 0 358.494 0.850 10 0 FCAERP COC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CCOCC1 ZINC000661159088 493414149 /nfs/dbraw/zinc/41/41/49/493414149.db2.gz DPZFGXGQZFRALB-MSOLQXFVSA-N 2 0 371.522 0.491 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)C1CCCC1 ZINC000668830755 493418330 /nfs/dbraw/zinc/41/83/30/493418330.db2.gz KTSAKKIAPMLXEB-KRWDZBQOSA-N 2 0 366.506 0.035 10 0 FCAERP CCN(C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CC[N@H+](C)C1 ZINC000669070157 493460679 /nfs/dbraw/zinc/46/06/79/493460679.db2.gz VNOZNBNQPVHYSI-SFHVURJKSA-N 2 0 372.513 0.754 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000675090530 493466750 /nfs/dbraw/zinc/46/67/50/493466750.db2.gz ZEMGMZHEHIRWIQ-INIZCTEOSA-N 2 0 354.495 0.202 10 0 FCAERP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](CCCN2CCOCC2)C1 ZINC000662338457 493508118 /nfs/dbraw/zinc/50/81/18/493508118.db2.gz RSGKONGBGLOJKL-QGZVFWFLSA-N 2 0 362.522 0.721 10 0 FCAERP C[C@@H]1C[N@@H+](CCCNC(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000662368558 493510485 /nfs/dbraw/zinc/51/04/85/493510485.db2.gz VSMSQVGQTJPPBC-OKILXGFUSA-N 2 0 350.467 0.432 10 0 FCAERP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000676089265 493522566 /nfs/dbraw/zinc/52/25/66/493522566.db2.gz DOIFOLOMOYQJIK-HUUCEWRRSA-N 2 0 364.494 0.762 10 0 FCAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000676093105 493523402 /nfs/dbraw/zinc/52/34/02/493523402.db2.gz FDGKYLOSPJSWSW-MRXNPFEDSA-N 2 0 354.414 0.903 10 0 FCAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000676095333 493523966 /nfs/dbraw/zinc/52/39/66/493523966.db2.gz LVAFHHXFVBLSKN-CQSZACIVSA-N 2 0 354.414 0.806 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)cn1 ZINC000676096073 493524186 /nfs/dbraw/zinc/52/41/86/493524186.db2.gz RKQLDJNQAWVQSZ-UHFFFAOYSA-N 2 0 350.467 0.231 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[N@@H+]1C1CC1 ZINC000676099191 493525210 /nfs/dbraw/zinc/52/52/10/493525210.db2.gz LKVCYXBPPUCAOL-OLZOCXBDSA-N 2 0 354.414 0.947 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CCSC1 ZINC000662682777 493531641 /nfs/dbraw/zinc/53/16/41/493531641.db2.gz 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FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CCO1 ZINC000662971954 493562427 /nfs/dbraw/zinc/56/24/27/493562427.db2.gz GXSCPXDSSGWNKA-GJZGRUSLSA-N 2 0 350.467 0.213 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)[C@H](C[NH3+])C1 ZINC000662980145 493563411 /nfs/dbraw/zinc/56/34/11/493563411.db2.gz DPJQBHWKIZSANI-OWCLPIDISA-N 2 0 354.495 0.141 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[N@@H+]1C ZINC000663016123 493566609 /nfs/dbraw/zinc/56/66/09/493566609.db2.gz AAZYLADZWPJTQY-BZUAXINKSA-N 2 0 360.506 0.866 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)[NH+](C)C)c1 ZINC000670622796 493581405 /nfs/dbraw/zinc/58/14/05/493581405.db2.gz MTZOLMNWVAUTKP-RDJZCZTQSA-N 2 0 362.474 0.625 10 0 FCAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)CC1 ZINC000677739157 493614720 /nfs/dbraw/zinc/61/47/20/493614720.db2.gz WVZUGUIPNDHCDY-LJQANCHMSA-N 2 0 354.539 0.170 10 0 FCAERP 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ZINC000925767510 664470220 /nfs/dbraw/zinc/47/02/20/664470220.db2.gz VILNIYKHDKYCKF-RBSFLKMASA-N 2 0 359.536 0.984 10 0 FCAERP CCOC(=O)C1([C@@H](C)[NH2+]CC2(S(=O)(=O)N(C)C)CC2)CC[NH2+]CC1 ZINC000925773602 664475282 /nfs/dbraw/zinc/47/52/82/664475282.db2.gz DZUCXKKRCQCYRB-CYBMUJFWSA-N 2 0 361.508 0.321 10 0 FCAERP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000895991343 665066167 /nfs/dbraw/zinc/06/61/67/665066167.db2.gz PNQMNRHARLCHKS-SFHVURJKSA-N 2 0 351.491 0.668 10 0 FCAERP O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925165103 665176104 /nfs/dbraw/zinc/17/61/04/665176104.db2.gz QUDNNLFAAGIWMI-XHSDSOJGSA-N 2 0 356.536 0.712 10 0 FCAERP O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925165097 665176114 /nfs/dbraw/zinc/17/61/14/665176114.db2.gz QUDNNLFAAGIWMI-ARFHVFGLSA-N 2 0 356.536 0.712 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2CN(C)CC[NH+](C)C2)[C@@H](C)C1 ZINC000906711150 666063368 /nfs/dbraw/zinc/06/33/68/666063368.db2.gz KNAZCUCMHVELAB-WMZOPIPTSA-N 2 0 354.539 0.733 10 0 FCAERP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C1CCC([NH+]2CCOCC2)CC1 ZINC000908029970 666178698 /nfs/dbraw/zinc/17/86/98/666178698.db2.gz UTTGCWZPQPXSLA-ABHNRTSZSA-N 2 0 350.507 0.384 10 0 FCAERP C[NH+](C)CCCOc1cnccc1CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908234841 666196279 /nfs/dbraw/zinc/19/62/79/666196279.db2.gz BQJOOYOFYFWTTC-QAPCUYQASA-N 2 0 350.463 0.483 10 0 FCAERP C[NH+](C)CCCOc1cnccc1CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000908234842 666196291 /nfs/dbraw/zinc/19/62/91/666196291.db2.gz BQJOOYOFYFWTTC-YJBOKZPZSA-N 2 0 350.463 0.483 10 0 FCAERP CC(C)[N@H+](CCO)CC1CCN(C(=O)C2CN(C)CC[NH+](C)C2)CC1 ZINC000910882178 666287864 /nfs/dbraw/zinc/28/78/64/666287864.db2.gz JEWJTCDZDILXAW-UHFFFAOYSA-N 2 0 354.539 0.421 10 0 FCAERP O=S(=O)(C[C@@]12CC[NH+](C1)CCC2)NCCCC[N@H+]1CCC[C@H]1CO ZINC000914156859 666710209 /nfs/dbraw/zinc/71/02/09/666710209.db2.gz IVVQNJABJOCEDA-IRXDYDNUSA-N 2 0 359.536 0.629 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000754402682 667595822 /nfs/dbraw/zinc/59/58/22/667595822.db2.gz MAUXBTDPMSGRHC-CVEARBPZSA-N 2 0 356.511 0.488 10 0 FCAERP CO[C@@]1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCS(=O)(=O)C1 ZINC000922617201 667667982 /nfs/dbraw/zinc/66/79/82/667667982.db2.gz ZZHUQXHAXUHWPY-QGZVFWFLSA-N 2 0 356.488 0.920 10 0 FCAERP C[C@H]1[C@@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000922872708 667689126 /nfs/dbraw/zinc/68/91/26/667689126.db2.gz NKEYUBZXHCINTL-HOTGVXAUSA-N 2 0 353.511 0.175 10 0 FCAERP COC(=O)C1CCN(C(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000923449787 667836909 /nfs/dbraw/zinc/83/69/09/667836909.db2.gz CGRSZKMVRYJNMH-HNNXBMFYSA-N 2 0 353.463 0.228 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000923449843 667837305 /nfs/dbraw/zinc/83/73/05/667837305.db2.gz CMZNOPNRUBKLHF-KRWDZBQOSA-N 3 0 352.523 0.805 10 0 FCAERP C[C@@H]1C[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[C@H]1C[NH3+] ZINC000923492867 667841223 /nfs/dbraw/zinc/84/12/23/667841223.db2.gz QMNLREBLSKDHJB-QLFBSQMISA-N 2 0 361.552 0.905 10 0 FCAERP C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000923588584 667852532 /nfs/dbraw/zinc/85/25/32/667852532.db2.gz GQRBHAKZIMLVMY-SFHVURJKSA-N 2 0 366.531 0.605 10 0 FCAERP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000781913338 668539148 /nfs/dbraw/zinc/53/91/48/668539148.db2.gz POYNUMBVIHJICA-PBHICJAKSA-N 2 0 370.519 0.317 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000818961375 668966087 /nfs/dbraw/zinc/96/60/87/668966087.db2.gz PNGKZXZCPOYNHI-MRXNPFEDSA-N 2 0 356.511 0.584 10 0 FCAERP Cc1cc([C@H]([NH3+])CC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc(Cl)n1 ZINC000831683316 669861652 /nfs/dbraw/zinc/86/16/52/669861652.db2.gz RVYIARBWHGRJMX-HUUCEWRRSA-N 2 0 351.882 0.939 10 0 FCAERP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000842667603 670709433 /nfs/dbraw/zinc/70/94/33/670709433.db2.gz AWQIWHINQHRZKF-UHFFFAOYSA-N 2 0 358.483 0.590 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000843067789 670772710 /nfs/dbraw/zinc/77/27/10/670772710.db2.gz IMBLHFAMFRNLID-XJKSGUPXSA-N 2 0 361.408 0.937 10 0 FCAERP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCN(C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398864 670812852 /nfs/dbraw/zinc/81/28/52/670812852.db2.gz IMSFZMOXHBTWTB-LSDHHAIUSA-N 2 0 354.495 0.996 10 0 FCAERP CN(C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCSC1 ZINC000867335319 670869242 /nfs/dbraw/zinc/86/92/42/670869242.db2.gz NZJPWQFNLRPTOI-RBSFLKMASA-N 2 0 356.536 0.148 10 0 FCAERP CN1CCC(CNC(=O)CO[C@H]2CCC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000844192285 670908830 /nfs/dbraw/zinc/90/88/30/670908830.db2.gz YLHZAXHJIYVRSZ-KRWDZBQOSA-N 2 0 352.523 0.822 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000846252592 671095650 /nfs/dbraw/zinc/09/56/50/671095650.db2.gz AOHVUJNIIYSNQL-HZPDHXFCSA-N 2 0 364.893 0.759 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849499843 671352101 /nfs/dbraw/zinc/35/21/01/671352101.db2.gz NPUULNXDEAUQEN-IRXDYDNUSA-N 2 0 351.495 0.540 10 0 FCAERP CC1(C)CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1[NH3+] ZINC000903556372 675943966 /nfs/dbraw/zinc/94/39/66/675943966.db2.gz WZJBBRUKZDPOGH-MRXNPFEDSA-N 2 0 352.523 0.807 10 0 FCAERP O=C(N[C@H]1CCC[NH2+]CC1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861642719 671977249 /nfs/dbraw/zinc/97/72/49/671977249.db2.gz GNZJCJYRSYKDLJ-CFVMTHIKSA-N 2 0 351.451 0.095 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC000903730904 675964768 /nfs/dbraw/zinc/96/47/68/675964768.db2.gz QJLIYOINJHQWDK-JHJVBQTASA-N 2 0 362.396 0.421 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C[C@H]1CC[NH3+] ZINC000903734845 675965328 /nfs/dbraw/zinc/96/53/28/675965328.db2.gz CHXDBSAILDGAPP-ZACQAIPSSA-N 2 0 350.507 0.907 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000903737723 675965761 /nfs/dbraw/zinc/96/57/61/675965761.db2.gz CZIMCTNJHBYDPE-FRRDWIJNSA-N 2 0 362.396 0.420 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C[C@H]1C(F)(F)F ZINC000903738664 675965770 /nfs/dbraw/zinc/96/57/70/675965770.db2.gz RHKYKLBEWLCNLH-YNEHKIRRSA-N 2 0 362.396 0.421 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903746954 675967000 /nfs/dbraw/zinc/96/70/00/675967000.db2.gz IGALLYKSMSOREG-KKOKHZNYSA-N 2 0 350.385 0.133 10 0 FCAERP CC[NH+]1CCN(CCC(=O)N2CCC([N@@H+]3CCCOCC3)CC2)CC1 ZINC000861984400 672015728 /nfs/dbraw/zinc/01/57/28/672015728.db2.gz FSHAGRXJSQZHBP-UHFFFAOYSA-N 2 0 352.523 0.727 10 0 FCAERP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000903750157 675967560 /nfs/dbraw/zinc/96/75/60/675967560.db2.gz HPFWKLDIFUDMEE-IRCOFANPSA-N 2 0 350.385 0.276 10 0 FCAERP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903771930 675971523 /nfs/dbraw/zinc/97/15/23/675971523.db2.gz PUOKJJXECPROEN-CHWSQXEVSA-N 2 0 364.412 0.669 10 0 FCAERP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903771933 675971553 /nfs/dbraw/zinc/97/15/53/675971553.db2.gz PUOKJJXECPROEN-STQMWFEESA-N 2 0 364.412 0.669 10 0 FCAERP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903759724 675969266 /nfs/dbraw/zinc/96/92/66/675969266.db2.gz WRWIDKVLODSZEW-GHMZBOCLSA-N 2 0 350.385 0.277 10 0 FCAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903759770 675969399 /nfs/dbraw/zinc/96/93/99/675969399.db2.gz QDOQJDMOPCVGRD-YVECIDJPSA-N 2 0 362.396 0.420 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903762470 675969807 /nfs/dbraw/zinc/96/98/07/675969807.db2.gz CMGUPXJSCVMXJO-AVGNSLFASA-N 2 0 364.412 0.666 10 0 FCAERP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903762366 675969818 /nfs/dbraw/zinc/96/98/18/675969818.db2.gz ZMCIBBOVNYDGRS-QJPTWQEYSA-N 2 0 350.385 0.323 10 0 FCAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cnn1C ZINC000903873195 675979911 /nfs/dbraw/zinc/97/99/11/675979911.db2.gz MJMHZHWRKSLQNR-HUUCEWRRSA-N 2 0 357.524 0.107 10 0 FCAERP COCCCNC(=O)[C@H](C)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903892985 675980982 /nfs/dbraw/zinc/98/09/82/675980982.db2.gz ZPALNEGQLKRRPD-OOKSDGMUSA-N 2 0 352.523 0.676 10 0 FCAERP COCC(COC)[NH+]1CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903929147 675983396 /nfs/dbraw/zinc/98/33/96/675983396.db2.gz AWXAUZCSDQSWLE-MRXNPFEDSA-N 2 0 353.511 0.125 10 0 FCAERP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903933925 675983677 /nfs/dbraw/zinc/98/36/77/675983677.db2.gz BEAWXDYMPWZMMZ-CABCVRRESA-N 2 0 357.524 0.107 10 0 FCAERP Cn1cc(CN2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(Br)n1 ZINC000866658813 672285708 /nfs/dbraw/zinc/28/57/08/672285708.db2.gz ANXAWGQNEGALCY-GFCCVEGCSA-N 2 0 370.295 0.826 10 0 FCAERP CSCC[C@H](C)N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867503555 672327207 /nfs/dbraw/zinc/32/72/07/672327207.db2.gz MPLKQCXQRHBUQI-ARFHVFGLSA-N 2 0 372.579 0.784 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCOCC2CCC2)C[C@H]1C[NH+](C)C ZINC000867589037 672343103 /nfs/dbraw/zinc/34/31/03/672343103.db2.gz CPXVTXSDICWLRT-IAGOWNOFSA-N 2 0 361.552 0.804 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@H]1C[NH+](C)C ZINC000867588922 672343181 /nfs/dbraw/zinc/34/31/81/672343181.db2.gz JPRSXHFNZMLHQD-HZPDHXFCSA-N 2 0 367.515 0.981 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCC2CCOCC2)C[C@H]1C[NH+](C)C ZINC000867590343 672343494 /nfs/dbraw/zinc/34/34/94/672343494.db2.gz OVTJAHKNHSQPBS-IAGOWNOFSA-N 2 0 361.552 0.804 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc3c2OCC3)C[C@H]1C[NH+](C)C ZINC000867590359 672343735 /nfs/dbraw/zinc/34/37/35/672343735.db2.gz PXQPBGJTYOBKNB-HZPDHXFCSA-N 2 0 367.515 0.981 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H](C)C1 ZINC000867607277 672347251 /nfs/dbraw/zinc/34/72/51/672347251.db2.gz BXJLJRPAYVXGID-QBPKDAKJSA-N 2 0 352.523 0.831 10 0 FCAERP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000867988490 672382739 /nfs/dbraw/zinc/38/27/39/672382739.db2.gz MXSGQRMXOSEZNA-AWEZNQCLSA-N 2 0 351.472 0.978 10 0 FCAERP CC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC[C@@H]1[NH3+] ZINC000868387448 672397616 /nfs/dbraw/zinc/39/76/16/672397616.db2.gz RSQRNXKCDYYTDA-CVEARBPZSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000868391115 672398202 /nfs/dbraw/zinc/39/82/02/672398202.db2.gz SROJDNKQCKJUJS-JKSUJKDBSA-N 2 0 350.507 0.907 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000868394791 672398375 /nfs/dbraw/zinc/39/83/75/672398375.db2.gz CCSJCDSLDDWODB-UHFFFAOYSA-N 2 0 354.495 0.015 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCC1(C)C ZINC000868405493 672398947 /nfs/dbraw/zinc/39/89/47/672398947.db2.gz IWUHIIKILCQWIX-INIZCTEOSA-N 2 0 350.507 0.920 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000868449689 672400836 /nfs/dbraw/zinc/40/08/36/672400836.db2.gz VMIDMXIERHNJJL-ZNMIVQPWSA-N 2 0 354.495 0.851 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)C[C@H]1C[NH+](C)C ZINC000870023883 672462381 /nfs/dbraw/zinc/46/23/81/672462381.db2.gz FMLZDXMVYDFZSC-CHWSQXEVSA-N 2 0 374.532 0.207 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CN2CCCCCCC2=O)C[C@H]1C[NH+](C)C ZINC000870023705 672462423 /nfs/dbraw/zinc/46/24/23/672462423.db2.gz JLWZQWMSEUKDEC-IAGOWNOFSA-N 2 0 352.523 0.977 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@]23CCC(=O)N2CCS3)C[C@H]1C[NH+](C)C ZINC000870023745 672462474 /nfs/dbraw/zinc/46/24/74/672462474.db2.gz LDVXFAPMVZEMEH-CKEIUWERSA-N 2 0 354.520 0.250 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997041 672524500 /nfs/dbraw/zinc/52/45/00/672524500.db2.gz JPYIICALKYBCQV-FPCVCCKLSA-N 2 0 350.463 0.644 10 0 FCAERP [NH3+][C@H](CC1CCCCC1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870996427 672524514 /nfs/dbraw/zinc/52/45/14/672524514.db2.gz BTLVMTIPWHHKON-JJXSEGSLSA-N 2 0 350.463 0.678 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000872186581 672596930 /nfs/dbraw/zinc/59/69/30/672596930.db2.gz LWRVYYIYUUNFBA-JHJVBQTASA-N 2 0 364.412 0.525 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872194107 672602041 /nfs/dbraw/zinc/60/20/41/672602041.db2.gz FLKMIKLHKPMNSD-SRVKXCTJSA-N 2 0 350.385 0.135 10 0 FCAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872255915 672608735 /nfs/dbraw/zinc/60/87/35/672608735.db2.gz HZBYNUDXGKVHQQ-XOUADPBQSA-N 2 0 350.463 0.643 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@H]1C[NH+](C)C ZINC000875549793 672892000 /nfs/dbraw/zinc/89/20/00/672892000.db2.gz SZZAFNLSFIIYOX-HUUCEWRRSA-N 2 0 374.551 0.335 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@]2(O)CCCOC2)C[C@H]1C[NH+](C)C ZINC000875702684 672906139 /nfs/dbraw/zinc/90/61/39/672906139.db2.gz YCTREFSLNVBVSD-JFIYKMOQSA-N 2 0 356.511 0.299 10 0 FCAERP C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)C2C[NH2+]C2)CCOCC1 ZINC000923677148 673070074 /nfs/dbraw/zinc/07/00/74/673070074.db2.gz ZMMSCOPFTOQAAM-UHFFFAOYSA-N 2 0 353.488 0.559 10 0 FCAERP O=C1O[C@@H](CNS(=O)(=O)CCC[NH+]2CCCC2)CC12CC[NH2+]CC2 ZINC000923685187 673462626 /nfs/dbraw/zinc/46/26/26/673462626.db2.gz TXQYVWCIAJKSRE-CQSZACIVSA-N 2 0 359.492 0.077 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CC(CC(N)=O)C1 ZINC000925073847 673775247 /nfs/dbraw/zinc/77/52/47/673775247.db2.gz BLSHBXNDDAAMTO-UYSNPLJNSA-N 2 0 353.511 0.698 10 0 FCAERP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000925152057 673778062 /nfs/dbraw/zinc/77/80/62/673778062.db2.gz QXKQDBTXKALDTE-VQHPVUNQSA-N 2 0 368.547 0.807 10 0 FCAERP O=C(N[C@@H]1CCC[NH+]2CCSC[C@@H]12)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000925179550 673782533 /nfs/dbraw/zinc/78/25/33/673782533.db2.gz UJEAPPDTYXPGNW-ZACQAIPSSA-N 2 0 368.547 0.807 10 0 FCAERP COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925591183 673795040 /nfs/dbraw/zinc/79/50/40/673795040.db2.gz YGIQKXUKSVISML-HZPDHXFCSA-N 2 0 353.488 0.971 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC[C@H]1C[NH3+] ZINC000926297011 673820732 /nfs/dbraw/zinc/82/07/32/673820732.db2.gz FPNUXOCGOSQWOW-CVEARBPZSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926326544 673823067 /nfs/dbraw/zinc/82/30/67/673823067.db2.gz OOSSTGBSNWWXCZ-HZPDHXFCSA-N 2 0 350.507 0.907 10 0 FCAERP CCO[C@H](CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C[NH+](C)C ZINC000926837847 673844286 /nfs/dbraw/zinc/84/42/86/673844286.db2.gz WKBVIVAJLXETHX-IAGOWNOFSA-N 2 0 355.527 0.375 10 0 FCAERP COC1CC[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927644311 673875439 /nfs/dbraw/zinc/87/54/39/673875439.db2.gz LHGAMNSDUYPLDV-INIZCTEOSA-N 2 0 354.495 0.650 10 0 FCAERP C[C@@H]1[C@H](NC(=O)CCSCCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC[NH+]1C ZINC000928447339 673910359 /nfs/dbraw/zinc/91/03/59/673910359.db2.gz JOGIEFJRQBHQCY-QKPAOTATSA-N 2 0 370.563 0.917 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)[NH+]1CCC(C)CC1 ZINC000929785065 673976664 /nfs/dbraw/zinc/97/66/64/673976664.db2.gz LIBHZOFBXCMVIM-JTDSTZFVSA-N 2 0 350.507 0.633 10 0 FCAERP CC[NH+]1CCN([C@@H](C)CNC(=O)CN2CC[N@@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000930084599 673996831 /nfs/dbraw/zinc/99/68/31/673996831.db2.gz AHOCRWHZPHGKNH-BZSNNMDCSA-N 2 0 353.555 0.543 10 0 FCAERP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C[C@@]2(O)CCC[NH+](C)C2)C[C@H](C)O1 ZINC000900372212 675676807 /nfs/dbraw/zinc/67/68/07/675676807.db2.gz QYIRQUCYBCTLNJ-ZMMAXQRCSA-N 2 0 353.507 0.933 10 0 FCAERP C[NH+](C)CCCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)[C@@H]1CCS(=O)(=O)C1 ZINC000900980137 675736831 /nfs/dbraw/zinc/73/68/31/675736831.db2.gz HUWJQLJRCBVYPF-ZACQAIPSSA-N 2 0 371.547 0.971 10 0 FCAERP C[NH+](C)CCCN(C(=O)[C@@]12CC[N@H+](C1)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000900982095 675737137 /nfs/dbraw/zinc/73/71/37/675737137.db2.gz UZOSEWZNRRITCB-WBVHZDCISA-N 2 0 357.520 0.440 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCN2CCN(Cc3conc3C)CC2)CC[N@@H+]1C ZINC001266285502 1167875243 /nfs/dbraw/zinc/87/52/43/1167875243.db2.gz BHTJYZWBPKJYGC-ZWKOTPCHSA-N 2 0 363.506 0.947 10 0 FCAERP O=C(NCCN1CC[NH+](C[C@@H]2CCCOC2)CC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001266285499 1167875662 /nfs/dbraw/zinc/87/56/62/1167875662.db2.gz BGZZTLGKZFKBDO-GVDBMIGSSA-N 2 0 361.490 0.674 10 0 FCAERP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001719616162 1170388258 /nfs/dbraw/zinc/38/82/58/1170388258.db2.gz YVISMDFOFJWDMA-OAGGEKHMSA-N 2 0 354.495 0.012 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001266868519 1170840434 /nfs/dbraw/zinc/84/04/34/1170840434.db2.gz XEKZAARBUUILCF-OWCLPIDISA-N 2 0 364.490 0.446 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001267041511 1171486677 /nfs/dbraw/zinc/48/66/77/1171486677.db2.gz PMSDXHDXAWAPPS-IXDOHACOSA-N 2 0 366.506 0.014 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000926412516 1171901712 /nfs/dbraw/zinc/90/17/12/1171901712.db2.gz PSLJQOSILHTXQJ-INIZCTEOSA-N 2 0 366.506 0.287 10 0 FCAERP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000125394887 1171928106 /nfs/dbraw/zinc/92/81/06/1171928106.db2.gz FKXPOSIUIOTGDS-CABCVRRESA-N 2 0 364.494 0.620 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000897559287 1192809770 /nfs/dbraw/zinc/80/97/70/1192809770.db2.gz GSVMZRIQMPTNKM-LSDHHAIUSA-N 2 0 357.458 0.472 10 0 FCAERP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000897632693 1192838131 /nfs/dbraw/zinc/83/81/31/1192838131.db2.gz TYDMCUKBYFVZOS-HOTGVXAUSA-N 2 0 361.490 0.965 10 0 FCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000897632692 1192838191 /nfs/dbraw/zinc/83/81/91/1192838191.db2.gz TYDMCUKBYFVZOS-CVEARBPZSA-N 2 0 361.490 0.965 10 0 FCAERP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCC[N@H+](C)CCCOC)CC1 ZINC000897827159 1192847665 /nfs/dbraw/zinc/84/76/65/1192847665.db2.gz BOKJHBUJPNTXGF-UHFFFAOYSA-N 2 0 368.522 0.548 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001719688022 1179386171 /nfs/dbraw/zinc/38/61/71/1179386171.db2.gz LGRYYNSJBHXEKX-HLIPFELVSA-N 2 0 364.534 0.977 10 0 FCAERP CC(C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1)[NH+](C)C ZINC001719691195 1179416978 /nfs/dbraw/zinc/41/69/78/1179416978.db2.gz WIKBHYYAMOJADO-KVSKMBFKSA-N 2 0 352.523 0.831 10 0 FCAERP CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001267542113 1181725894 /nfs/dbraw/zinc/72/58/94/1181725894.db2.gz OZGISMXQWAIWQE-RBSFLKMASA-N 2 0 364.494 0.262 10 0 FCAERP CC(=O)NCCOCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267652863 1182843929 /nfs/dbraw/zinc/84/39/29/1182843929.db2.gz GHQVPYDJSKLXNT-KBAYOESNSA-N 2 0 368.522 0.260 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]Cc2nnnn2C)CC[N@@H+]1C ZINC001268155821 1186552548 /nfs/dbraw/zinc/55/25/48/1186552548.db2.gz KDXWDLYZSCGHPU-HRCADAONSA-N 2 0 363.510 0.801 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)Nc2cc(C)on2)CC[N@@H+]1C ZINC001482101787 1187617126 /nfs/dbraw/zinc/61/71/26/1187617126.db2.gz GSKNCUIWYWFNDL-AEGPPILISA-N 2 0 365.478 0.994 10 0 FCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000262012789 1188213816 /nfs/dbraw/zinc/21/38/16/1188213816.db2.gz FNIGQKLFQMFDDT-SFHVURJKSA-N 2 0 362.474 0.235 10 0 FCAERP C[C@H](CCNC(=O)C(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000550781528 1193787884 /nfs/dbraw/zinc/78/78/84/1193787884.db2.gz NZEYRAKXGHYISS-QGZVFWFLSA-N 2 0 368.522 0.596 10 0 FCAERP C[C@@H](CCNC(=O)C(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000550781526 1193787992 /nfs/dbraw/zinc/78/79/92/1193787992.db2.gz NZEYRAKXGHYISS-KRWDZBQOSA-N 2 0 368.522 0.596 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000552941245 1193960598 /nfs/dbraw/zinc/96/05/98/1193960598.db2.gz ZSQDQGKJUAYLLQ-HMQMGEFJSA-N 2 0 366.506 0.345 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000553238952 1193980491 /nfs/dbraw/zinc/98/04/91/1193980491.db2.gz PKVQTFFDAFLEFX-RTBURBONSA-N 2 0 360.502 0.548 10 0 FCAERP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000553735781 1194018351 /nfs/dbraw/zinc/01/83/51/1194018351.db2.gz ZAFCHPLMYJAZRH-IAGOWNOFSA-N 2 0 366.506 0.300 10 0 FCAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000898623374 1194054186 /nfs/dbraw/zinc/05/41/86/1194054186.db2.gz NVFRMLAUVFNBRG-NWCWSAAOSA-N 2 0 364.534 0.593 10 0 FCAERP CC(C)n1nccc1NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483228710 1195524304 /nfs/dbraw/zinc/52/43/04/1195524304.db2.gz WIBXBIWAJPVHBC-RRFJBIMHSA-N 2 0 364.494 0.837 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911934032 1196322082 /nfs/dbraw/zinc/32/20/82/1196322082.db2.gz WHIQWPDBFTXDBI-HNNXBMFYSA-N 2 0 372.510 0.356 10 0 FCAERP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[NH2+]C[C@H]3C(=O)OC)cc2)CC1 ZINC000592962399 1196601670 /nfs/dbraw/zinc/60/16/70/1196601670.db2.gz DRRWGDUEZJVCOY-SFHVURJKSA-N 2 0 374.485 0.806 10 0 FCAERP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCCC[C@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913630691 1197094351 /nfs/dbraw/zinc/09/43/51/1197094351.db2.gz AMQOQONIVYIRLM-HZPDHXFCSA-N 2 0 360.502 0.722 10 0 FCAERP CN(C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)C12CC[NH+](CC1)C2 ZINC000913728952 1197118417 /nfs/dbraw/zinc/11/84/17/1197118417.db2.gz CTDYEYRNRYITSE-KRWDZBQOSA-N 2 0 374.529 0.875 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[NH+](C)[C@H]2CC)CC[N@@H+]1C ZINC000913919351 1197161626 /nfs/dbraw/zinc/16/16/26/1197161626.db2.gz KVONGHRLBXHOBL-JJTUDDRGSA-N 2 0 368.522 0.040 10 0 FCAERP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCN1c1cc[nH+]cc1 ZINC000915282618 1198006805 /nfs/dbraw/zinc/00/68/05/1198006805.db2.gz KUZIQSYDPXAUSZ-HZPDHXFCSA-N 2 0 359.474 0.529 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)/C=C/C=C/C(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@H]2C1 ZINC000816951931 1203084105 /nfs/dbraw/zinc/08/41/05/1203084105.db2.gz YZLMSKNNIGKISS-XHGSXBJZSA-N 2 0 358.486 0.424 10 0 FCAERP Cc1cc(C)c(N2CC[C@@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2=O)c(C)c1 ZINC000819257575 1203152826 /nfs/dbraw/zinc/15/28/26/1203152826.db2.gz DSDGRGWQKPYQIC-RBUKOAKNSA-N 2 0 374.529 0.915 10 0 FCAERP COC(=O)c1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)no1 ZINC001136462524 1203206970 /nfs/dbraw/zinc/20/69/70/1203206970.db2.gz MLIPRTXJMMCZRI-UHFFFAOYSA-N 2 0 373.413 0.798 10 0 FCAERP CN(C[C@H](O)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC000822751116 1203235749 /nfs/dbraw/zinc/23/57/49/1203235749.db2.gz SWFBTSCUNNLUIN-SJORKVTESA-N 2 0 370.538 0.926 10 0 FCAERP C[C@H]1CN(CCO)CCN1C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000846253814 1204603900 /nfs/dbraw/zinc/60/39/00/1204603900.db2.gz MZWPKISNAWWWBK-LSDHHAIUSA-N 2 0 372.510 0.356 10 0 FCAERP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000775268074 1207571335 /nfs/dbraw/zinc/57/13/35/1207571335.db2.gz UHPGGYDGTOYCBF-QAPCUYQASA-N 2 0 362.474 0.902 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)CC[C@H]21 ZINC000867337797 1208380212 /nfs/dbraw/zinc/38/02/12/1208380212.db2.gz MCLXDJKHNYDNHL-QZTJIDSGSA-N 2 0 362.518 0.873 10 0 FCAERP CCO[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867368076 1208434475 /nfs/dbraw/zinc/43/44/75/1208434475.db2.gz XYQGFCZKWATCDY-ZACQAIPSSA-N 2 0 368.522 0.212 10 0 FCAERP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001488968321 1208589739 /nfs/dbraw/zinc/58/97/39/1208589739.db2.gz NBYFBSFEYKEOOL-OWCLPIDISA-N 2 0 364.494 0.158 10 0 FCAERP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001489030917 1208613494 /nfs/dbraw/zinc/61/34/94/1208613494.db2.gz HHVGUHOECCGDBS-PMPSAXMXSA-N 2 0 364.490 0.446 10 0 FCAERP COCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001489207749 1208672684 /nfs/dbraw/zinc/67/26/84/1208672684.db2.gz GUFVPVCGPGOWGS-KURKYZTESA-N 2 0 353.507 0.772 10 0 FCAERP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001489209563 1208675245 /nfs/dbraw/zinc/67/52/45/1208675245.db2.gz VBAPNFTZAOZFQD-SQNIBIBYSA-N 2 0 362.518 0.921 10 0 FCAERP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1)[NH+](C)C ZINC001489364841 1208787593 /nfs/dbraw/zinc/78/75/93/1208787593.db2.gz KOSSPDVDZYHTER-IXDOHACOSA-N 2 0 368.522 0.281 10 0 FCAERP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)[NH+](C)C ZINC001489474359 1208854616 /nfs/dbraw/zinc/85/46/16/1208854616.db2.gz IWSGLARRSLBBKF-OIISXLGYSA-N 2 0 368.522 0.401 10 0 FCAERP C[NH+](C)CCCCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001489649737 1209036236 /nfs/dbraw/zinc/03/62/36/1209036236.db2.gz AVCZJQYXZNIENE-IXDOHACOSA-N 2 0 350.507 0.729 10 0 FCAERP C[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001489653523 1209040522 /nfs/dbraw/zinc/04/05/22/1209040522.db2.gz RNXAURRHHSEQMY-IAGOWNOFSA-N 2 0 350.507 0.873 10 0 FCAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@@H]2C1 ZINC001490041277 1209222749 /nfs/dbraw/zinc/22/27/49/1209222749.db2.gz SNRVIIFIZKFRRN-SJORKVTESA-N 2 0 352.523 0.977 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@]2(C)C1 ZINC001490223540 1209276107 /nfs/dbraw/zinc/27/61/07/1209276107.db2.gz KHEIUOYMYNZEJJ-APWZRJJASA-N 2 0 352.523 0.977 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001490237415 1209283015 /nfs/dbraw/zinc/28/30/15/1209283015.db2.gz HQVDGTYXHBPMSE-APWZRJJASA-N 2 0 364.534 0.977 10 0 FCAERP CCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001490251297 1209286322 /nfs/dbraw/zinc/28/63/22/1209286322.db2.gz DRSQEUFUKFAFOK-MSOLQXFVSA-N 2 0 360.502 0.906 10 0 FCAERP Cc1nc[nH]c1CC(=O)NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001490340666 1209325612 /nfs/dbraw/zinc/32/56/12/1209325612.db2.gz JFQZSVYQVDRAJE-CZUORRHYSA-N 2 0 361.490 0.813 10 0 FCAERP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000850808555 1209490426 /nfs/dbraw/zinc/49/04/26/1209490426.db2.gz WQUHXEHCKZYLBQ-WMLDXEAASA-N 2 0 360.458 0.887 10 0 FCAERP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852872353 1209570172 /nfs/dbraw/zinc/57/01/72/1209570172.db2.gz FABSSWWGLNKNQH-AWEZNQCLSA-N 2 0 361.446 0.879 10 0 FCAERP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000852871078 1209570276 /nfs/dbraw/zinc/57/02/76/1209570276.db2.gz JWVKIJFGKPUTOM-OAHLLOKOSA-N 2 0 374.445 0.944 10 0 FCAERP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C3=NO[C@H](C[NH3+])C3)cc2)CC1 ZINC000852871077 1209570570 /nfs/dbraw/zinc/57/05/70/1209570570.db2.gz JWVKIJFGKPUTOM-HNNXBMFYSA-N 2 0 374.445 0.944 10 0 FCAERP C[NH+]1CCN(CCOc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000852872756 1209571507 /nfs/dbraw/zinc/57/15/07/1209571507.db2.gz LQORGJZSGAEDOQ-MRXNPFEDSA-N 2 0 361.446 0.355 10 0 FCAERP [NH3+]C[C@@H]1CC(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)=NO1 ZINC000852872687 1209571526 /nfs/dbraw/zinc/57/15/26/1209571526.db2.gz KCSJWFGGACPXSU-KRWDZBQOSA-N 2 0 359.474 0.809 10 0 FCAERP CN1CC[N@H+](CCCNC(=O)C2=NO[C@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000852872588 1209572165 /nfs/dbraw/zinc/57/21/65/1209572165.db2.gz IJJTYGWLLJWHOO-WMZOPIPTSA-N 2 0 359.474 0.585 10 0 FCAERP Cc1cccc(N2CC[NH+](CCCNC(=O)C3=NO[C@@H](C[NH3+])C3)CC2)c1 ZINC000852873440 1209572249 /nfs/dbraw/zinc/57/22/49/1209572249.db2.gz VNUKHVXTEYNFJA-QGZVFWFLSA-N 2 0 359.474 0.727 10 0 FCAERP [NH3+]C[C@H]1CC(C(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)=NO1 ZINC000852893229 1209573833 /nfs/dbraw/zinc/57/38/33/1209573833.db2.gz SPDGFVXMWCFPQY-CQSZACIVSA-N 2 0 360.462 0.686 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000858166846 1209777464 /nfs/dbraw/zinc/77/74/64/1209777464.db2.gz CBHQZBIIWZQSQO-NVXWUHKLSA-N 2 0 373.457 0.408 10 0 FCAERP C[C@H]1C[C@@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC[N@@H+]1C ZINC000861592200 1209872247 /nfs/dbraw/zinc/87/22/47/1209872247.db2.gz HRRMRRJDIMQBRE-UGQVUOCMSA-N 2 0 365.478 0.436 10 0 FCAERP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861639235 1209873140 /nfs/dbraw/zinc/87/31/40/1209873140.db2.gz BZUZXPIKLGBAMA-MIGQKNRLSA-N 2 0 365.478 0.471 10 0 FCAERP C[C@@H](NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[C@H]1CCC[NH2+]C1 ZINC000861638552 1209873173 /nfs/dbraw/zinc/87/31/73/1209873173.db2.gz DGEXEKIOGJSRPI-CLWVCHIJSA-N 2 0 365.478 0.341 10 0 FCAERP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861653902 1209873560 /nfs/dbraw/zinc/87/35/60/1209873560.db2.gz HWFAWFDBCCNKRF-ILXRZTDVSA-N 2 0 363.462 0.095 10 0 FCAERP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000861651315 1209873642 /nfs/dbraw/zinc/87/36/42/1209873642.db2.gz NEZREAVVEUEUGB-BMFZPTHFSA-N 2 0 365.478 0.437 10 0 FCAERP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)/C=C/C=C/C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)C[C@H]21 ZINC000861912028 1209888337 /nfs/dbraw/zinc/88/83/37/1209888337.db2.gz IHZVTWXQIQXKRP-MRCDWDEKSA-N 2 0 358.486 0.136 10 0 FCAERP Cn1cc(-c2cc(C[NH+]3CCC(N4C(=O)O[C@H]5C[NH2+]C[C@H]54)CC3)on2)cn1 ZINC000863549749 1209944447 /nfs/dbraw/zinc/94/44/47/1209944447.db2.gz QPXIZYVFAMBSMH-SJORKVTESA-N 2 0 372.429 0.832 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)n1 ZINC000865060173 1209970292 /nfs/dbraw/zinc/97/02/92/1209970292.db2.gz MKHFYHZWFIUYPS-ZDUSSCGKSA-N 2 0 368.482 0.838 10 0 FCAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000866714601 1210004866 /nfs/dbraw/zinc/00/48/66/1210004866.db2.gz SSFYWXHSAWGCFR-OWCLPIDISA-N 2 0 354.414 0.634 10 0 FCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867508210 1210009933 /nfs/dbraw/zinc/00/99/33/1210009933.db2.gz ZGIJBRIJXVDMNX-NVXWUHKLSA-N 2 0 362.474 0.722 10 0 FCAERP CO[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[C@H]1C ZINC000867535627 1210011339 /nfs/dbraw/zinc/01/13/39/1210011339.db2.gz KTVBMHRZIJOAMJ-VQHPVUNQSA-N 2 0 368.522 0.068 10 0 FCAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000867550588 1210011762 /nfs/dbraw/zinc/01/17/62/1210011762.db2.gz OIGZCTKGCPGFEK-OKZBNKHCSA-N 2 0 362.518 0.729 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCC3(CC3)CC2)C[C@H]1C[NH+](C)C ZINC000867655737 1210020389 /nfs/dbraw/zinc/02/03/89/1210020389.db2.gz ZZDLHDNPKPFNSQ-IAGOWNOFSA-N 2 0 364.534 0.977 10 0 FCAERP CO[C@H]1CC[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867716625 1210025253 /nfs/dbraw/zinc/02/52/53/1210025253.db2.gz MEYUOXILBNLWPM-VQHPVUNQSA-N 2 0 368.522 0.210 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)C[C@H]1C[NH+](C)C ZINC000868165915 1210043267 /nfs/dbraw/zinc/04/32/67/1210043267.db2.gz DHYBVJZQULKOHF-HZPDHXFCSA-N 3 0 360.506 0.930 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCOCC1 ZINC000868228545 1210045410 /nfs/dbraw/zinc/04/54/10/1210045410.db2.gz FQWHNNMJPAYXKY-JKSUJKDBSA-N 2 0 360.458 0.667 10 0 FCAERP COCCN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000868261303 1210047887 /nfs/dbraw/zinc/04/78/87/1210047887.db2.gz QFVCAYIBQVPCNB-UHFFFAOYSA-N 2 0 362.474 0.901 10 0 FCAERP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000868289128 1210049748 /nfs/dbraw/zinc/04/97/48/1210049748.db2.gz CLLCBFYCHZTDBM-UHFFFAOYSA-N 2 0 371.485 0.859 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)CC[C@@H]21 ZINC000868310036 1210051546 /nfs/dbraw/zinc/05/15/46/1210051546.db2.gz QBKWOGDAQOJFQD-MRRJBJDNSA-N 2 0 357.458 0.389 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]C4)CC3)CC[C@H]21 ZINC000868410748 1210063351 /nfs/dbraw/zinc/06/33/51/1210063351.db2.gz ORVLQSRLCVWGPS-KZNAEPCWSA-N 2 0 362.518 0.777 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000868419802 1210064740 /nfs/dbraw/zinc/06/47/40/1210064740.db2.gz RJTDNRZTEUQWMJ-IXDOHACOSA-N 2 0 366.506 0.299 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)CC[C@@H]21 ZINC000868644919 1210070681 /nfs/dbraw/zinc/07/06/81/1210070681.db2.gz NHSCIUFJYHWWRK-SJORKVTESA-N 2 0 365.522 0.714 10 0 FCAERP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000869780411 1210094720 /nfs/dbraw/zinc/09/47/20/1210094720.db2.gz JHLCVUZVVOIGDW-PXNSSMCTSA-N 2 0 361.486 0.585 10 0 FCAERP COCCn1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1=O ZINC000870023328 1210100164 /nfs/dbraw/zinc/10/01/64/1210100164.db2.gz SZBQTQYQUUENSQ-IAGOWNOFSA-N 2 0 364.490 0.306 10 0 FCAERP CN1CCN(C(=O)CC2CCN(C(=O)CCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000870883568 1210121183 /nfs/dbraw/zinc/12/11/83/1210121183.db2.gz BIGBIKKRSIUYGP-UHFFFAOYSA-N 2 0 362.518 0.921 10 0 FCAERP [NH3+]C[C@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccc(F)cc1 ZINC000870997602 1210125720 /nfs/dbraw/zinc/12/57/20/1210125720.db2.gz PBQOVXCXVZLJDZ-JONQDZQNSA-N 2 0 362.405 0.262 10 0 FCAERP Cc1cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1-n1cncn1 ZINC000872254979 1210181719 /nfs/dbraw/zinc/18/17/19/1210181719.db2.gz HUORKJPTQOBTEV-JQHSSLGASA-N 2 0 368.441 0.943 10 0 FCAERP Cn1cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(-c2ccncc2)n1 ZINC000872255209 1210183610 /nfs/dbraw/zinc/18/36/10/1210183610.db2.gz RIKCTLZEVVILLD-ZACQAIPSSA-N 2 0 368.441 0.849 10 0 FCAERP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872264041 1210184648 /nfs/dbraw/zinc/18/46/48/1210184648.db2.gz ITDVDXDXCSDZGJ-GWFJUFKTSA-N 2 0 362.474 0.691 10 0 FCAERP C[C@H](CC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[C@H]1CCC[NH2+]C1 ZINC000872264431 1210184886 /nfs/dbraw/zinc/18/48/86/1210184886.db2.gz QJTUSYTUFISMFX-WTTBNOFXSA-N 2 0 364.490 0.796 10 0 FCAERP CC(C)[C@@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCCCC1 ZINC000872304484 1210188709 /nfs/dbraw/zinc/18/87/09/1210188709.db2.gz XNVVIPZWYQCNNF-NCOADZHNSA-N 2 0 364.490 0.890 10 0 FCAERP CCOC(=O)N1CC[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000875502258 1210377157 /nfs/dbraw/zinc/37/71/57/1210377157.db2.gz MNFIHZPPLBBRPF-BZUAXINKSA-N 2 0 369.510 0.598 10 0 FCAERP COC(=O)C[C@@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000875744040 1210390870 /nfs/dbraw/zinc/39/08/70/1210390870.db2.gz YJTFILDYQBFTKO-GVDBMIGSSA-N 2 0 368.522 0.957 10 0 FCAERP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](O)[C@@H](O)C1 ZINC000879611748 1210492198 /nfs/dbraw/zinc/49/21/98/1210492198.db2.gz XJTBATLBDLMIGW-LZQZEXGQSA-N 2 0 361.486 0.583 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]1CC(=O)N(C)C1 ZINC000924740075 1211478744 /nfs/dbraw/zinc/47/87/44/1211478744.db2.gz ALRNUXJJFRTQQR-IAGOWNOFSA-N 2 0 367.538 0.912 10 0 FCAERP C[NH+]1CCC(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)(N2CCCCC2)CC1 ZINC000925156786 1211491917 /nfs/dbraw/zinc/49/19/17/1211491917.db2.gz QKHLPGGNNVTKQU-QGZVFWFLSA-N 2 0 364.534 0.822 10 0 FCAERP CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925841305 1211508799 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C[C@H]1CCCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001329846867 872306138 /nfs/dbraw/zinc/30/61/38/872306138.db2.gz HSZWTLSFZAOHLJ-GVDBMIGSSA-N 2 0 352.523 0.833 10 0 FCAERP CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001347653708 872436353 /nfs/dbraw/zinc/43/63/53/872436353.db2.gz RDWBMHGVQOAXTA-ZACQAIPSSA-N 2 0 350.507 0.918 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NC[C@@](C)(O)CC[NH+](C)C)cn1 ZINC001330142232 872488882 /nfs/dbraw/zinc/48/88/82/872488882.db2.gz SDCRZLMWNULLCD-NUJGCVRESA-N 2 0 351.495 0.274 10 0 FCAERP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)[NH+]1CCN(C)CC1 ZINC001348434591 872698725 /nfs/dbraw/zinc/69/87/25/872698725.db2.gz PRNKAQDQFZKLAS-XDNAFOTISA-N 2 0 351.539 0.898 10 0 FCAERP C[C@H]1CC(C)(C)CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001332059160 873355282 /nfs/dbraw/zinc/35/52/82/873355282.db2.gz KVMGKAIVQREJBG-ARFHVFGLSA-N 2 0 352.523 0.831 10 0 FCAERP 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Cc1cnn([C@@H]2CCN(CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C2)c1 ZINC000368088249 216201428 /nfs/dbraw/zinc/20/14/28/216201428.db2.gz FUEGVIDAXMMGNS-MSOLQXFVSA-N 2 0 363.506 0.911 10 0 FCAERP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@]2(CC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC[NH2+]C2)C1 ZINC000368650944 216275668 /nfs/dbraw/zinc/27/56/68/216275668.db2.gz RKWJGEOIIYWFAH-RUEZSYAVSA-N 3 0 365.522 0.128 10 0 FCAERP C[C@@H]1C[N@H+](CC(=O)NCC2(N3CCOCC3)CCCCC2)C[C@H]1CO ZINC000190843970 209279370 /nfs/dbraw/zinc/27/93/70/209279370.db2.gz ORZZIZLONBUMLP-SJORKVTESA-N 2 0 353.507 0.698 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000189788158 209262049 /nfs/dbraw/zinc/26/20/49/209262049.db2.gz XPEWEWVFIZYRBX-UHFFFAOYSA-N 2 0 360.458 0.872 10 0 FCAERP C[C@]1(C(N)=O)CCCC[NH+]1CCOCC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185973459 209183194 /nfs/dbraw/zinc/18/31/94/209183194.db2.gz XYSGHLKEBBOKPG-HDICACEKSA-N 2 0 354.495 0.463 10 0 FCAERP 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ZINC000423367972 247014240 /nfs/dbraw/zinc/01/42/40/247014240.db2.gz MSTVFZJZFVPSQC-GASCZTMLSA-N 2 0 364.515 0.991 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000423452141 247030431 /nfs/dbraw/zinc/03/04/31/247030431.db2.gz VZRWLSGXUGBIHP-ZACQAIPSSA-N 2 0 366.506 0.156 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)[C@@H](C)C1 ZINC000425384635 247329587 /nfs/dbraw/zinc/32/95/87/247329587.db2.gz KBHHPSIWYRDEFR-LUKYLMHMSA-N 2 0 350.507 0.728 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425452394 247342043 /nfs/dbraw/zinc/34/20/43/247342043.db2.gz NRLAZEJGDSDUIG-INIZCTEOSA-N 2 0 356.511 0.849 10 0 FCAERP Cn1ccnc1CN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435560953 248000809 /nfs/dbraw/zinc/00/08/09/248000809.db2.gz YNFQLSOLLWUKRH-HZPDHXFCSA-N 2 0 361.490 0.659 10 0 FCAERP C[C@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](C)[NH+](C)C1CC1)[N@H+](C)C1CC1 ZINC000931779752 674134089 /nfs/dbraw/zinc/13/40/89/674134089.db2.gz KUYHWJYPUKTWCH-AZQPONJRSA-N 2 0 350.507 0.820 10 0 FCAERP NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](NC(N)=O)C2)C1 ZINC000270802985 211270477 /nfs/dbraw/zinc/27/04/77/211270477.db2.gz MJKNAWDGGRHEHP-IYBDPMFKSA-N 2 0 360.462 0.172 10 0 FCAERP CC(C)[NH+]1CCC(O)(CNC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000473884181 250254216 /nfs/dbraw/zinc/25/42/16/250254216.db2.gz IQGYCSRKTPGSEV-UHFFFAOYSA-N 2 0 356.511 0.633 10 0 FCAERP COC(=O)[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@H+](C)C1 ZINC000413410242 532989710 /nfs/dbraw/zinc/98/97/10/532989710.db2.gz TVVVRAFMDHRAAH-HWOWSKLDSA-N 2 0 354.495 0.853 10 0 FCAERP CC(C)[C@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000117029555 208339951 /nfs/dbraw/zinc/33/99/51/208339951.db2.gz QNGCDTKVDXTUEU-SJORKVTESA-N 2 0 355.527 0.230 10 0 FCAERP CC(C)[C@@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000117029557 208340750 /nfs/dbraw/zinc/34/07/50/208340750.db2.gz QNGCDTKVDXTUEU-DLBZAZTESA-N 2 0 355.527 0.230 10 0 FCAERP CC[NH+]1CCN(CCC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000119932832 208370110 /nfs/dbraw/zinc/37/01/10/208370110.db2.gz LSWUIWHPEBYPJI-FQEVSTJZSA-N 2 0 374.529 0.549 10 0 FCAERP C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000118105344 208349186 /nfs/dbraw/zinc/34/91/86/208349186.db2.gz ZRDOYHLVSRAVDR-SFHVURJKSA-N 2 0 373.501 0.583 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000177687542 209031881 /nfs/dbraw/zinc/03/18/81/209031881.db2.gz HBUVMWZTINJMCV-MRXNPFEDSA-N 2 0 360.458 0.872 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000179966758 209089269 /nfs/dbraw/zinc/08/92/69/209089269.db2.gz MDJKIHULRPGMID-OAHLLOKOSA-N 2 0 362.478 0.641 10 0 FCAERP COC(=O)[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+](C)C1 ZINC000413325865 533478059 /nfs/dbraw/zinc/47/80/59/533478059.db2.gz UUUZBWJDPXMYBQ-HNSVSWJLSA-N 2 0 352.479 0.748 10 0 FCAERP O=C(NCc1ccccc1N1CCC(CO)CC1)C12C[NH2+]CC1C[NH2+]C2 ZINC000065468095 136136490 /nfs/dbraw/zinc/13/64/90/136136490.db2.gz PSBLTAAAVVQFON-UHFFFAOYSA-N 2 0 358.486 0.321 10 0 FCAERP CC[C@@H]1CN(C(=O)NC2CC[NH+](CCOC)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000184964736 488399067 /nfs/dbraw/zinc/39/90/67/488399067.db2.gz ZBWAXSFBICVWKB-NVXWUHKLSA-N 2 0 356.511 0.584 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000186620635 488407236 /nfs/dbraw/zinc/40/72/36/488407236.db2.gz QALRFGFZOBYLDZ-XJKSGUPXSA-N 2 0 369.535 0.919 10 0 FCAERP C[C@H](C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)CN1CC[NH+](C)CC1 ZINC000091320667 488463115 /nfs/dbraw/zinc/46/31/15/488463115.db2.gz QBVMFWQQFIPIDQ-CABCVRRESA-N 2 0 354.520 0.868 10 0 FCAERP C[NH+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)ccn1 ZINC000245457781 488464368 /nfs/dbraw/zinc/46/43/68/488464368.db2.gz JYWZSRXHSLXAPN-JKSUJKDBSA-N 2 0 359.474 0.730 10 0 FCAERP CC[C@@H]1CN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000246460976 488472910 /nfs/dbraw/zinc/47/29/10/488472910.db2.gz YTPXHJHAMWXNTB-FUHWJXTLSA-N 2 0 354.539 0.752 10 0 FCAERP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247815826 488490391 /nfs/dbraw/zinc/49/03/91/488490391.db2.gz WEIXSDJSEBUOLB-LSDHHAIUSA-N 2 0 356.511 0.881 10 0 FCAERP CC[C@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000248445940 488496793 /nfs/dbraw/zinc/49/67/93/488496793.db2.gz FKVJPYJOQGVVMC-WMZOPIPTSA-N 2 0 369.554 0.499 10 0 FCAERP COc1cc(CNC(=O)C2([NH3+])CCOCC2)ccc1OCC[NH+](C)C ZINC000261698443 488531485 /nfs/dbraw/zinc/53/14/85/488531485.db2.gz DPSFZTALFCZTDB-UHFFFAOYSA-N 2 0 351.447 0.760 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000119725002 488558637 /nfs/dbraw/zinc/55/86/37/488558637.db2.gz GAQJJYWGTSQHSU-ZBFHGGJFSA-N 2 0 364.494 0.572 10 0 FCAERP CCOc1ccc(NC(=O)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000562985636 491205982 /nfs/dbraw/zinc/20/59/82/491205982.db2.gz MGPMGZYUGQDDMO-MRXNPFEDSA-N 2 0 350.463 0.222 10 0 FCAERP COc1ccccc1N1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000562987426 491206208 /nfs/dbraw/zinc/20/62/08/491206208.db2.gz OSSUJGOQYVBCKC-SFHVURJKSA-N 2 0 362.518 0.862 10 0 FCAERP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000262371356 488566920 /nfs/dbraw/zinc/56/69/20/488566920.db2.gz WELGLYKMMXQRHZ-UHFFFAOYSA-N 2 0 362.474 0.350 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000562996708 491206697 /nfs/dbraw/zinc/20/66/97/491206697.db2.gz SDGPPGLCJHQTHL-LJQANCHMSA-N 3 0 367.582 0.135 10 0 FCAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCC[NH+]2CCCC2)CC1 ZINC000136857465 488679389 /nfs/dbraw/zinc/67/93/89/488679389.db2.gz GHORCIMRBYQQDU-QGZVFWFLSA-N 2 0 365.522 0.810 10 0 FCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000137208825 488680299 /nfs/dbraw/zinc/68/02/99/488680299.db2.gz UFIAGBKCKFCKRS-CVEARBPZSA-N 2 0 351.495 0.419 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000151562705 488706807 /nfs/dbraw/zinc/70/68/07/488706807.db2.gz OXZRWQAUGDMSAU-UHFFFAOYSA-N 2 0 362.478 0.470 10 0 FCAERP CC[N@H+](CC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)C1CC1 ZINC000152399820 488717621 /nfs/dbraw/zinc/71/76/21/488717621.db2.gz IHYDDOPQLGKLSM-UHFFFAOYSA-N 2 0 350.507 0.873 10 0 FCAERP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC(Cc2nccn2C)CC1 ZINC000155174856 488752424 /nfs/dbraw/zinc/75/24/24/488752424.db2.gz PLTYHUXSEHDITB-HIFRSBDPSA-N 2 0 368.503 0.366 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCC(CO)CC2)C1 ZINC000156276072 488763457 /nfs/dbraw/zinc/76/34/57/488763457.db2.gz MPWPUYDQEHSTKT-ABHNRTSZSA-N 2 0 355.523 0.942 10 0 FCAERP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000157660942 488772898 /nfs/dbraw/zinc/77/28/98/488772898.db2.gz WMZCZJWBCQLTDA-HNNXBMFYSA-N 2 0 355.508 0.863 10 0 FCAERP CC[N@@H+]1CC[C@@H](CNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000158273524 488777092 /nfs/dbraw/zinc/77/70/92/488777092.db2.gz HBTSOJODICQECO-KRWDZBQOSA-N 2 0 373.501 0.968 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000158689215 488779794 /nfs/dbraw/zinc/77/97/94/488779794.db2.gz XSUGHSUKYFXYFS-RBUKOAKNSA-N 2 0 360.502 0.812 10 0 FCAERP CC[C@@H]1CN(C(=O)NC2CC[NH+](CCOC)CC2)CC[N@@H+]1CCOC ZINC000172330999 488833094 /nfs/dbraw/zinc/83/30/94/488833094.db2.gz MPGKYTMMVXZQPC-QGZVFWFLSA-N 2 0 356.511 0.849 10 0 FCAERP CN1CCC(CNC(=O)NC[C@H]2CN(C)CCO2)([NH+]2CCCCC2)CC1 ZINC000174748351 488850812 /nfs/dbraw/zinc/85/08/12/488850812.db2.gz NCRCUEVYZLKUEY-KRWDZBQOSA-N 3 0 367.538 0.567 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000175353635 488853868 /nfs/dbraw/zinc/85/38/68/488853868.db2.gz BEZWXOAWTHNLDJ-ZWKOTPCHSA-N 2 0 354.539 0.876 10 0 FCAERP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCOCC[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000178636681 488860380 /nfs/dbraw/zinc/86/03/80/488860380.db2.gz PKTPLOIBMVUXMH-SYMSYNOKSA-N 2 0 354.495 0.175 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@@H](c2nc(=O)[nH][nH]2)C1)c1ccccc1 ZINC000289503024 489071789 /nfs/dbraw/zinc/07/17/89/489071789.db2.gz UJCYQHGVGPLDMT-CVEARBPZSA-N 2 0 372.473 0.697 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000365405173 489072389 /nfs/dbraw/zinc/07/23/89/489072389.db2.gz RUHMNPFRBUBRNL-QZTJIDSGSA-N 2 0 354.539 0.876 10 0 FCAERP COC(=O)[C@@]1(C)CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000366030409 489136748 /nfs/dbraw/zinc/13/67/48/489136748.db2.gz CWOGZHJUBPPLHH-QAPCUYQASA-N 2 0 355.479 0.344 10 0 FCAERP COC(=O)/C=C1/SCC(=O)N1CCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366484124 489187937 /nfs/dbraw/zinc/18/79/37/489187937.db2.gz RZRJBTWLDGTRDW-IUYQLWOBSA-N 2 0 353.488 0.994 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000563456264 491248903 /nfs/dbraw/zinc/24/89/03/491248903.db2.gz FHJFGBGJIZSYCI-RHSMWYFYSA-N 2 0 365.522 0.759 10 0 FCAERP CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000570645207 491255205 /nfs/dbraw/zinc/25/52/05/491255205.db2.gz CNUFANZRBRPRNH-MRXNPFEDSA-N 2 0 359.536 0.845 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000423210614 489502597 /nfs/dbraw/zinc/50/25/97/489502597.db2.gz KCQYDDPVYCDFLP-MRXNPFEDSA-N 2 0 366.506 0.158 10 0 FCAERP CN(C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000423273635 489509617 /nfs/dbraw/zinc/50/96/17/489509617.db2.gz LGPFQRGQXXJVFC-OKZBNKHCSA-N 2 0 356.470 0.635 10 0 FCAERP C[C@@H](CCNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+]1CCCCC1 ZINC000563627450 491259788 /nfs/dbraw/zinc/25/97/88/491259788.db2.gz AYOXQRZLQAFPQR-QFBILLFUSA-N 2 0 350.507 0.969 10 0 FCAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000451602270 489511594 /nfs/dbraw/zinc/51/15/94/489511594.db2.gz VAAQEJZMJQVVSX-BBWFWOEESA-N 2 0 369.506 0.781 10 0 FCAERP CC[C@@H](C)[NH+]1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000451820802 489525498 /nfs/dbraw/zinc/52/54/98/489525498.db2.gz FCPYVORQXPJZGE-MSOLQXFVSA-N 2 0 354.539 0.876 10 0 FCAERP C[NH+](C)CC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416137776 489571460 /nfs/dbraw/zinc/57/14/60/489571460.db2.gz SLAOCWIUCXOWFD-UHFFFAOYSA-N 2 0 358.486 0.667 10 0 FCAERP CC[C@H](COC)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000372817613 489639327 /nfs/dbraw/zinc/63/93/27/489639327.db2.gz IHWCFPDDJRRPPL-HZPDHXFCSA-N 2 0 363.506 0.848 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000417476187 489655804 /nfs/dbraw/zinc/65/58/04/489655804.db2.gz PZXLPAOAPZLNJH-RHSMWYFYSA-N 2 0 361.490 0.775 10 0 FCAERP O=C(NCCC[C@@H]1CCC[NH2+]1)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000417703277 489661702 /nfs/dbraw/zinc/66/17/02/489661702.db2.gz JXSNLLWPPFUZEH-KRWDZBQOSA-N 2 0 365.522 0.762 10 0 FCAERP [NH3+]CCCNC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000418313580 489690678 /nfs/dbraw/zinc/69/06/78/489690678.db2.gz QPFPIVSLTCNILO-KRWDZBQOSA-N 2 0 360.506 0.974 10 0 FCAERP [NH3+][C@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000418450722 489699175 /nfs/dbraw/zinc/69/91/75/489699175.db2.gz LWQDXENSHLQLAO-ZIAGYGMSSA-N 2 0 359.396 0.822 10 0 FCAERP [NH3+][C@H](CNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000418453354 489699345 /nfs/dbraw/zinc/69/93/45/489699345.db2.gz OZQZDBASZWUUNH-CGTJXYLNSA-N 2 0 373.501 0.976 10 0 FCAERP [NH3+][C@@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000418448081 489699371 /nfs/dbraw/zinc/69/93/71/489699371.db2.gz JEGDWYYGMDKZBN-KRWDZBQOSA-N 2 0 361.490 0.978 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418555757 489706822 /nfs/dbraw/zinc/70/68/22/489706822.db2.gz DUFYRIQJCDTQQI-NVXWUHKLSA-N 2 0 356.511 0.753 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000418555950 489707221 /nfs/dbraw/zinc/70/72/21/489707221.db2.gz DYBUHFWZOJIMDR-WCVJEAGWSA-N 2 0 351.495 0.274 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)NCC[NH+](C)C ZINC000418792545 489728210 /nfs/dbraw/zinc/72/82/10/489728210.db2.gz NSCPUAWDUXPOHH-VQHPVUNQSA-N 2 0 367.538 0.766 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418827852 489742577 /nfs/dbraw/zinc/74/25/77/489742577.db2.gz HJSKJCZVYREDOV-CVEARBPZSA-N 2 0 366.506 0.252 10 0 FCAERP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418833091 489745520 /nfs/dbraw/zinc/74/55/20/489745520.db2.gz ZUVODVURIPGGTH-FXAWDEMLSA-N 2 0 358.486 0.978 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418876815 489770856 /nfs/dbraw/zinc/77/08/56/489770856.db2.gz MXLCTYJJUVRLDF-QGZVFWFLSA-N 2 0 360.502 0.781 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418879291 489772454 /nfs/dbraw/zinc/77/24/54/489772454.db2.gz SLGHBIBJHBZXDV-FXAWDEMLSA-N 2 0 358.486 0.488 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[C@@H]1[NH3+] ZINC000418943347 489797998 /nfs/dbraw/zinc/79/79/98/489797998.db2.gz BMIXDAPBWMXEEM-WBMJQRKESA-N 2 0 350.438 0.699 10 0 FCAERP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000418968811 489807359 /nfs/dbraw/zinc/80/73/59/489807359.db2.gz UVXDTTYZYZVNFB-HNNXBMFYSA-N 2 0 364.465 0.962 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000432162275 489831136 /nfs/dbraw/zinc/83/11/36/489831136.db2.gz MJTBZTBQBMXMRV-UHFFFAOYSA-N 2 0 373.461 1.202 10 0 FCAERP CS[C@@H]1CN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1[NH+](C)C ZINC000377176851 489863580 /nfs/dbraw/zinc/86/35/80/489863580.db2.gz BQJPUJJWQTXWFB-IXDOHACOSA-N 2 0 372.579 0.437 10 0 FCAERP CN(C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419994647 489875822 /nfs/dbraw/zinc/87/58/22/489875822.db2.gz HMYVHCSEJOHMDS-MSOLQXFVSA-N 2 0 358.486 0.978 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)[C@H](C)C1 ZINC000420042815 489891072 /nfs/dbraw/zinc/89/10/72/489891072.db2.gz RBNDDSNUALIQGC-KBXIAJHMSA-N 2 0 354.495 0.404 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000420092334 489909788 /nfs/dbraw/zinc/90/97/88/489909788.db2.gz BTUSXFZRJYKYFF-HIFRSBDPSA-N 2 0 352.504 0.753 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000420116572 489918039 /nfs/dbraw/zinc/91/80/39/489918039.db2.gz HGKLDJUCVMCSCK-HIFRSBDPSA-N 2 0 352.504 0.753 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)o1 ZINC000420121390 489920181 /nfs/dbraw/zinc/92/01/81/489920181.db2.gz PHOJMDGCJIDONU-CJNGLKHVSA-N 2 0 350.463 0.592 10 0 FCAERP CC[NH+]1CCN(c2ccc(C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)cc2)CC1 ZINC000377564579 489920678 /nfs/dbraw/zinc/92/06/78/489920678.db2.gz OAGGXYPAYSHFLW-HXUWFJFHSA-N 2 0 371.529 0.948 10 0 FCAERP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)CC1 ZINC000420127819 489921808 /nfs/dbraw/zinc/92/18/08/489921808.db2.gz PIFKQSODKJRPEF-ODZFXCKXSA-N 2 0 350.507 0.824 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000477683862 489984870 /nfs/dbraw/zinc/98/48/70/489984870.db2.gz SKRRYQPAMIWULX-ZBFHGGJFSA-N 2 0 350.507 0.966 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000477734582 489988715 /nfs/dbraw/zinc/98/87/15/489988715.db2.gz UAJAXFNZAGVPBG-SJORKVTESA-N 2 0 365.522 0.807 10 0 FCAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000378247214 490032791 /nfs/dbraw/zinc/03/27/91/490032791.db2.gz KCNDIRWSFOIAFB-YLFCFFPRSA-N 2 0 359.536 0.842 10 0 FCAERP [NH3+]C[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000479065638 490065293 /nfs/dbraw/zinc/06/52/93/490065293.db2.gz RRSZHAXRMYKOQC-NVXWUHKLSA-N 2 0 362.449 0.538 10 0 FCAERP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000556170892 491299470 /nfs/dbraw/zinc/29/94/70/491299470.db2.gz LBWDPTYFWSSKHG-UHFFFAOYSA-N 2 0 366.506 0.302 10 0 FCAERP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000556170209 491299621 /nfs/dbraw/zinc/29/96/21/491299621.db2.gz JTGXPQZQCFJBNR-HNNXBMFYSA-N 2 0 356.511 0.308 10 0 FCAERP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000556172189 491300489 /nfs/dbraw/zinc/30/04/89/491300489.db2.gz VLLWCQHNOOABIG-MRXNPFEDSA-N 2 0 368.522 0.452 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000382750666 490129432 /nfs/dbraw/zinc/12/94/32/490129432.db2.gz FRMZZRFWDLBGRT-FUHWJXTLSA-N 2 0 367.515 0.901 10 0 FCAERP COCC[C@]1([NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC000447404084 490231716 /nfs/dbraw/zinc/23/17/16/490231716.db2.gz IFUPQDLAWFLXGF-AEFFLSMTSA-N 2 0 357.495 0.245 10 0 FCAERP C[C@H](CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C[NH+]1CCCC1 ZINC000556347895 491310477 /nfs/dbraw/zinc/31/04/77/491310477.db2.gz GZAHOEKBTHPXSD-MGNMYUMUSA-N 2 0 350.507 0.966 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)CC1=O ZINC000498480872 490300556 /nfs/dbraw/zinc/30/05/56/490300556.db2.gz BDPZRURKOYOHMB-KURKYZTESA-N 2 0 362.518 0.872 10 0 FCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000408370649 490317749 /nfs/dbraw/zinc/31/77/49/490317749.db2.gz NYUVDGUHCHSIEG-HOCLYGCPSA-N 2 0 374.489 0.783 10 0 FCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC000422471602 490340847 /nfs/dbraw/zinc/34/08/47/490340847.db2.gz JUEXDNNNZJTMON-WBVHZDCISA-N 2 0 355.442 0.893 10 0 FCAERP Cn1c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2n(c1=O)CCCC2 ZINC000448972600 490393075 /nfs/dbraw/zinc/39/30/75/490393075.db2.gz UBFHVASKTAHGJL-UHFFFAOYSA-N 2 0 365.522 0.869 10 0 FCAERP COc1nc(N2CC[NH+]3CCC2CC3)nc(N2CC[NH+]3CCC2CC3)n1 ZINC000468598470 490417180 /nfs/dbraw/zinc/41/71/80/490417180.db2.gz LZEMKFCUOLQRLI-UHFFFAOYSA-N 2 0 359.478 0.449 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000468755925 490444950 /nfs/dbraw/zinc/44/49/50/490444950.db2.gz AILFAYSZBSCAON-IRXDYDNUSA-N 2 0 351.495 0.198 10 0 FCAERP CC[NH+]1CCN(CC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000468843442 490456350 /nfs/dbraw/zinc/45/63/50/490456350.db2.gz GEFKZJKGPOHTAT-UHFFFAOYSA-N 2 0 362.518 0.923 10 0 FCAERP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)CC2)nc1 ZINC000422718490 490464516 /nfs/dbraw/zinc/46/45/16/490464516.db2.gz PUJKXQYLSZQGCN-OALUTQOASA-N 2 0 374.533 0.735 10 0 FCAERP c1cc(N2CCN(CCC[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)CC2)cc[nH+]1 ZINC000422843101 490485183 /nfs/dbraw/zinc/48/51/83/490485183.db2.gz HASBATVCYQAAGC-UXHICEINSA-N 2 0 359.518 0.950 10 0 FCAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000500119707 490485658 /nfs/dbraw/zinc/48/56/58/490485658.db2.gz AGDKUZAKKQTAPG-INIZCTEOSA-N 2 0 365.474 0.724 10 0 FCAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)CN2CCOCC2)(N2CCCCC2)CC1 ZINC000564853378 491331376 /nfs/dbraw/zinc/33/13/76/491331376.db2.gz BIRUXXWUQHHCOM-GOSISDBHSA-N 2 0 354.539 0.219 10 0 FCAERP CCOC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(CC)CC2)CC12COC2 ZINC000451138889 490520060 /nfs/dbraw/zinc/52/00/60/490520060.db2.gz REHNCJOMMHMLTN-HUUCEWRRSA-N 2 0 353.463 0.051 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423060450 490533101 /nfs/dbraw/zinc/53/31/01/490533101.db2.gz OKPLGZBTKDQBHQ-NQIIRXRSSA-N 2 0 370.497 0.931 10 0 FCAERP CCOc1c(OC)cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1OC ZINC000571994734 491341500 /nfs/dbraw/zinc/34/15/00/491341500.db2.gz YAROZOPJFJAJRG-MRXNPFEDSA-N 2 0 367.490 0.800 10 0 FCAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000502054022 490673064 /nfs/dbraw/zinc/67/30/64/490673064.db2.gz KLUVETOXSSOLQP-ZWKOTPCHSA-N 2 0 352.523 0.583 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000514933716 490798599 /nfs/dbraw/zinc/79/85/99/490798599.db2.gz WEIAQTWLYSRGGB-CZUORRHYSA-N 2 0 368.428 0.268 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000514933717 490798680 /nfs/dbraw/zinc/79/86/80/490798680.db2.gz WEIAQTWLYSRGGB-XJKSGUPXSA-N 2 0 368.428 0.268 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000515386401 490823753 /nfs/dbraw/zinc/82/37/53/490823753.db2.gz MBWLNBBWVLZBNN-MLHJIOFPSA-N 2 0 352.523 0.519 10 0 FCAERP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000557246416 491361959 /nfs/dbraw/zinc/36/19/59/491361959.db2.gz FZJXTSKHOJMABU-HZPDHXFCSA-N 2 0 368.428 0.942 10 0 FCAERP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000516665087 490873833 /nfs/dbraw/zinc/87/38/33/490873833.db2.gz UDYZOSBUOXKVMN-HIFPTAJRSA-N 2 0 362.396 0.386 10 0 FCAERP CN(CCC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1cc[nH+]cc1 ZINC000541856411 490875512 /nfs/dbraw/zinc/87/55/12/490875512.db2.gz YMOLOOGQILSTAK-QGZVFWFLSA-N 2 0 359.474 0.673 10 0 FCAERP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241074 490895094 /nfs/dbraw/zinc/89/50/94/490895094.db2.gz PLMCTCMHZLRUOV-MRXNPFEDSA-N 2 0 364.490 0.942 10 0 FCAERP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)NC(=O)NC1CCCC1 ZINC000530238446 490895144 /nfs/dbraw/zinc/89/51/44/490895144.db2.gz NPJAJAXHCNCTCH-INIZCTEOSA-N 2 0 352.479 0.845 10 0 FCAERP Cc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c(N2CCOCC2)c1 ZINC000517230554 490900128 /nfs/dbraw/zinc/90/01/28/490900128.db2.gz GKXYCDMIOGROCP-IBGZPJMESA-N 2 0 362.518 0.530 10 0 FCAERP CC[NH+](CC)CCOCCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000542675753 490904097 /nfs/dbraw/zinc/90/40/97/490904097.db2.gz CJXHONBIYCZJFS-UHFFFAOYSA-N 2 0 363.506 0.922 10 0 FCAERP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000517341087 490904658 /nfs/dbraw/zinc/90/46/58/490904658.db2.gz INWAGTIVSHBIGM-FQEVSTJZSA-N 2 0 358.486 0.967 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)Cc1ccccc1 ZINC000518346503 490937073 /nfs/dbraw/zinc/93/70/73/490937073.db2.gz HRILNNLGRPTCHE-FQEVSTJZSA-N 2 0 358.486 0.837 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCCn2cc(Br)cn2)CC1 ZINC000518759156 490950410 /nfs/dbraw/zinc/95/04/10/490950410.db2.gz LNFXLMJANBVUPB-OAHLLOKOSA-N 2 0 374.327 0.624 10 0 FCAERP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000519156703 490963588 /nfs/dbraw/zinc/96/35/88/490963588.db2.gz GUZUQAMCFSDUTC-BETUJISGSA-N 2 0 352.460 0.204 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3ncc[nH]3)CC2)C1 ZINC000569496192 491164465 /nfs/dbraw/zinc/16/44/65/491164465.db2.gz OLMJLCZINOUEAW-INIZCTEOSA-N 3 0 364.494 0.005 10 0 FCAERP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000557403054 491372690 /nfs/dbraw/zinc/37/26/90/491372690.db2.gz IQSRKJCNPCQGNO-QGZVFWFLSA-N 2 0 350.507 0.991 10 0 FCAERP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000572499298 491374480 /nfs/dbraw/zinc/37/44/80/491374480.db2.gz OWVGHTYUXXJNAE-KURKYZTESA-N 2 0 363.481 0.898 10 0 FCAERP CN(C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000557479983 491376963 /nfs/dbraw/zinc/37/69/63/491376963.db2.gz IUAYHMMINLEDFV-MRXNPFEDSA-N 2 0 350.507 0.920 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000565956185 491409306 /nfs/dbraw/zinc/40/93/06/491409306.db2.gz CYILCDWKHRQYKH-UHFFFAOYSA-N 2 0 368.522 0.452 10 0 FCAERP Cc1cc(N2CCC([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)CC2)nc(C)n1 ZINC000573317478 491425622 /nfs/dbraw/zinc/42/56/22/491425622.db2.gz JVDCZGKLHOGCSL-GOSISDBHSA-N 2 0 362.522 0.260 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000573340410 491427427 /nfs/dbraw/zinc/42/74/27/491427427.db2.gz WMBINKSEAIJVQD-LJQANCHMSA-N 2 0 365.522 0.762 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000566304031 491434063 /nfs/dbraw/zinc/43/40/63/491434063.db2.gz ORTOPQCCAOLDAP-FGTMMUONSA-N 3 0 352.523 0.391 10 0 FCAERP O=C(CCOC1C[NH2+]C1)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000573484515 491436356 /nfs/dbraw/zinc/43/63/56/491436356.db2.gz AXYYSBCKNFNMFY-UHFFFAOYSA-N 2 0 374.485 0.507 10 0 FCAERP CN(C(=O)C(=O)NCC1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574025431 491469233 /nfs/dbraw/zinc/46/92/33/491469233.db2.gz PLTIEUOUZHALDK-SFHVURJKSA-N 2 0 358.486 0.835 10 0 FCAERP COC[C@@]1(CNC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCC[NH2+]1 ZINC000574142694 491476928 /nfs/dbraw/zinc/47/69/28/491476928.db2.gz NSKHIXORUKLRDW-MJGOQNOKSA-N 2 0 367.538 0.567 10 0 FCAERP CCN(C(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CC[N@H+](CC)C1 ZINC000668388766 493345643 /nfs/dbraw/zinc/34/56/43/493345643.db2.gz KAZTVTXNMKNNOX-IAGOWNOFSA-N 2 0 368.522 0.402 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)cn2)CC1 ZINC000574426126 491495515 /nfs/dbraw/zinc/49/55/15/491495515.db2.gz NEDYURUJGBSDBS-INIZCTEOSA-N 2 0 362.478 0.011 10 0 FCAERP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000559830439 491503115 /nfs/dbraw/zinc/50/31/15/491503115.db2.gz FFXGDVRAVXZNRE-SJORKVTESA-N 2 0 366.506 0.158 10 0 FCAERP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000559905353 491509113 /nfs/dbraw/zinc/50/91/13/491509113.db2.gz VQLUVIHVQXNHSM-YOEHRIQHSA-N 2 0 350.507 0.918 10 0 FCAERP CC(C)[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)N1CC[NH+](C)CC1 ZINC000560056576 491518174 /nfs/dbraw/zinc/51/81/74/491518174.db2.gz WPRQWMKIAYOHMN-OGNFBWPZSA-N 2 0 366.550 0.907 10 0 FCAERP C[C@@H](NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000561028304 491571450 /nfs/dbraw/zinc/57/14/50/491571450.db2.gz UMLAJPZSETWFOP-HPUBIQBYSA-N 2 0 350.507 0.990 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000568405411 491575322 /nfs/dbraw/zinc/57/53/22/491575322.db2.gz UJQWSBMEPCODMC-KRWDZBQOSA-N 2 0 366.506 0.300 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000561120646 491575922 /nfs/dbraw/zinc/57/59/22/491575922.db2.gz 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C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000643526150 492490792 /nfs/dbraw/zinc/49/07/92/492490792.db2.gz QUQIQOGRYXCFSA-ZACQAIPSSA-N 2 0 350.507 0.918 10 0 FCAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)CC2 ZINC000643526304 492490930 /nfs/dbraw/zinc/49/09/30/492490930.db2.gz YIETWMWPPAQSSW-TWMKSMIVSA-N 2 0 350.507 0.903 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccccc1OCC[NH+](C)C ZINC000649077701 492493217 /nfs/dbraw/zinc/49/32/17/492493217.db2.gz YCGNNUCIQMBCIR-OAHLLOKOSA-N 2 0 362.474 0.819 10 0 FCAERP C[C@@H]1CN(C(=O)C[C@@H]2CC[NH+](C)C2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635810905 492508048 /nfs/dbraw/zinc/50/80/48/492508048.db2.gz DTSUJQCMQAWMIU-IKGGRYGDSA-N 2 0 350.507 0.729 10 0 FCAERP C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023806 492520482 /nfs/dbraw/zinc/52/04/82/492520482.db2.gz FSHDHVCBUCJWGS-HGTKMLMNSA-N 2 0 354.495 0.234 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656029401 492522347 /nfs/dbraw/zinc/52/23/47/492522347.db2.gz ZHPMBZROYNMWTE-SJORKVTESA-N 2 0 366.506 0.347 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000656039862 492522816 /nfs/dbraw/zinc/52/28/16/492522816.db2.gz JLPIDMNVOKDBSK-XLNGHYISSA-N 2 0 366.506 0.188 10 0 FCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656077060 492537942 /nfs/dbraw/zinc/53/79/42/492537942.db2.gz JQFOLFHYMBOIOA-GASCZTMLSA-N 2 0 350.463 0.626 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000656084220 492545783 /nfs/dbraw/zinc/54/57/83/492545783.db2.gz WROHLZASUVYTAD-LMSBXDPUSA-N 2 0 362.518 0.918 10 0 FCAERP C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656086096 492546951 /nfs/dbraw/zinc/54/69/51/492546951.db2.gz QKODSKILMXRUEO-WCVJEAGWSA-N 2 0 354.495 0.153 10 0 FCAERP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCN(c2ncccn2)CC1 ZINC000649415205 492552453 /nfs/dbraw/zinc/55/24/53/492552453.db2.gz PFYGTMXTABYWQG-QZTJIDSGSA-N 2 0 372.517 0.979 10 0 FCAERP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCN(c2ncccn2)CC1 ZINC000649415207 492552769 /nfs/dbraw/zinc/55/27/69/492552769.db2.gz PFYGTMXTABYWQG-ZWKOTPCHSA-N 2 0 372.517 0.979 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656299804 492577322 /nfs/dbraw/zinc/57/73/22/492577322.db2.gz CBCYCCUZVIDYOK-OKZBNKHCSA-N 2 0 360.502 0.732 10 0 FCAERP COC[C@@H]1C[C@@H](O)C[NH+]1Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2COC)c1 ZINC000649743996 492578748 /nfs/dbraw/zinc/57/87/48/492578748.db2.gz JSARCUNJYORZMY-VNTMZGSJSA-N 2 0 364.486 0.850 10 0 FCAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656304168 492579547 /nfs/dbraw/zinc/57/95/47/492579547.db2.gz SFHVZKAJJFKKKG-BQJWPVKWSA-N 2 0 352.523 0.925 10 0 FCAERP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656334919 492598532 /nfs/dbraw/zinc/59/85/32/492598532.db2.gz UWPDWFPSTPDJDU-NPCUJANDSA-N 2 0 366.506 0.199 10 0 FCAERP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656334920 492598571 /nfs/dbraw/zinc/59/85/71/492598571.db2.gz UWPDWFPSTPDJDU-WVCIDPQESA-N 2 0 366.506 0.199 10 0 FCAERP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000629594462 492657832 /nfs/dbraw/zinc/65/78/32/492657832.db2.gz CXNKNYBOJLUFBM-GOEBONIOSA-N 2 0 355.504 0.999 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650809262 492668782 /nfs/dbraw/zinc/66/87/82/492668782.db2.gz BWLZQRDFQWALJX-UHFFFAOYSA-N 2 0 353.511 0.524 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCC(C[NH+]3CCCC3)CC1)C2 ZINC000629789275 492672937 /nfs/dbraw/zinc/67/29/37/492672937.db2.gz QQKALNWLQHZEFX-BGYRXZFFSA-N 2 0 362.518 0.779 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629793176 492674562 /nfs/dbraw/zinc/67/45/62/492674562.db2.gz AONPTMFGDTZVSK-LZQZEXGQSA-N 2 0 366.506 0.014 10 0 FCAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000629801704 492679165 /nfs/dbraw/zinc/67/91/65/492679165.db2.gz OHGITTQEBABQPJ-AHRSYUTCSA-N 2 0 362.518 0.635 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000629807181 492682388 /nfs/dbraw/zinc/68/23/88/492682388.db2.gz AVNHETSXCQEADZ-SFHVURJKSA-N 2 0 366.506 0.287 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)CCC[NH2+]C)CC1 ZINC000629808896 492682832 /nfs/dbraw/zinc/68/28/32/492682832.db2.gz KBJZXPFKWCQWMU-UHFFFAOYSA-N 2 0 354.495 0.158 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000629822899 492688708 /nfs/dbraw/zinc/68/87/08/492688708.db2.gz QYOUMGASGRKHCO-MRXNPFEDSA-N 2 0 366.506 0.300 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1=O ZINC000650995729 492693009 /nfs/dbraw/zinc/69/30/09/492693009.db2.gz NWRYVXJFTRJIEJ-MJGOQNOKSA-N 2 0 373.501 0.847 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644297573 492696482 /nfs/dbraw/zinc/69/64/82/492696482.db2.gz BSMNMOQDLYWCSI-LSDHHAIUSA-N 2 0 355.508 0.386 10 0 FCAERP CN1CCN(C(=O)CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000629959119 492708909 /nfs/dbraw/zinc/70/89/09/492708909.db2.gz MHPBHWKHOGEDJO-UHFFFAOYSA-N 2 0 350.507 0.873 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@]1(O)CCOC1 ZINC000651281574 492734451 /nfs/dbraw/zinc/73/44/51/492734451.db2.gz ZFWJOWLVBKNMHM-AEFFLSMTSA-N 2 0 356.511 0.585 10 0 FCAERP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC(=O)N1Cc1ccccc1 ZINC000644639450 492793891 /nfs/dbraw/zinc/79/38/91/492793891.db2.gz YNJVKCRTMOQGBT-QRQLOZEOSA-N 2 0 360.502 0.374 10 0 FCAERP CCN1C(=O)CO[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)[C@H]1c1nccn1C ZINC000625566913 492822649 /nfs/dbraw/zinc/82/26/49/492822649.db2.gz QXRZCFHZKYCBOC-QEJZJMRPSA-N 2 0 351.451 0.165 10 0 FCAERP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631644214 492828544 /nfs/dbraw/zinc/82/85/44/492828544.db2.gz DJFZAIYMDNZVOF-UHFFFAOYSA-N 2 0 350.510 0.743 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC000631676153 492833076 /nfs/dbraw/zinc/83/30/76/492833076.db2.gz SFRXKURIHYJMQA-HRCADAONSA-N 2 0 359.536 0.684 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000651902639 492844579 /nfs/dbraw/zinc/84/45/79/492844579.db2.gz RTUPGQOKCIOFEM-UHFFFAOYSA-N 2 0 358.446 0.722 10 0 FCAERP CCN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CC[N@H+](C)C1 ZINC000658361736 492864815 /nfs/dbraw/zinc/86/48/15/492864815.db2.gz OPPISTBGMQTYOE-HNNXBMFYSA-N 2 0 362.478 0.641 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCc1cn2ccccc2n1 ZINC000645127735 492870352 /nfs/dbraw/zinc/87/03/52/492870352.db2.gz JUDJCODSVZNVCG-AWEZNQCLSA-N 2 0 358.446 0.638 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000631909669 492875851 /nfs/dbraw/zinc/87/58/51/492875851.db2.gz LLVYZVXMBMPSJI-IRXDYDNUSA-N 2 0 353.488 0.731 10 0 FCAERP C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631913793 492879174 /nfs/dbraw/zinc/87/91/74/492879174.db2.gz IDMVFBGAHCFCMT-INIZCTEOSA-N 2 0 359.467 0.508 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000631916840 492882883 /nfs/dbraw/zinc/88/28/83/492882883.db2.gz ASJXDGGXYMEOJI-QZTJIDSGSA-N 2 0 367.515 0.459 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000658426214 492884633 /nfs/dbraw/zinc/88/46/33/492884633.db2.gz GGTKFWBHNLKMRT-UHFFFAOYSA-N 2 0 373.461 0.206 10 0 FCAERP C[C@H](CNS(=O)(=O)C[C@@H]1CN(C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000631939928 492892724 /nfs/dbraw/zinc/89/27/24/492892724.db2.gz LKGKHTSAUDDCBF-WBVHZDCISA-N 2 0 355.504 0.757 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000631946685 492894894 /nfs/dbraw/zinc/89/48/94/492894894.db2.gz HJUJPQVKXNWJFI-GOSISDBHSA-N 2 0 366.531 0.512 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000631950129 492896079 /nfs/dbraw/zinc/89/60/79/492896079.db2.gz AABARVOIEBUHLO-JYJNAYRXSA-N 2 0 357.451 0.179 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631993603 492906377 /nfs/dbraw/zinc/90/63/77/492906377.db2.gz VHIAOQSAQSTILT-JKSUJKDBSA-N 2 0 369.535 0.824 10 0 FCAERP COCCCS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363077 492916170 /nfs/dbraw/zinc/91/61/70/492916170.db2.gz XHWRGAILEWEIMJ-XHSDSOJGSA-N 2 0 363.524 0.303 10 0 FCAERP Cc1c(C(=O)N(C)C)occ1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000645517011 492919331 /nfs/dbraw/zinc/91/93/31/492919331.db2.gz CBSKTGVEPUUPMP-UHFFFAOYSA-N 2 0 374.507 0.404 10 0 FCAERP C[NH+](Cc1cncc(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626040201 492921508 /nfs/dbraw/zinc/92/15/08/492921508.db2.gz ZCAHYHUYLUKPFY-HMQPTBHHSA-N 2 0 359.474 0.473 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000645622600 492945727 /nfs/dbraw/zinc/94/57/27/492945727.db2.gz LMVCEJWQXJXKSV-GDBMZVCRSA-N 2 0 374.489 0.641 10 0 FCAERP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCC3(C[NH3+])CC3)c2)CC1 ZINC000652635377 492974162 /nfs/dbraw/zinc/97/41/62/492974162.db2.gz UPERCDWQAKHXQW-UHFFFAOYSA-N 2 0 373.501 0.618 10 0 FCAERP CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)C[C@@H]1CN(C)CCO1)c1ccco1 ZINC000632328632 492974136 /nfs/dbraw/zinc/97/41/36/492974136.db2.gz FUTUNNCIXQOTMH-KKUMJFAQSA-N 2 0 359.492 0.959 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000652666579 492982423 /nfs/dbraw/zinc/98/24/23/492982423.db2.gz LWWXGOREXUMMNH-HZSPNIEDSA-N 2 0 368.503 0.289 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652668790 492983236 /nfs/dbraw/zinc/98/32/36/492983236.db2.gz MQVBHAQJPQGEJC-XMTFNYHQSA-N 2 0 374.485 0.370 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652673527 492984521 /nfs/dbraw/zinc/98/45/21/492984521.db2.gz SNUPICHVQQPWBH-KLHDSHLOSA-N 2 0 354.495 0.045 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673529 492984662 /nfs/dbraw/zinc/98/46/62/492984662.db2.gz SNUPICHVQQPWBH-ZJIFWQFVSA-N 2 0 354.495 0.045 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652673528 492984930 /nfs/dbraw/zinc/98/49/30/492984930.db2.gz SNUPICHVQQPWBH-QKPAOTATSA-N 2 0 354.495 0.045 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C[NH3+] ZINC000652676957 492986586 /nfs/dbraw/zinc/98/65/86/492986586.db2.gz LNRWNDZCKLFGKT-BRWVUGGUSA-N 2 0 368.522 0.293 10 0 FCAERP CCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)CC1 ZINC000652679664 492987391 /nfs/dbraw/zinc/98/73/91/492987391.db2.gz KTZUPSKMNGZWHB-GDBMZVCRSA-N 2 0 354.495 0.189 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652683018 492988988 /nfs/dbraw/zinc/98/89/88/492988988.db2.gz AYIXIQWYTIYDMT-GVDBMIGSSA-N 2 0 368.522 0.437 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652693050 492992047 /nfs/dbraw/zinc/99/20/47/492992047.db2.gz KVJOHKHMVSMDIS-UHFFFAOYSA-N 2 0 354.495 0.237 10 0 FCAERP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000652694804 492992627 /nfs/dbraw/zinc/99/26/27/492992627.db2.gz HOHUDAONVOLDGQ-UHFFFAOYSA-N 2 0 361.490 0.622 10 0 FCAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009389 493000359 /nfs/dbraw/zinc/00/03/59/493000359.db2.gz GFSFQSDLJPTQMS-RCCFBDPRSA-N 2 0 352.523 0.807 10 0 FCAERP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000652723146 493003765 /nfs/dbraw/zinc/00/37/65/493003765.db2.gz OSCKCNXIONYQMS-KRWDZBQOSA-N 2 0 350.507 0.969 10 0 FCAERP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626804833 493021907 /nfs/dbraw/zinc/02/19/07/493021907.db2.gz YNKDVUJOVQSFQT-UHFFFAOYSA-N 2 0 360.458 0.907 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000632591576 493037808 /nfs/dbraw/zinc/03/78/08/493037808.db2.gz BEBWSZBACBRNDQ-GOSISDBHSA-N 2 0 372.579 0.950 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000626858387 493038521 /nfs/dbraw/zinc/03/85/21/493038521.db2.gz GWOIOUJRTYHDJS-UHFFFAOYSA-N 2 0 364.446 0.190 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000626865781 493041036 /nfs/dbraw/zinc/04/10/36/493041036.db2.gz BVZSUHYRWLBJPW-ZWKOTPCHSA-N 2 0 373.501 0.629 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000626874831 493044826 /nfs/dbraw/zinc/04/48/26/493044826.db2.gz PFXMMEGDODGHKL-UHFFFAOYSA-N 2 0 360.458 0.797 10 0 FCAERP CCCN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658773132 493048267 /nfs/dbraw/zinc/04/82/67/493048267.db2.gz XAFLNDDPVANLDM-IAGOWNOFSA-N 2 0 368.522 0.498 10 0 FCAERP CCN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]1CC[N@H+](C)C1 ZINC000658803192 493061005 /nfs/dbraw/zinc/06/10/05/493061005.db2.gz NVKLHIFKELBXAC-JKSUJKDBSA-N 2 0 354.495 0.108 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C[NH2+]1 ZINC000626965721 493071171 /nfs/dbraw/zinc/07/11/71/493071171.db2.gz LHIOVFPOYURYGF-RHSMWYFYSA-N 2 0 361.490 0.918 10 0 FCAERP CCN(C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658826047 493073169 /nfs/dbraw/zinc/07/31/69/493073169.db2.gz NAPRGFCZZGJYML-INIZCTEOSA-N 2 0 368.522 0.498 10 0 FCAERP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000653119889 493073643 /nfs/dbraw/zinc/07/36/43/493073643.db2.gz ZZZVUUYTFBNUBS-KRWDZBQOSA-N 2 0 361.490 0.730 10 0 FCAERP CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000626986208 493075496 /nfs/dbraw/zinc/07/54/96/493075496.db2.gz DGIAFRDILUFMDQ-QRQLOZEOSA-N 2 0 351.539 0.901 10 0 FCAERP C[NH2+]CCOCCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000626988749 493075778 /nfs/dbraw/zinc/07/57/78/493075778.db2.gz LDEMCOIIAUJDOF-UHFFFAOYSA-N 2 0 355.527 0.472 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[NH2+]1 ZINC000627035020 493083204 /nfs/dbraw/zinc/08/32/04/493083204.db2.gz SUADAJGRZUKVGM-BLNMRFBMSA-N 2 0 351.495 0.510 10 0 FCAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627153913 493097213 /nfs/dbraw/zinc/09/72/13/493097213.db2.gz POUOZCFKTMHONK-IAGOWNOFSA-N 2 0 367.538 0.694 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CCO1 ZINC000658926459 493111940 /nfs/dbraw/zinc/11/19/40/493111940.db2.gz CCBCWYAZJDNKMR-GVDBMIGSSA-N 2 0 366.506 0.108 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@H]5C[N@@H+](C)C[C@H]54)o3)[C@@H]2C1 ZINC000646915800 493125622 /nfs/dbraw/zinc/12/56/22/493125622.db2.gz VHUYCLMIOFMHOL-QKPAOTATSA-N 2 0 372.469 0.832 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)CC1 ZINC000633104824 493128248 /nfs/dbraw/zinc/12/82/48/493128248.db2.gz DNCWUAWRLDOZJJ-INIZCTEOSA-N 2 0 350.507 0.921 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000633110315 493130869 /nfs/dbraw/zinc/13/08/69/493130869.db2.gz HLRAKDVEOVWNQK-BHIYHBOVSA-N 2 0 372.513 0.815 10 0 FCAERP C[C@@]1(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000627286981 493133391 /nfs/dbraw/zinc/13/33/91/493133391.db2.gz GBCRDEICJSRAFL-PXNSSMCTSA-N 2 0 374.485 0.262 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633120857 493133761 /nfs/dbraw/zinc/13/37/61/493133761.db2.gz VIJWQBLVSBKJDQ-CABCVRRESA-N 2 0 352.479 0.038 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000627287979 493134342 /nfs/dbraw/zinc/13/43/42/493134342.db2.gz KYKYCZYALFTJAN-JKSUJKDBSA-N 2 0 366.506 0.252 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000627291832 493136079 /nfs/dbraw/zinc/13/60/79/493136079.db2.gz GGQPGWLCFHNULX-MJBXVCDLSA-N 2 0 350.488 0.868 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627292392 493136743 /nfs/dbraw/zinc/13/67/43/493136743.db2.gz UAMLVKUGKPGMJK-MRXNPFEDSA-N 2 0 360.458 0.001 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000627292297 493136845 /nfs/dbraw/zinc/13/68/45/493136845.db2.gz QPXCICRFVMUZEX-SJORKVTESA-N 2 0 358.486 0.676 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)[NH+](C)C)c1 ZINC000627292451 493136920 /nfs/dbraw/zinc/13/69/20/493136920.db2.gz VKWHBVNINBLEAZ-DLBZAZTESA-N 2 0 374.485 0.815 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCOCC1 ZINC000627292393 493136999 /nfs/dbraw/zinc/13/69/99/493136999.db2.gz UDYALESVQMPRHX-KRWDZBQOSA-N 2 0 374.485 0.564 10 0 FCAERP CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659071307 493138399 /nfs/dbraw/zinc/13/83/99/493138399.db2.gz JTQUHRFVZQXSRE-QGZVFWFLSA-N 2 0 360.458 0.887 10 0 FCAERP O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659071528 493138451 /nfs/dbraw/zinc/13/84/51/493138451.db2.gz NYQSNZHQNONKMH-KRWDZBQOSA-N 2 0 360.458 0.888 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000627297698 493140672 /nfs/dbraw/zinc/14/06/72/493140672.db2.gz QWWBHDMVSOEXSZ-DLBZAZTESA-N 2 0 362.474 0.242 10 0 FCAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000659076924 493141843 /nfs/dbraw/zinc/14/18/43/493141843.db2.gz BTRMLDFLRQYRRB-ROUUACIJSA-N 2 0 372.469 0.983 10 0 FCAERP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659077485 493141961 /nfs/dbraw/zinc/14/19/61/493141961.db2.gz DRNRNLZZHLXYKT-PBHICJAKSA-N 2 0 360.458 0.696 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659079283 493143390 /nfs/dbraw/zinc/14/33/90/493143390.db2.gz MMDJWQBYZDHVOQ-IAGOWNOFSA-N 2 0 360.458 0.887 10 0 FCAERP C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659082029 493144754 /nfs/dbraw/zinc/14/47/54/493144754.db2.gz ZHJNZHUUYPCNRS-MRXNPFEDSA-N 2 0 362.474 0.990 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000627311797 493145844 /nfs/dbraw/zinc/14/58/44/493145844.db2.gz HUWSFUYAJACPCU-DOTOQJQBSA-N 2 0 362.474 0.290 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)[C@@H](C)C1 ZINC000627313688 493147815 /nfs/dbraw/zinc/14/78/15/493147815.db2.gz KQRAQUSVXSMXBQ-MWDXBVQZSA-N 2 0 368.522 0.496 10 0 FCAERP CCCN(C(=O)C(=O)NC[C@H]1CCC[NH+]1CCOC)[C@@H]1CC[N@H+](C)C1 ZINC000647025806 493147918 /nfs/dbraw/zinc/14/79/18/493147918.db2.gz SBCRLFMHRURQIE-HZPDHXFCSA-N 2 0 354.495 0.156 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000627321624 493152219 /nfs/dbraw/zinc/15/22/19/493152219.db2.gz UDKHVMDKCLFJMZ-GLQYFDAESA-N 2 0 352.866 0.926 10 0 FCAERP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659102504 493153515 /nfs/dbraw/zinc/15/35/15/493153515.db2.gz DGCSYPGRJPMLNS-SJORKVTESA-N 2 0 360.458 0.887 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627328964 493156174 /nfs/dbraw/zinc/15/61/74/493156174.db2.gz UWRGHUIJXUSTEB-OAHLLOKOSA-N 2 0 354.495 0.095 10 0 FCAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627332945 493158070 /nfs/dbraw/zinc/15/80/70/493158070.db2.gz OGGJMHHMCWUUJW-OAHLLOKOSA-N 2 0 354.495 0.381 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000627334450 493158996 /nfs/dbraw/zinc/15/89/96/493158996.db2.gz RAKSHFADOPVFCM-QGZVFWFLSA-N 2 0 368.522 0.594 10 0 FCAERP [NH3+]CCCOCCNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627337023 493159898 /nfs/dbraw/zinc/15/98/98/493159898.db2.gz QOWGUBJWAMJZSP-KRWDZBQOSA-N 2 0 362.474 0.249 10 0 FCAERP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000627342553 493163428 /nfs/dbraw/zinc/16/34/28/493163428.db2.gz JBDUQVYVRNFWBB-ZBFHGGJFSA-N 2 0 364.490 0.004 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[NH2+]1 ZINC000627354092 493171913 /nfs/dbraw/zinc/17/19/13/493171913.db2.gz SIAQIPFXQYZTOS-YOEHRIQHSA-N 2 0 358.486 0.459 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672454341 493178575 /nfs/dbraw/zinc/17/85/75/493178575.db2.gz FBOJUSUOMWPPLY-MRXNPFEDSA-N 2 0 356.511 0.849 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627367445 493182636 /nfs/dbraw/zinc/18/26/36/493182636.db2.gz UNTCXOOECPEQSH-DZJNRPSUSA-N 2 0 358.486 0.880 10 0 FCAERP O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCN(Cc2ccsc2)CC1 ZINC000653827978 493187236 /nfs/dbraw/zinc/18/72/36/493187236.db2.gz AOLOHFHVAVNHHT-DLBZAZTESA-N 2 0 364.515 0.143 10 0 FCAERP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000627388950 493197414 /nfs/dbraw/zinc/19/74/14/493197414.db2.gz MYYXBOLEGKLVQG-OYRHEFFESA-N 2 0 372.513 0.865 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627392912 493200155 /nfs/dbraw/zinc/20/01/55/493200155.db2.gz JHUOMDIHWMUANC-KBPBESRZSA-N 2 0 354.495 0.249 10 0 FCAERP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654012732 493202811 /nfs/dbraw/zinc/20/28/11/493202811.db2.gz BUBDNRLSHUKVLN-LSDHHAIUSA-N 2 0 361.446 0.130 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000627424905 493212841 /nfs/dbraw/zinc/21/28/41/493212841.db2.gz ZILHKJIVCFRHOJ-UHFFFAOYSA-N 2 0 366.506 0.206 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000627425325 493213416 /nfs/dbraw/zinc/21/34/16/493213416.db2.gz MAFZOAQYWSWCJC-RVMXOQNASA-N 2 0 364.412 0.429 10 0 FCAERP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)n1 ZINC000659629660 493224180 /nfs/dbraw/zinc/22/41/80/493224180.db2.gz YCRRJTVXUPNSJV-CABCVRRESA-N 2 0 374.420 0.806 10 0 FCAERP CCc1ccc([C@@H](CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[NH+](C)C)cc1 ZINC000659673409 493244027 /nfs/dbraw/zinc/24/40/27/493244027.db2.gz DKTMQMODXLMBCI-RYZJOYRSSA-N 2 0 358.486 0.918 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000659679324 493246933 /nfs/dbraw/zinc/24/69/33/493246933.db2.gz HDKMXAVNOSIXKW-IXDOHACOSA-N 2 0 368.522 0.360 10 0 FCAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659689404 493254479 /nfs/dbraw/zinc/25/44/79/493254479.db2.gz CJQAWJRWWUMRGS-BQTBQCLESA-N 2 0 371.485 0.673 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000659694103 493257067 /nfs/dbraw/zinc/25/70/67/493257067.db2.gz FGVIGSYOEKYRJU-UHFFFAOYSA-N 2 0 357.458 0.030 10 0 FCAERP C[C@@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659696748 493258442 /nfs/dbraw/zinc/25/84/42/493258442.db2.gz MUTZCQQPJHHNHC-BQSYYEAHSA-N 2 0 370.497 0.881 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000659697159 493258466 /nfs/dbraw/zinc/25/84/66/493258466.db2.gz TZKOEHKDKISTGM-HZPDHXFCSA-N 2 0 362.449 0.100 10 0 FCAERP CC[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000659697952 493259387 /nfs/dbraw/zinc/25/93/87/493259387.db2.gz LUUNNXIUYWRVGD-GFBDMGBSSA-N 2 0 370.497 0.808 10 0 FCAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659702004 493262565 /nfs/dbraw/zinc/26/25/65/493262565.db2.gz KPKBWXDQFFCYCL-KURKYZTESA-N 2 0 362.518 0.968 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000659707099 493265021 /nfs/dbraw/zinc/26/50/21/493265021.db2.gz HNXLIVLORYMHLI-MRXNPFEDSA-N 2 0 352.454 0.863 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536746961 /nfs/dbraw/zinc/74/69/61/536746961.db2.gz NAMOYLHAHUUSEA-HIFRSBDPSA-N 2 0 354.495 0.106 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000594738185 546818722 /nfs/dbraw/zinc/81/87/22/546818722.db2.gz IZYWSHMIQRPBEP-ROUUACIJSA-N 2 0 354.539 0.922 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000551024797 547121296 /nfs/dbraw/zinc/12/12/96/547121296.db2.gz XOCORFHKCUMYOU-JKSUJKDBSA-N 2 0 354.495 0.062 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000552934869 547240764 /nfs/dbraw/zinc/24/07/64/547240764.db2.gz QVOBWMPRGJICDL-BZUAXINKSA-N 2 0 354.495 0.155 10 0 FCAERP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCc1nccn1CC(F)(F)F ZINC000553459099 547280998 /nfs/dbraw/zinc/28/09/98/547280998.db2.gz HMSCKQSXJUXSCQ-UHFFFAOYSA-N 2 0 361.368 0.614 10 0 FCAERP CSC[C@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000924566808 664018821 /nfs/dbraw/zinc/01/88/21/664018821.db2.gz DNZFJOFWMYWJGK-OAHLLOKOSA-N 2 0 363.487 0.877 10 0 FCAERP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000925767514 664470251 /nfs/dbraw/zinc/47/02/51/664470251.db2.gz VILNIYKHDKYCKF-SOUVJXGZSA-N 2 0 359.536 0.984 10 0 FCAERP CN(C)Cc1csc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)n1 ZINC000927767159 664906632 /nfs/dbraw/zinc/90/66/32/664906632.db2.gz ANDQPUFPYRBUFL-LBPRGKRZSA-N 2 0 353.492 0.231 10 0 FCAERP CN1CC[NH+](CC2CCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)CC1 ZINC000896627384 665101355 /nfs/dbraw/zinc/10/13/55/665101355.db2.gz CUYLGNZZSBYMIB-GOSISDBHSA-N 2 0 350.507 0.193 10 0 FCAERP CN1CC[NH+](CCC(C)(C)NC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000897422545 665237693 /nfs/dbraw/zinc/23/76/93/665237693.db2.gz DGGMUVNJNVSFOZ-UHFFFAOYSA-N 2 0 352.523 0.630 10 0 FCAERP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000908029025 666178344 /nfs/dbraw/zinc/17/83/44/666178344.db2.gz QEBJLUXFWBJUNB-SFHVURJKSA-N 2 0 351.539 0.299 10 0 FCAERP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C1CCC([NH+]2CCOCC2)CC1 ZINC000908029971 666178540 /nfs/dbraw/zinc/17/85/40/666178540.db2.gz UTTGCWZPQPXSLA-DAWZGUTISA-N 2 0 350.507 0.384 10 0 FCAERP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000910932147 666293830 /nfs/dbraw/zinc/29/38/30/666293830.db2.gz WBKSJABODJPLJO-ROUUACIJSA-N 2 0 354.539 0.706 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000912386160 666436527 /nfs/dbraw/zinc/43/65/27/666436527.db2.gz BTEBLLYJGFMBKT-UHFFFAOYSA-N 2 0 354.539 0.877 10 0 FCAERP CON(CCCNC(=O)C12CC[NH+](CC1)C2)C(=O)C12CC[NH+](CC1)C2 ZINC000912534954 666451735 /nfs/dbraw/zinc/45/17/35/666451735.db2.gz ICEALRDBIAGVLP-UHFFFAOYSA-N 2 0 350.463 0.074 10 0 FCAERP CC(C)C[NH2+]C1(CO)CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000912584240 666458924 /nfs/dbraw/zinc/45/89/24/666458924.db2.gz LYIMRPVUSCSPBA-UHFFFAOYSA-N 2 0 353.507 0.696 10 0 FCAERP C/C(=C/C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)CN1CCOCC1 ZINC000913152456 666509135 /nfs/dbraw/zinc/50/91/35/666509135.db2.gz PCMZHFFJWPIUHC-ICFOKQHNSA-N 2 0 351.491 0.978 10 0 FCAERP CN1CCN(C(=O)CC2CCN(C(=S)NCCC[NH+](C)C)CC2)CC1 ZINC000731317384 666815890 /nfs/dbraw/zinc/81/58/90/666815890.db2.gz MLLXGIMWPVHAEI-UHFFFAOYSA-N 2 0 369.579 0.689 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000922872707 667689147 /nfs/dbraw/zinc/68/91/47/667689147.db2.gz NKEYUBZXHCINTL-CVEARBPZSA-N 2 0 353.511 0.175 10 0 FCAERP C[C@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000923376287 667829126 /nfs/dbraw/zinc/82/91/26/667829126.db2.gz KNVOZEWGEBVBMF-DZGCQCFKSA-N 2 0 353.488 0.966 10 0 FCAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC(=O)NC(=O)NCc1cccs1)CC2 ZINC000923455437 667837015 /nfs/dbraw/zinc/83/70/15/667837015.db2.gz UKMRMMXCVUPBMH-CYBMUJFWSA-N 2 0 366.487 0.904 10 0 FCAERP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923454469 667837696 /nfs/dbraw/zinc/83/76/96/667837696.db2.gz PSNXTPNWBRIHCQ-QWRGUYRKSA-N 2 0 366.384 0.593 10 0 FCAERP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923454466 667837891 /nfs/dbraw/zinc/83/78/91/667837891.db2.gz PSNXTPNWBRIHCQ-GHMZBOCLSA-N 2 0 366.384 0.593 10 0 FCAERP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000923490142 667840757 /nfs/dbraw/zinc/84/07/57/667840757.db2.gz SKAHFIUTALIHOP-AWEZNQCLSA-N 2 0 350.488 0.703 10 0 FCAERP C[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[C@H]1C[NH3+] ZINC000923498643 667841497 /nfs/dbraw/zinc/84/14/97/667841497.db2.gz IUFWBKLNRLWLCJ-CABCVRRESA-N 2 0 364.515 0.949 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787109744 668787973 /nfs/dbraw/zinc/78/79/73/668787973.db2.gz YCQDYFXATRJRSW-INIZCTEOSA-N 2 0 354.495 0.156 10 0 FCAERP CC(C)[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000819077010 668976303 /nfs/dbraw/zinc/97/63/03/668976303.db2.gz INWNUBSHUFJYFA-JKSUJKDBSA-N 2 0 358.527 0.734 10 0 FCAERP COC(=O)Nc1ccc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000819086292 668977364 /nfs/dbraw/zinc/97/73/64/668977364.db2.gz NHWQLPNPQKLYKJ-KRWDZBQOSA-N 2 0 350.463 0.605 10 0 FCAERP CC(C)(C)OC(=O)N1CCN(C(=O)CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000795865941 669066433 /nfs/dbraw/zinc/06/64/33/669066433.db2.gz GZXTVIFUZJYRFW-GJZGRUSLSA-N 2 0 352.479 0.607 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000840824395 670520568 /nfs/dbraw/zinc/52/05/68/670520568.db2.gz XJYIIRCLBDMRRA-HOTGVXAUSA-N 2 0 367.563 0.632 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000843067785 670772853 /nfs/dbraw/zinc/77/28/53/670772853.db2.gz IMBLHFAMFRNLID-CJNGLKHVSA-N 2 0 361.408 0.937 10 0 FCAERP CC(C)Oc1cccc([C@H](O)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000843079021 670773825 /nfs/dbraw/zinc/77/38/25/670773825.db2.gz AZCQEQPMXHOSCO-IEBWSBKVSA-N 2 0 351.491 0.705 10 0 FCAERP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000867392699 671032668 /nfs/dbraw/zinc/03/26/68/671032668.db2.gz ROGPUORVOGIJRN-IRXDYDNUSA-N 2 0 350.507 0.729 10 0 FCAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867406360 671089691 /nfs/dbraw/zinc/08/96/91/671089691.db2.gz KMWAOKYWQGQGAV-PVAVHDDUSA-N 2 0 350.507 0.728 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000846732075 671143443 /nfs/dbraw/zinc/14/34/43/671143443.db2.gz ATAPVVZOZZKJAH-CVEARBPZSA-N 2 0 354.495 0.060 10 0 FCAERP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000852749909 671523211 /nfs/dbraw/zinc/52/32/11/671523211.db2.gz RDDXQOXIHXVXEA-OAGGEKHMSA-N 2 0 352.479 0.607 10 0 FCAERP CNS(=O)(=O)c1ccc(N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000903482346 675932632 /nfs/dbraw/zinc/93/26/32/675932632.db2.gz DAYRKNMKIORTQE-CABCVRRESA-N 2 0 352.504 0.844 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)Nc1ccc(Cl)nc1)C2 ZINC000903492594 675933377 /nfs/dbraw/zinc/93/33/77/675933377.db2.gz GNLIPNZCYSMTMW-USBNGQNGSA-N 2 0 352.822 0.886 10 0 FCAERP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000861642578 671977146 /nfs/dbraw/zinc/97/71/46/671977146.db2.gz BLRNZDMISXPTCU-GBOPCIDUSA-N 2 0 351.451 0.223 10 0 FCAERP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000861642580 671977269 /nfs/dbraw/zinc/97/72/69/671977269.db2.gz BLRNZDMISXPTCU-OSRDXIQISA-N 2 0 351.451 0.223 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903719482 675963566 /nfs/dbraw/zinc/96/35/66/675963566.db2.gz MBGARLBSYNSUAD-UPJWGTAASA-N 2 0 364.412 0.667 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903724100 675964073 /nfs/dbraw/zinc/96/40/73/675964073.db2.gz LPVTZRWPJBGBSK-YNEHKIRRSA-N 2 0 364.412 0.525 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000861750294 671990466 /nfs/dbraw/zinc/99/04/66/671990466.db2.gz PPPZHKXNHSXNLM-HRCADAONSA-N 2 0 352.479 0.003 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C[C@H]1CC[NH3+] ZINC000903728032 675964491 /nfs/dbraw/zinc/96/44/91/675964491.db2.gz DYEACZVMMXOXHV-BRWVUGGUSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C[C@H]1CC[NH3+] ZINC000903734844 675965244 /nfs/dbraw/zinc/96/52/44/675965244.db2.gz CHXDBSAILDGAPP-BRWVUGGUSA-N 2 0 350.507 0.907 10 0 FCAERP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903749735 675967638 /nfs/dbraw/zinc/96/76/38/675967638.db2.gz ARAHVEURVPFELE-VXGBXAGGSA-N 2 0 362.396 0.421 10 0 FCAERP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000903785690 675973231 /nfs/dbraw/zinc/97/32/31/675973231.db2.gz LZZPKVXMCVVCBU-IRXDYDNUSA-N 2 0 350.507 0.777 10 0 FCAERP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903791889 675973844 /nfs/dbraw/zinc/97/38/44/675973844.db2.gz ARDUVAFQPIKCKD-OAHLLOKOSA-N 2 0 350.463 0.756 10 0 FCAERP COC(=O)CC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C1CCOCC1 ZINC000903899675 675981185 /nfs/dbraw/zinc/98/11/85/675981185.db2.gz WDPCLFZFDFNJCT-OAHLLOKOSA-N 2 0 352.479 0.890 10 0 FCAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cnn1C ZINC000903899479 675981245 /nfs/dbraw/zinc/98/12/45/675981245.db2.gz RYIXNXNHLBRHNO-AWEZNQCLSA-N 2 0 357.524 0.202 10 0 FCAERP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903933928 675983669 /nfs/dbraw/zinc/98/36/69/675983669.db2.gz BEAWXDYMPWZMMZ-LSDHHAIUSA-N 2 0 357.524 0.107 10 0 FCAERP C[NH+](C)CCOc1ccc(C[NH2+]CC[C@H]2CNCCS2(=O)=O)cc1 ZINC000903969552 675985102 /nfs/dbraw/zinc/98/51/02/675985102.db2.gz ZRFLPMYZPRSNHA-KRWDZBQOSA-N 2 0 355.504 0.493 10 0 FCAERP Cn1cc(CN2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(Br)n1 ZINC000866658814 672285741 /nfs/dbraw/zinc/28/57/41/672285741.db2.gz ANXAWGQNEGALCY-LBPRGKRZSA-N 2 0 370.295 0.826 10 0 FCAERP CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)C ZINC000866708493 672290242 /nfs/dbraw/zinc/29/02/42/672290242.db2.gz NXTKFEGVFXPBCT-JONQDZQNSA-N 2 0 352.479 0.887 10 0 FCAERP C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867491673 672325323 /nfs/dbraw/zinc/32/53/23/672325323.db2.gz SSRMZOLUFPTFKK-QKPAOTATSA-N 2 0 370.563 0.537 10 0 FCAERP Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867588966 672343068 /nfs/dbraw/zinc/34/30/68/672343068.db2.gz KUJRYFMBARLCIG-HUUCEWRRSA-N 2 0 357.524 0.397 10 0 FCAERP COc1ccc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000867590282 672343512 /nfs/dbraw/zinc/34/35/12/672343512.db2.gz NJSJMOIWOCQRCG-ZIAGYGMSSA-N 2 0 356.492 0.450 10 0 FCAERP COC(=O)N1CCC(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000870017133 672461331 /nfs/dbraw/zinc/46/13/31/672461331.db2.gz GRYAFNQCVPZYIY-HZPDHXFCSA-N 2 0 354.495 0.663 10 0 FCAERP CC(=O)N[C@H](CC1CCC1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019398 672461712 /nfs/dbraw/zinc/46/17/12/672461712.db2.gz WXTRTHUVZNPENN-KZNAEPCWSA-N 2 0 352.523 0.879 10 0 FCAERP Cn1nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1Br ZINC000870017482 672461737 /nfs/dbraw/zinc/46/17/37/672461737.db2.gz OYDOXXYODZXWCY-VXGBXAGGSA-N 2 0 372.311 0.994 10 0 FCAERP CN(C)[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cncn1C ZINC000870019219 672461760 /nfs/dbraw/zinc/46/17/60/672461760.db2.gz UTNKWZQZWVQCLO-INMHGKMJSA-N 2 0 350.511 0.221 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2S(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000870023951 672462430 /nfs/dbraw/zinc/46/24/30/672462430.db2.gz PNQPDFMXHFGPAR-HUUCEWRRSA-N 2 0 367.515 0.902 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C[C@H]1C[NH+](C)C ZINC000870024157 672462477 /nfs/dbraw/zinc/46/24/77/672462477.db2.gz VROFOPRFQDXPCV-ZXFNITATSA-N 2 0 368.547 0.638 10 0 FCAERP [NH3+]CC1(CC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCCC1 ZINC000870998537 672524996 /nfs/dbraw/zinc/52/49/96/672524996.db2.gz ZENQCKVZGNXEOW-ZNMIVQPWSA-N 2 0 350.463 0.679 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000871817607 672575149 /nfs/dbraw/zinc/57/51/49/672575149.db2.gz DNEMMKXCDRBQNT-QGZVFWFLSA-N 2 0 372.579 0.856 10 0 FCAERP [NH3+][C@H](C[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1)C1CCCC1 ZINC000871823217 672576394 /nfs/dbraw/zinc/57/63/94/672576394.db2.gz RCPRJLWYJPKJED-BHYGNILZSA-N 2 0 359.536 0.924 10 0 FCAERP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000872187115 672597160 /nfs/dbraw/zinc/59/71/60/672597160.db2.gz DBISXERXZDFONE-OLZOCXBDSA-N 2 0 364.412 0.525 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872188491 672597585 /nfs/dbraw/zinc/59/75/85/672597585.db2.gz WXGSALMONRCXNH-AVGNSLFASA-N 2 0 364.412 0.382 10 0 FCAERP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872189387 672598314 /nfs/dbraw/zinc/59/83/14/672598314.db2.gz GSAONQWFKUGPTK-OLZOCXBDSA-N 2 0 364.412 0.526 10 0 FCAERP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872192635 672601138 /nfs/dbraw/zinc/60/11/38/672601138.db2.gz YLCPNRQKIZVWOF-NEPJUHHUSA-N 2 0 352.401 0.382 10 0 FCAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872257477 672609361 /nfs/dbraw/zinc/60/93/61/672609361.db2.gz RRIOIHYPQWAISG-QLFBSQMISA-N 2 0 350.463 0.548 10 0 FCAERP CCn1nc(C)c(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000875679610 672903946 /nfs/dbraw/zinc/90/39/46/672903946.db2.gz BBBRPCLYCNJTKY-HUUCEWRRSA-N 2 0 351.499 0.487 10 0 FCAERP CO[C@]1(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCSC1 ZINC000925384861 673789993 /nfs/dbraw/zinc/78/99/93/673789993.db2.gz KJOUDBBFFWTOHO-INMHGKMJSA-N 2 0 358.552 0.889 10 0 FCAERP C[NH+](C)CCn1nccc1NC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926129393 673812414 /nfs/dbraw/zinc/81/24/14/673812414.db2.gz DGQNJYLCSMYHHI-CQSZACIVSA-N 2 0 350.467 0.806 10 0 FCAERP 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/nfs/dbraw/zinc/67/24/31/1208672431.db2.gz MMBGOKIBHVLQDX-ZACQAIPSSA-N 2 0 350.507 0.777 10 0 FCAERP CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)CC[NH+](C)C)C[C@H]32)CC1 ZINC001489668125 1209079981 /nfs/dbraw/zinc/07/99/81/1209079981.db2.gz HCOMUFJKZZUUMC-IAGOWNOFSA-N 2 0 350.507 0.729 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)CC[NH+](C)C ZINC001490105384 1209232253 /nfs/dbraw/zinc/23/22/53/1209232253.db2.gz VWKKJEKHGVBTLC-CVEARBPZSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001490320390 1209315535 /nfs/dbraw/zinc/31/55/35/1209315535.db2.gz URNXBSLVQXRHKO-HZPDHXFCSA-N 2 0 362.518 0.777 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)C1 ZINC001490365221 1209338541 /nfs/dbraw/zinc/33/85/41/1209338541.db2.gz BNDUYNQECAWXFK-BRWVUGGUSA-N 2 0 352.523 0.881 10 0 FCAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)C1 ZINC001490365223 1209338763 /nfs/dbraw/zinc/33/87/63/1209338763.db2.gz BNDUYNQECAWXFK-GVDBMIGSSA-N 2 0 352.523 0.881 10 0 FCAERP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C3=NO[C@H](C[NH3+])C3)c2)CC1 ZINC000852859183 1209568169 /nfs/dbraw/zinc/56/81/69/1209568169.db2.gz OFVZUKZRUGMJSJ-HNNXBMFYSA-N 2 0 359.430 0.426 10 0 FCAERP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3=NO[C@H](C[NH3+])C3)cc2)C1 ZINC000852863857 1209568536 /nfs/dbraw/zinc/56/85/36/1209568536.db2.gz JRKMAPKLRCOVJS-HIFRSBDPSA-N 2 0 359.430 0.426 10 0 FCAERP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C3=NO[C@H](C[NH3+])C3)cc2)CC1 ZINC000852864382 1209569496 /nfs/dbraw/zinc/56/94/96/1209569496.db2.gz UMAGNLGYFMWJNJ-INIZCTEOSA-N 2 0 373.457 0.469 10 0 FCAERP [NH3+]C[C@@H]1CC(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)=NO1 ZINC000852869726 1209570642 /nfs/dbraw/zinc/57/06/42/1209570642.db2.gz FKIXQNQYMSXRGW-INIZCTEOSA-N 2 0 364.421 0.889 10 0 FCAERP O=C1OC[C@@H]2C[N@H+](Cc3ccc(C[NH+]4C[C@@H]5COC(=O)[C@@H]5C4)cc3)C[C@H]12 ZINC000860161365 1209841506 /nfs/dbraw/zinc/84/15/06/1209841506.db2.gz XAVUPVQCAFUJGV-USTZCAOPSA-N 2 0 356.422 0.896 10 0 FCAERP O=C(NCCC1CC[NH2+]CC1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861647350 1209873102 /nfs/dbraw/zinc/87/31/02/1209873102.db2.gz AAGIXDPTZHEWLI-CVEARBPZSA-N 2 0 365.478 0.343 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000861741279 1209878660 /nfs/dbraw/zinc/87/86/60/1209878660.db2.gz ZQSRYMCMHKPNOM-UHFFFAOYSA-N 2 0 368.522 0.500 10 0 FCAERP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000863546374 1209944650 /nfs/dbraw/zinc/94/46/50/1209944650.db2.gz CEWLXXFNMKPINK-LZQZEXGQSA-N 3 0 374.485 0.995 10 0 FCAERP CC[C@@H]1[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000863576798 1209945481 /nfs/dbraw/zinc/94/54/81/1209945481.db2.gz SCXRRNGBYXVHRW-YESZJQIVSA-N 2 0 370.538 0.972 10 0 FCAERP NC(=O)COc1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000863642851 1209947002 /nfs/dbraw/zinc/94/70/02/1209947002.db2.gz YVKIOULAVNYUIX-SJORKVTESA-N 2 0 374.441 0.308 10 0 FCAERP CN(CCOC(C)(C)C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867545483 1210012080 /nfs/dbraw/zinc/01/20/80/1210012080.db2.gz MTTCIZXIIONFMI-HZPDHXFCSA-N 2 0 370.538 0.458 10 0 FCAERP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCCO1 ZINC000867544811 1210012230 /nfs/dbraw/zinc/01/22/30/1210012230.db2.gz VWIREMJRIVHRAW-ZACQAIPSSA-N 2 0 368.522 0.212 10 0 FCAERP CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867560187 1210013576 /nfs/dbraw/zinc/01/35/76/1210013576.db2.gz XMTRMAXTSFFWTQ-ZACQAIPSSA-N 2 0 370.538 0.050 10 0 FCAERP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000867742245 1210027750 /nfs/dbraw/zinc/02/77/50/1210027750.db2.gz FKURHNXATMGYDK-UHFFFAOYSA-N 2 0 367.538 0.025 10 0 FCAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868231375 1210044963 /nfs/dbraw/zinc/04/49/63/1210044963.db2.gz DTQZHHCKBFWMAA-XOKHGSTOSA-N 2 0 359.474 0.192 10 0 FCAERP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000868261846 1210047928 /nfs/dbraw/zinc/04/79/28/1210047928.db2.gz VDJPMLAZBLWSMU-INIZCTEOSA-N 2 0 360.458 0.232 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000868312027 1210051834 /nfs/dbraw/zinc/05/18/34/1210051834.db2.gz JDQKGFQETGKOHB-SFHVURJKSA-N 2 0 364.494 0.607 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868370201 1210055790 /nfs/dbraw/zinc/05/57/90/1210055790.db2.gz MGGISWXMHQKKMC-LJQANCHMSA-N 3 0 369.554 0.162 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C4CC[NH2+]CC4)C3)CC[C@H]21 ZINC000868411194 1210063493 /nfs/dbraw/zinc/06/34/93/1210063493.db2.gz UKZVBOVJLRPUDP-RCCFBDPRSA-N 2 0 362.518 0.777 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)CC[C@H]21 ZINC000868644917 1210070765 /nfs/dbraw/zinc/07/07/65/1210070765.db2.gz NHSCIUFJYHWWRK-IAGOWNOFSA-N 2 0 365.522 0.714 10 0 FCAERP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC000872186273 1210174778 /nfs/dbraw/zinc/17/47/78/1210174778.db2.gz JUZIIKZOXMJFJG-GHTZIAJQSA-N 2 0 370.497 0.789 10 0 FCAERP CN(CCCCCC[NH3+])C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000872185817 1210174967 /nfs/dbraw/zinc/17/49/67/1210174967.db2.gz DVTXXDRQZAUIAY-UHFFFAOYSA-N 2 0 368.522 0.535 10 0 FCAERP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000872190077 1210175928 /nfs/dbraw/zinc/17/59/28/1210175928.db2.gz RBPXDSVVPCNDEP-INIZCTEOSA-N 2 0 368.522 0.676 10 0 FCAERP C[C@H](CC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[C@@H]1CCC[NH2+]C1 ZINC000872264429 1210184497 /nfs/dbraw/zinc/18/44/97/1210184497.db2.gz QJTUSYTUFISMFX-SRABZTEZSA-N 2 0 364.490 0.796 10 0 FCAERP CCn1cccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1=O ZINC000875542722 1210378354 /nfs/dbraw/zinc/37/83/54/1210378354.db2.gz SGIVFXPHPSSOJB-IAGOWNOFSA-N 2 0 363.506 0.749 10 0 FCAERP COC[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CCOCC1 ZINC000875712471 1210388839 /nfs/dbraw/zinc/38/88/39/1210388839.db2.gz OFEPLWQDLQNDHL-KURKYZTESA-N 2 0 370.538 0.809 10 0 FCAERP Cc1cc(C[NH2+]CC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCOCC2)nn1C ZINC001273975097 1210611238 /nfs/dbraw/zinc/61/12/38/1210611238.db2.gz NNDJPRPTCKEQED-NVXWUHKLSA-N 2 0 363.506 0.824 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+][C@H](C)C(=O)N(C)C)CCOCC2)CC[N@@H+]1C ZINC001273975359 1210659211 /nfs/dbraw/zinc/65/92/11/1210659211.db2.gz QNGRRJFYNIZQGN-OWCLPIDISA-N 2 0 368.522 0.448 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+][C@@H](C)C(=O)N(C)C)CCOCC2)CC[N@@H+]1C ZINC001273975353 1210660310 /nfs/dbraw/zinc/66/03/10/1210660310.db2.gz QNGRRJFYNIZQGN-HRCADAONSA-N 2 0 368.522 0.448 10 0 FCAERP CCn1cc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nn1 ZINC001274521583 1211071931 /nfs/dbraw/zinc/07/19/31/1211071931.db2.gz WDQNOKBGINGQJK-GDBMZVCRSA-N 2 0 364.494 0.081 10 0 FCAERP C[C@H](C[NH2+]CCCN1C(=O)NC(C)(C)C1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274759394 1211117035 /nfs/dbraw/zinc/11/70/35/1211117035.db2.gz ACAHTWPLKFQBND-MGPQQGTHSA-N 2 0 367.494 0.141 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2(CO)CC[NH+](CCc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001274910487 1211143165 /nfs/dbraw/zinc/14/31/65/1211143165.db2.gz MIUPYSGFOFZJAQ-NVXWUHKLSA-N 2 0 363.506 0.246 10 0 FCAERP CNC(=O)[C@@H](C)[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001276164361 1211368874 /nfs/dbraw/zinc/36/88/74/1211368874.db2.gz IVFWAUXHRMLZHX-BFYDXBDKSA-N 2 0 368.522 0.448 10 0 FCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926308011 1211528784 /nfs/dbraw/zinc/52/87/84/1211528784.db2.gz LBXZVQTUGSBOFP-CVEARBPZSA-N 2 0 366.506 0.143 10 0 FCAERP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC000926332839 1211532822 /nfs/dbraw/zinc/53/28/22/1211532822.db2.gz HGZMCLGINOOBRN-IBGZPJMESA-N 2 0 366.506 0.300 10 0 FCAERP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@@]4(C3)CCCC[NH2+]4)C2)CC1 ZINC000926363085 1211539890 /nfs/dbraw/zinc/53/98/90/1211539890.db2.gz WIYHDONRWGJKRP-YLJYHZDGSA-N 2 0 362.518 0.921 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000926375852 1211541731 /nfs/dbraw/zinc/54/17/31/1211541731.db2.gz XEDZOFMZEJXLEZ-HZPDHXFCSA-N 2 0 366.506 0.332 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CCN1c1cc[nH+]cc1 ZINC000926392956 1211544824 /nfs/dbraw/zinc/54/48/24/1211544824.db2.gz BZIIHBVHLGWOSK-OAGGEKHMSA-N 2 0 359.474 0.562 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000926402428 1211546843 /nfs/dbraw/zinc/54/68/43/1211546843.db2.gz QUPXYCNWZNAPMT-UZLBHIALSA-N 2 0 371.485 0.863 10 0 FCAERP CCO[C@H](CNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C[NH+](C)C ZINC000926839473 1211556369 /nfs/dbraw/zinc/55/63/69/1211556369.db2.gz ZRSSBZHHOHBZJV-KSZLIROESA-N 2 0 369.554 0.621 10 0 FCAERP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000927828416 1211583673 /nfs/dbraw/zinc/58/36/73/1211583673.db2.gz NRQDMWNFNITCJG-HUUCEWRRSA-N 2 0 362.474 0.927 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)c2cc[nH]c2CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000928429508 1211601783 /nfs/dbraw/zinc/60/17/83/1211601783.db2.gz WVXGTBNXAJUGBV-XOUADPBQSA-N 2 0 361.490 0.588 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000929186364 1211621205 /nfs/dbraw/zinc/62/12/05/1211621205.db2.gz QQBARTRGEPLLFK-WAOWUJCRSA-N 2 0 372.513 0.686 10 0 FCAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000929402256 1211636194 /nfs/dbraw/zinc/63/61/94/1211636194.db2.gz GQASKKXGMZMOCX-DOTOQJQBSA-N 2 0 366.506 0.347 10 0 FCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929405214 1211636947 /nfs/dbraw/zinc/63/69/47/1211636947.db2.gz RHWGAGWVMDBOCN-BRWVUGGUSA-N 2 0 366.506 0.035 10 0 FCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929405215 1211637091 /nfs/dbraw/zinc/63/70/91/1211637091.db2.gz RHWGAGWVMDBOCN-IKGGRYGDSA-N 2 0 366.506 0.035 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000930491541 1211709692 /nfs/dbraw/zinc/70/96/92/1211709692.db2.gz RYPQGRKBQPRWMR-FHLIZLRMSA-N 2 0 373.501 0.790 10 0 FCAERP CN1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+](C)CC1 ZINC000931125574 1211740833 /nfs/dbraw/zinc/74/08/33/1211740833.db2.gz IAEUXZPNVMKFGM-UHFFFAOYSA-N 2 0 363.510 0.861 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)[C@@H](C)C1 ZINC000931610461 1211763469 /nfs/dbraw/zinc/76/34/69/1211763469.db2.gz DPXLVFSGSHFJPQ-YOEHRIQHSA-N 2 0 361.490 0.953 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000418849599 1213863406 /nfs/dbraw/zinc/86/34/06/1213863406.db2.gz DAIKRTRCFBKOOS-XLIONFOSSA-N 2 0 358.486 0.630 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H]1CCN(c3cc(C)nn3C)C1=O)C2 ZINC000903492940 1218427134 /nfs/dbraw/zinc/42/71/34/1218427134.db2.gz MEBDRDHUBIUQRI-AHXJXLJNSA-N 2 0 361.446 0.046 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000903492372 1218427151 /nfs/dbraw/zinc/42/71/51/1218427151.db2.gz OGSVKAIDQNQULB-IYOUNJFTSA-N 2 0 356.430 0.417 10 0 FCAERP CN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903719498 1218506255 /nfs/dbraw/zinc/50/62/55/1218506255.db2.gz MMLOFUVWJUKZEU-BBWFWOEESA-N 2 0 364.490 0.051 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CCCO1 ZINC000903737043 1218511098 /nfs/dbraw/zinc/51/10/98/1218511098.db2.gz IXZSYWCXQNFZNN-OIISXLGYSA-N 2 0 364.490 0.051 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000903750552 1218516066 /nfs/dbraw/zinc/51/60/66/1218516066.db2.gz NJEJFNMMJAUXGD-DLBZAZTESA-N 2 0 358.486 0.915 10 0 FCAERP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)N1CC[C@H](C2CC2)C1 ZINC000903754874 1218516301 /nfs/dbraw/zinc/51/63/01/1218516301.db2.gz TXOLVPLXRLBRIO-RYQLBKOJSA-N 2 0 360.502 0.672 10 0 FCAERP CC[NH+](CC)CC(=O)N1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903891054 1218560471 /nfs/dbraw/zinc/56/04/71/1218560471.db2.gz ITHKMYIWYIKIKA-KRWDZBQOSA-N 2 0 364.538 0.332 10 0 FCAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)cnn1C ZINC000903928176 1218567749 /nfs/dbraw/zinc/56/77/49/1218567749.db2.gz WYRWDQOBXUKJKI-RDJZCZTQSA-N 2 0 361.465 0.919 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2CC3(CC(NC(=O)CC[NH+](C)C)C3)C2)CC[N@@H+]1C ZINC001491058991 1220079709 /nfs/dbraw/zinc/07/97/09/1220079709.db2.gz RWCAQNWBKAEVFS-ITFIPKOWSA-N 2 0 350.507 0.822 10 0 FCAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1nnnn1CC(F)(F)F ZINC001491457519 1220140181 /nfs/dbraw/zinc/14/01/81/1220140181.db2.gz RDPAIKJOKRNMNW-HBNTYKKESA-N 2 0 363.388 0.170 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001117179672 1221490520 /nfs/dbraw/zinc/49/05/20/1221490520.db2.gz ATXGOJSRXJQXGB-ZWKOTPCHSA-N 2 0 371.485 0.625 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC1 ZINC001118035821 1221693287 /nfs/dbraw/zinc/69/32/87/1221693287.db2.gz VILNMBXJZOPKBM-IRXDYDNUSA-N 2 0 362.449 0.898 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC001118330787 1221761962 /nfs/dbraw/zinc/76/19/62/1221761962.db2.gz ZJPCFUYQRHHKJE-UHFFFAOYSA-N 2 0 359.474 0.407 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC001118842554 1221835531 /nfs/dbraw/zinc/83/55/31/1221835531.db2.gz LZZIVCISCUMKAY-UHFFFAOYSA-N 2 0 366.506 0.110 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CCN1c1cc[nH+]cc1 ZINC001119534228 1221929670 /nfs/dbraw/zinc/92/96/70/1221929670.db2.gz OBMSRNFHDJLNKQ-INIZCTEOSA-N 2 0 373.501 0.967 10 0 FCAERP C[NH+]1CCN(c2ccccc2CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC001119594315 1221938907 /nfs/dbraw/zinc/93/89/07/1221938907.db2.gz RAOJQKASRSIQFZ-FQEVSTJZSA-N 2 0 360.502 0.901 10 0 FCAERP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC001119640021 1221944330 /nfs/dbraw/zinc/94/43/30/1221944330.db2.gz IHSFQKWLOJASTQ-IBGZPJMESA-N 2 0 360.458 0.533 10 0 FCAERP C[NH+](C)CCOCCNC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001119766374 1221967732 /nfs/dbraw/zinc/96/77/32/1221967732.db2.gz TVKSLZHQMFUMMD-UHFFFAOYSA-N 2 0 368.522 0.594 10 0 FCAERP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1)[C@@H]1CCC[C@H]1O ZINC001138163072 1222487398 /nfs/dbraw/zinc/48/73/98/1222487398.db2.gz ALBSCVRBIUNOMR-IPMKNSEASA-N 2 0 361.486 0.715 10 0 FCAERP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586849 1223577987 /nfs/dbraw/zinc/57/79/87/1223577987.db2.gz QOFVUPOWZOMROG-DJIMGWMZSA-N 2 0 368.522 0.306 10 0 FCAERP C[NH+]1CCN(c2ccccc2NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000847105327 1245329906 /nfs/dbraw/zinc/32/99/06/1245329906.db2.gz VKNUJDPBRZXVSO-JKSUJKDBSA-N 2 0 359.474 0.721 10 0 FCAERP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848931733 1245386269 /nfs/dbraw/zinc/38/62/69/1245386269.db2.gz GXVGHTXUPCINRM-LUKYLMHMSA-N 2 0 368.522 0.591 10 0 FCAERP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccn(CC[NH+](C)C)n2)cn1 ZINC000849513233 1245398007 /nfs/dbraw/zinc/39/80/07/1245398007.db2.gz RAQKUCUFWWJNGZ-CVEARBPZSA-N 2 0 359.478 0.852 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849568019 1245401940 /nfs/dbraw/zinc/40/19/40/1245401940.db2.gz LRUATJWLIQPCEJ-LNLFQRSKSA-N 2 0 365.522 0.663 10 0 FCAERP CC(C)[N@@H+]1CC[C@@H](C(=O)NCCOCC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849578842 1245403148 /nfs/dbraw/zinc/40/31/48/1245403148.db2.gz XZGZYRCLFKVKCP-MSOLQXFVSA-N 2 0 365.522 0.928 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000897480603 1245472862 /nfs/dbraw/zinc/47/28/62/1245472862.db2.gz DKLOSGQUWJWCJD-JFIYKMOQSA-N 2 0 371.485 0.862 10 0 FCAERP COC(OC)[C@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000915541547 1245524041 /nfs/dbraw/zinc/52/40/41/1245524041.db2.gz FJWYMIXHYRUIMY-HNNXBMFYSA-N 2 0 365.478 0.900 10 0 FCAERP C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000919297521 1245602695 /nfs/dbraw/zinc/60/26/95/1245602695.db2.gz NDLFZYYKZSHSTM-IKGGRYGDSA-N 2 0 360.506 0.984 10 0 FCAERP O=C1[C@H]2C[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000923385410 1245715451 /nfs/dbraw/zinc/71/54/51/1245715451.db2.gz CCHURUPBBUGJCJ-YESZJQIVSA-N 2 0 355.438 0.482 10 0 FCAERP O=C(CN1CCNCC[NH2+]CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000923462250 1245719965 /nfs/dbraw/zinc/71/99/65/1245719965.db2.gz GPKAYXZRXNZPFO-UHFFFAOYSA-N 2 0 359.518 0.393 10 0 FCAERP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452464 1245720209 /nfs/dbraw/zinc/72/02/09/1245720209.db2.gz VBDTWAPJRFSXPS-HZPDHXFCSA-N 2 0 367.490 0.760 10 0 FCAERP C[C@H](NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)C(=O)N1CCCCC1 ZINC000923450310 1245720803 /nfs/dbraw/zinc/72/08/03/1245720803.db2.gz VBAXEMOAEAUAIM-HOTGVXAUSA-N 2 0 366.506 0.333 10 0 FCAERP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923504700 1245724927 /nfs/dbraw/zinc/72/49/27/1245724927.db2.gz SZTWLEDYIKBMLO-LSDHHAIUSA-N 2 0 362.474 0.975 10 0 FCAERP Cn1cnc(CCNC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1 ZINC001327812765 1265433058 /nfs/dbraw/zinc/43/30/58/1265433058.db2.gz OBMJRLVIZBMNMC-INIZCTEOSA-N 2 0 357.414 0.378 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCO1 ZINC001327941496 1265459635 /nfs/dbraw/zinc/45/96/35/1265459635.db2.gz STXLRMLPPDQNOZ-BXWFABGCSA-N 2 0 366.506 0.143 10 0 FCAERP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CCC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC001328424739 1265544841 /nfs/dbraw/zinc/54/48/41/1265544841.db2.gz HHEPDBYWVLLKQZ-MRXNPFEDSA-N 2 0 364.490 0.006 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[N@H+](C)C1CC1 ZINC001329076778 1265687245 /nfs/dbraw/zinc/68/72/45/1265687245.db2.gz MKLCBOUCCPNKGT-WMLDXEAASA-N 2 0 366.506 0.202 10 0 FCAERP CC[C@@H]1CN(C(=O)C(=O)N(C(C)=O)c2cccc3c2C[NH2+]CC3)CC[C@@H]1[NH3+] ZINC001329503798 1265770651 /nfs/dbraw/zinc/77/06/51/1265770651.db2.gz DZJDJCPPYZMZGH-PBHICJAKSA-N 2 0 372.469 0.798 10 0 FCAERP C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC001329510101 1265772712 /nfs/dbraw/zinc/77/27/12/1265772712.db2.gz SRNDFDZQHPKDJK-ZDUSSCGKSA-N 2 0 362.478 0.674 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001520309311 1265904035 /nfs/dbraw/zinc/90/40/35/1265904035.db2.gz YQMSUICODQIMLZ-ZACQAIPSSA-N 2 0 350.507 0.587 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)CCC[NH+](C)C ZINC001520730316 1265981578 /nfs/dbraw/zinc/98/15/78/1265981578.db2.gz TYTKOIFCBZTQTB-OIISXLGYSA-N 2 0 350.507 0.776 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1cccc2c1C[NH2+]CC2 ZINC001335710327 1259798387 /nfs/dbraw/zinc/79/83/87/1259798387.db2.gz BPRIDZMPBPYVAT-DOTOQJQBSA-N 2 0 370.453 0.422 10 0 FCAERP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001522012097 1266297692 /nfs/dbraw/zinc/29/76/92/1266297692.db2.gz FDWWJOCMTOGJMT-ZACQAIPSSA-N 2 0 362.518 0.777 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001257568886 1260021053 /nfs/dbraw/zinc/02/10/53/1260021053.db2.gz JTIPMLMPYVOEEQ-UHFFFAOYSA-N 3 0 367.538 0.071 10 0 FCAERP C[C@@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C[NH+]1CCN(C)CC1 ZINC001261657625 1260174397 /nfs/dbraw/zinc/17/43/97/1260174397.db2.gz HLIOXUHBRDBRBK-WMZOPIPTSA-N 2 0 367.538 0.111 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCc1ccnn1C ZINC001264524045 1260376504 /nfs/dbraw/zinc/37/65/04/1260376504.db2.gz IJDVOCQQWAWYJR-KBAYOESNSA-N 2 0 363.506 0.510 10 0 FCAERP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265540329 1260413933 /nfs/dbraw/zinc/41/39/33/1260413933.db2.gz NFMVNKQGGGMZAO-XPABHHOTSA-N 2 0 367.494 0.186 10 0 FCAERP Cc1cc(C)n(CC[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001278781911 1260731564 /nfs/dbraw/zinc/73/15/64/1260731564.db2.gz OZYJKRSMBQCMQE-LMMKCTJWSA-N 2 0 363.506 0.393 10 0 FCAERP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001280529463 1261066018 /nfs/dbraw/zinc/06/60/18/1261066018.db2.gz IAEJCMVHDMWQIR-ZMSDIMECSA-N 2 0 368.522 0.401 10 0 FCAERP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1)C(=O)NC1CC1 ZINC001281238437 1261095900 /nfs/dbraw/zinc/09/59/00/1261095900.db2.gz CUWDLMVXVPEZJQ-SQWLQELKSA-N 2 0 366.506 0.249 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001281680068 1261145703 /nfs/dbraw/zinc/14/57/03/1261145703.db2.gz ZRCLQRQIRAQANL-JFIYKMOQSA-N 2 0 368.522 0.137 10 0 FCAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001281797843 1261200890 /nfs/dbraw/zinc/20/08/90/1261200890.db2.gz ITJGHXLGHOXUQH-IXDOHACOSA-N 2 0 368.522 0.260 10 0 FCAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001281849820 1261233376 /nfs/dbraw/zinc/23/33/76/1261233376.db2.gz ROCMNKJUPBMIFA-IXDOHACOSA-N 2 0 368.522 0.545 10 0 FCAERP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001281898131 1261266754 /nfs/dbraw/zinc/26/67/54/1261266754.db2.gz BQJIALXGEALYHW-OAGGEKHMSA-N 2 0 368.522 0.279 10 0 FCAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001281899848 1261268644 /nfs/dbraw/zinc/26/86/44/1261268644.db2.gz YYNHDPCQSJKHLG-ZACQAIPSSA-N 2 0 368.522 0.281 10 0 FCAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1OCC ZINC001282179924 1261371866 /nfs/dbraw/zinc/37/18/66/1261371866.db2.gz TTWXJSVKZZRIGO-GVDBMIGSSA-N 2 0 368.522 0.260 10 0 FCAERP 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369.554 0.406 10 0 FCAERP OCC[C@@H]1CSCC[NH+]1CCOCC[N@H+]1CCSC[C@@H]1CCO ZINC000489324026 489705953 /nfs/dbraw/zinc/70/59/53/489705953.db2.gz FUEHFOZTAKMFDT-IYBDPMFKSA-N 2 0 364.577 0.603 10 0 FCAERP COC(=O)CC1([NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCC1 ZINC000459398473 489730178 /nfs/dbraw/zinc/73/01/78/489730178.db2.gz KPFYZWQVYMYSQY-OAHLLOKOSA-N 2 0 355.479 0.535 10 0 FCAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418827853 489741957 /nfs/dbraw/zinc/74/19/57/489741957.db2.gz HJSKJCZVYREDOV-HOTGVXAUSA-N 2 0 366.506 0.252 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000418852525 489757300 /nfs/dbraw/zinc/75/73/00/489757300.db2.gz QWMZYXRERDRAGX-KSZLIROESA-N 2 0 358.486 0.628 10 0 FCAERP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)CCCO1 ZINC000418884520 489774577 /nfs/dbraw/zinc/77/45/77/489774577.db2.gz WUOLPJLBSQASMB-MRXNPFEDSA-N 2 0 368.522 0.771 10 0 FCAERP C[C@@H]1C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490987840 489791655 /nfs/dbraw/zinc/79/16/55/489791655.db2.gz NITDQDVEIJCFCL-KZNAEPCWSA-N 2 0 372.579 0.616 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418928255 489793932 /nfs/dbraw/zinc/79/39/32/489793932.db2.gz UTRLYTPESLKUTJ-DLBZAZTESA-N 2 0 362.474 0.276 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1F ZINC000418963671 489805501 /nfs/dbraw/zinc/80/55/01/489805501.db2.gz MIMWJUMFLGIQBE-LJQANCHMSA-N 2 0 362.449 0.716 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000418972649 489807885 /nfs/dbraw/zinc/80/78/85/489807885.db2.gz ZJBIFXZRPOOSFQ-WBMJQRKESA-N 2 0 350.438 0.618 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)C1CC1 ZINC000419110540 489858761 /nfs/dbraw/zinc/85/87/61/489858761.db2.gz SHDJPCWDPRBCQP-SJORKVTESA-N 2 0 362.449 0.679 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433322402 489876195 /nfs/dbraw/zinc/87/61/95/489876195.db2.gz QKYHVKWNVIJKTD-IAGOWNOFSA-N 2 0 356.511 0.897 10 0 FCAERP C[C@@]1(CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000420126839 489922022 /nfs/dbraw/zinc/92/20/22/489922022.db2.gz SBINPFSWHXCWCU-LJQANCHMSA-N 2 0 350.507 0.827 10 0 FCAERP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000377768248 489955220 /nfs/dbraw/zinc/95/52/20/489955220.db2.gz IUGPEDBHRADBKC-ROUUACIJSA-N 2 0 367.538 0.519 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000477701387 489985677 /nfs/dbraw/zinc/98/56/77/489985677.db2.gz LAJUSKIKRZCFMC-RHSMWYFYSA-N 2 0 350.507 0.824 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000477734581 489988689 /nfs/dbraw/zinc/98/86/89/489988689.db2.gz UAJAXFNZAGVPBG-IRXDYDNUSA-N 2 0 365.522 0.807 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000556108344 491294975 /nfs/dbraw/zinc/29/49/75/491294975.db2.gz ONSLYFOPKVOLKO-HZPDHXFCSA-N 2 0 354.495 0.204 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000564321949 491301030 /nfs/dbraw/zinc/30/10/30/491301030.db2.gz XUOPYYORUBQPJN-RDJZCZTQSA-N 2 0 364.465 0.519 10 0 FCAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000571327341 491301166 /nfs/dbraw/zinc/30/11/66/491301166.db2.gz VMSOUYYXHVHWMM-WMZOPIPTSA-N 2 0 354.454 0.544 10 0 FCAERP C[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386657885 490130803 /nfs/dbraw/zinc/13/08/03/490130803.db2.gz UUMLRUJWAVHWCV-SZMVWBNQSA-N 2 0 367.515 0.805 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564337033 491301797 /nfs/dbraw/zinc/30/17/97/491301797.db2.gz KDBQUQURZXLMNM-IYBDPMFKSA-N 2 0 356.511 0.896 10 0 FCAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556202542 491302609 /nfs/dbraw/zinc/30/26/09/491302609.db2.gz OOKYMYIKVCNERM-DAYGRLMNSA-N 2 0 370.563 0.919 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000422097318 490149079 /nfs/dbraw/zinc/14/90/79/490149079.db2.gz IXPXSFNUPNWDLB-KRWDZBQOSA-N 2 0 350.507 0.873 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000398083581 490166554 /nfs/dbraw/zinc/16/65/54/490166554.db2.gz SPXHRHJYHUAZPD-NXHRZFHOSA-N 2 0 367.515 0.805 10 0 FCAERP C[C@H](NC(=O)C(=O)NC1CCN(c2ccccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000556253406 491306075 /nfs/dbraw/zinc/30/60/75/491306075.db2.gz PDWGWQHWLNPFCT-HNNXBMFYSA-N 2 0 371.485 0.933 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000422473497 490342536 /nfs/dbraw/zinc/34/25/36/490342536.db2.gz NWYRHATYEHAPPB-QGZVFWFLSA-N 2 0 373.457 0.520 10 0 FCAERP Cc1ccncc1N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000422495681 490358210 /nfs/dbraw/zinc/35/82/10/490358210.db2.gz SSCNENPBDOLOGM-KRWDZBQOSA-N 2 0 373.501 0.887 10 0 FCAERP O=C(CN1C[C@@H](O)C2(CC2)C1)NCc1ccccc1CN1CCOCC1 ZINC000548298522 490458021 /nfs/dbraw/zinc/45/80/21/490458021.db2.gz SMYWNOQAMKVICS-GOSISDBHSA-N 2 0 359.470 0.592 10 0 FCAERP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000535262219 490471673 /nfs/dbraw/zinc/47/16/73/490471673.db2.gz ROLHKDUNZLUJBS-UHFFFAOYSA-N 2 0 355.442 0.774 10 0 FCAERP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422956678 490506000 /nfs/dbraw/zinc/50/60/00/490506000.db2.gz QDXZBQRJPGVNFZ-QGZVFWFLSA-N 2 0 356.470 0.732 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423059108 490531598 /nfs/dbraw/zinc/53/15/98/490531598.db2.gz LEHKWMCISHUJRG-GOSISDBHSA-N 2 0 358.486 0.930 10 0 FCAERP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000571899771 491336677 /nfs/dbraw/zinc/33/66/77/491336677.db2.gz LSLXIZKKGRXUIS-UHFFFAOYSA-N 2 0 354.495 0.204 10 0 FCAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511967640 490644411 /nfs/dbraw/zinc/64/44/11/490644411.db2.gz OCWOWXBXBNEQRU-OTBWCIGPSA-N 2 0 350.507 0.918 10 0 FCAERP COCC[N@H+](C)CCN1C[C@@H](NC(=O)CC[C@H]2CCCC[NH+]2C)CC1=O ZINC000556928391 491343783 /nfs/dbraw/zinc/34/37/83/491343783.db2.gz AMHNKCCLXUSKLY-DLBZAZTESA-N 2 0 368.522 0.546 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487701185 490726315 /nfs/dbraw/zinc/72/63/15/490726315.db2.gz DMKXOHSNDZIVBB-MSOLQXFVSA-N 2 0 368.522 0.776 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(O)c(Br)c2)CC1 ZINC000572149565 491352130 /nfs/dbraw/zinc/35/21/30/491352130.db2.gz JYKNGEOBAQYCHA-CYBMUJFWSA-N 2 0 358.280 0.853 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(O)c(Br)c2)CC1 ZINC000572149566 491352239 /nfs/dbraw/zinc/35/22/39/491352239.db2.gz JYKNGEOBAQYCHA-ZDUSSCGKSA-N 2 0 358.280 0.853 10 0 FCAERP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000514600740 490774273 /nfs/dbraw/zinc/77/42/73/490774273.db2.gz XULAEEREJRJNBK-MRXNPFEDSA-N 2 0 365.474 0.771 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000557122788 491354552 /nfs/dbraw/zinc/35/45/52/491354552.db2.gz WFRDJGGQSMYAHG-DOTOQJQBSA-N 2 0 350.507 0.918 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)cn2)CC1 ZINC000529293662 490847899 /nfs/dbraw/zinc/84/78/99/490847899.db2.gz RFNBWXLHOWHXNQ-MRXNPFEDSA-N 2 0 362.478 0.011 10 0 FCAERP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000557255016 491363106 /nfs/dbraw/zinc/36/31/06/491363106.db2.gz ICKCZXMZVUCYQL-LJQANCHMSA-N 2 0 350.507 0.825 10 0 FCAERP CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000517370535 490906039 /nfs/dbraw/zinc/90/60/39/490906039.db2.gz HXYQRCWNXGXWNZ-HUUCEWRRSA-N 2 0 352.479 0.304 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000517567577 490912418 /nfs/dbraw/zinc/91/24/18/490912418.db2.gz MUBXORAAIKVAMY-XUWXXGDYSA-N 2 0 356.470 0.813 10 0 FCAERP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000557288746 491365428 /nfs/dbraw/zinc/36/54/28/491365428.db2.gz QGHLWQCMJYUJGZ-JOCBIADPSA-N 2 0 368.522 0.461 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000543967904 490953329 /nfs/dbraw/zinc/95/33/29/490953329.db2.gz ZKBRSNLWENCNNS-VNQPRFMTSA-N 2 0 374.489 0.693 10 0 FCAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000519727156 490986904 /nfs/dbraw/zinc/98/69/04/490986904.db2.gz DUSKZPODMAYLRB-AKBNIOSXSA-N 2 0 350.507 0.963 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000569586237 491170864 /nfs/dbraw/zinc/17/08/64/491170864.db2.gz SVQLDDRSTOSBIO-UHFFFAOYSA-N 2 0 354.495 0.156 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000565427977 491376018 /nfs/dbraw/zinc/37/60/18/491376018.db2.gz UBXPGKIEGMTBFK-MRXNPFEDSA-N 2 0 354.495 0.155 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000557495508 491378134 /nfs/dbraw/zinc/37/81/34/491378134.db2.gz XRRBVJXKKGARIP-ARFHVFGLSA-N 2 0 354.495 0.202 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)[C@H](C)C1 ZINC000660286452 493339649 /nfs/dbraw/zinc/33/96/49/493339649.db2.gz ZLSXERXHIXEZJC-CVEARBPZSA-N 2 0 368.522 0.090 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCNc2ncc(Cl)cc2Cl)CC1 ZINC000566105206 491417791 /nfs/dbraw/zinc/41/77/91/491417791.db2.gz DVAGBOXNSIDLIW-CYBMUJFWSA-N 2 0 362.305 0.998 10 0 FCAERP COc1cc(OC)cc(OCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000566116362 491418454 /nfs/dbraw/zinc/41/84/54/491418454.db2.gz OXXSZRNUMCVLPZ-HNNXBMFYSA-N 2 0 353.463 0.281 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000573238000 491422167 /nfs/dbraw/zinc/42/21/67/491422167.db2.gz JGKFDGFBUVMVBZ-MSOLQXFVSA-N 2 0 364.465 0.125 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000573340409 491427420 /nfs/dbraw/zinc/42/74/20/491427420.db2.gz WMBINKSEAIJVQD-IBGZPJMESA-N 2 0 365.522 0.762 10 0 FCAERP CCN1CC[NH+](CCCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000566298135 491433228 /nfs/dbraw/zinc/43/32/28/491433228.db2.gz QBLSUKZRLPMXRZ-INIZCTEOSA-N 2 0 363.510 0.350 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000566679387 491460054 /nfs/dbraw/zinc/46/00/54/491460054.db2.gz UCWRTBAOEXGHDM-WMZOPIPTSA-N 2 0 374.485 0.298 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000573919955 491463069 /nfs/dbraw/zinc/46/30/69/491463069.db2.gz BHTJJOSOTFTZIO-IYBDPMFKSA-N 2 0 369.535 0.682 10 0 FCAERP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566845860 491470382 /nfs/dbraw/zinc/47/03/82/491470382.db2.gz CSRZIJXLIPPRAV-BEFAXECRSA-N 2 0 350.507 0.825 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000660349160 493345743 /nfs/dbraw/zinc/34/57/43/493345743.db2.gz UTCFIZLPDDUELI-WBVHZDCISA-N 2 0 359.474 0.671 10 0 FCAERP O=C(NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2)N[C@@H]1CCC[NH2+]C1 ZINC000574297591 491487612 /nfs/dbraw/zinc/48/76/12/491487612.db2.gz PRGAUDRYTNUYMR-FGTMMUONSA-N 2 0 371.485 0.637 10 0 FCAERP CCCN(C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)[C@H]1CC[NH2+]C1 ZINC000574340659 491490256 /nfs/dbraw/zinc/49/02/56/491490256.db2.gz OCCOGDREGGMWMB-INIZCTEOSA-N 2 0 353.511 0.761 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000559750388 491495281 /nfs/dbraw/zinc/49/52/81/491495281.db2.gz ZFDXYOUTBXMMKQ-INIZCTEOSA-N 2 0 352.454 0.955 10 0 FCAERP C[C@@H]1CN(CCO)CCN1C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000567463739 491507493 /nfs/dbraw/zinc/50/74/93/491507493.db2.gz DQFQLHOKPODQFT-IXDOHACOSA-N 2 0 354.495 0.338 10 0 FCAERP CC(C)(CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C[NH+]1CCCC1 ZINC000574623804 491509283 /nfs/dbraw/zinc/50/92/83/491509283.db2.gz CVIAZZYTTCYEKQ-LJQANCHMSA-N 2 0 350.507 0.827 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000559964638 491512607 /nfs/dbraw/zinc/51/26/07/491512607.db2.gz FPHUTRZCXAGKFO-UHFFFAOYSA-N 2 0 370.563 0.874 10 0 FCAERP CC(C)[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)N1CC[NH+](C)CC1 ZINC000560056574 491518124 /nfs/dbraw/zinc/51/81/24/491518124.db2.gz WPRQWMKIAYOHMN-MIALQEHNSA-N 2 0 366.550 0.907 10 0 FCAERP CN(C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000560293135 491528858 /nfs/dbraw/zinc/52/88/58/491528858.db2.gz CXGBWJYLWNXVSY-PKOBYXMFSA-N 2 0 372.513 0.971 10 0 FCAERP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000673586705 493348902 /nfs/dbraw/zinc/34/89/02/493348902.db2.gz VGZRCZDSMONTDT-YESZJQIVSA-N 2 0 366.506 0.081 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](CO)Cc2ccncc2Cl)CC1 ZINC000567873534 491536270 /nfs/dbraw/zinc/53/62/70/491536270.db2.gz XZFODGXXPCMWTL-GDBMZVCRSA-N 2 0 356.898 0.084 10 0 FCAERP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCc4ccccc4[C@@H]3C[NH3+])C2)C1 ZINC000567876357 491536890 /nfs/dbraw/zinc/53/68/90/491536890.db2.gz RNBUYFJTVYBKER-FXAWDEMLSA-N 2 0 356.470 0.625 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000567875291 491536962 /nfs/dbraw/zinc/53/69/62/491536962.db2.gz AZHPHOFIKLWUNV-YJBOKZPZSA-N 2 0 358.486 0.871 10 0 FCAERP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000567986781 491545041 /nfs/dbraw/zinc/54/50/41/491545041.db2.gz DAULYRARTWFBPB-AZUAARDMSA-N 3 0 364.534 0.948 10 0 FCAERP Cc1ncc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C2CC2)n1 ZINC000560686577 491552487 /nfs/dbraw/zinc/55/24/87/491552487.db2.gz OLCKVSFBYORIQQ-UHFFFAOYSA-N 2 0 362.478 0.553 10 0 FCAERP CC[N@@H+]1CCCN(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)CC1 ZINC000568286976 491566943 /nfs/dbraw/zinc/56/69/43/491566943.db2.gz MICUGRBDVAEQKY-UHFFFAOYSA-N 2 0 353.511 0.714 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000568293543 491567568 /nfs/dbraw/zinc/56/75/68/491567568.db2.gz ABOHCQWPLDJABX-HNNXBMFYSA-N 2 0 351.495 0.513 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000561121505 491576341 /nfs/dbraw/zinc/57/63/41/491576341.db2.gz NUDIVPNOLPAVCH-ZACQAIPSSA-N 2 0 366.506 0.156 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cn1 ZINC000683431669 493352090 /nfs/dbraw/zinc/35/20/90/493352090.db2.gz VLXBMOAVRPVJFL-MRXNPFEDSA-N 2 0 362.478 0.516 10 0 FCAERP C[NH+]1CCC[C@H](NC(=O)c2cc(C(=O)N[C@H]3CCC[N@@H+](C)C3)ccn2)C1 ZINC000673661243 493354589 /nfs/dbraw/zinc/35/45/89/493354589.db2.gz GWZZNHULNACLBF-HOTGVXAUSA-N 2 0 359.474 0.730 10 0 FCAERP O=C(CN1CCC[C@@H]([NH+]2CCOCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000660473942 493354610 /nfs/dbraw/zinc/35/46/10/493354610.db2.gz WMKQWIMENPLDCP-GOSISDBHSA-N 2 0 364.534 0.916 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C2CC3CC(C2)CC1C3 ZINC000576450882 491615791 /nfs/dbraw/zinc/61/57/91/491615791.db2.gz UNGOOIYVPRAMDR-VQCIWKMKSA-N 2 0 374.529 0.999 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C2CC3CC(C2)CC1C3 ZINC000576450878 491615894 /nfs/dbraw/zinc/61/58/94/491615894.db2.gz UNGOOIYVPRAMDR-QEQVDOGFSA-N 2 0 374.529 0.999 10 0 FCAERP CN1CC[N@H+](CCCNC(=O)CCOC2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000576463825 491617003 /nfs/dbraw/zinc/61/70/03/491617003.db2.gz YLYDQNUDMQHLFB-IBGZPJMESA-N 2 0 360.502 0.860 10 0 FCAERP COc1ccc(CCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1OC ZINC000576628258 491631238 /nfs/dbraw/zinc/63/12/38/491631238.db2.gz SNAXOKXMHUHWMI-KRWDZBQOSA-N 2 0 351.491 0.834 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)CC1 ZINC000577621834 491636857 /nfs/dbraw/zinc/63/68/57/491636857.db2.gz HFJPWOLGHUFPAA-QGZVFWFLSA-N 2 0 363.502 0.933 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000576719027 491639265 /nfs/dbraw/zinc/63/92/65/491639265.db2.gz NCVPHSBREJHOPT-LJQANCHMSA-N 2 0 365.522 0.714 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(COC)CC[NH2+]C3)cn2)CC1 ZINC000569217193 491642845 /nfs/dbraw/zinc/64/28/45/491642845.db2.gz KUQIDLBZXGSMRH-IBGZPJMESA-N 2 0 361.490 0.466 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000578006787 491667683 /nfs/dbraw/zinc/66/76/83/491667683.db2.gz SMIUFSIKDWODGE-SJORKVTESA-N 2 0 366.893 0.643 10 0 FCAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000578251454 491673343 /nfs/dbraw/zinc/67/33/43/491673343.db2.gz AACROZAIDFPTQJ-HOTGVXAUSA-N 2 0 354.495 0.204 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579812102 491705680 /nfs/dbraw/zinc/70/56/80/491705680.db2.gz QNANVALMTQKENN-LPHOPBHVSA-N 2 0 365.522 0.714 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000579816800 491705727 /nfs/dbraw/zinc/70/57/27/491705727.db2.gz XJEIRXDRFIYZSO-GVDBMIGSSA-N 2 0 368.522 0.450 10 0 FCAERP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c(=O)n2C ZINC000584623054 491709016 /nfs/dbraw/zinc/70/90/16/491709016.db2.gz XLRNUKBYAFZHMF-LSDHHAIUSA-N 2 0 374.489 0.288 10 0 FCAERP O=C(N[C@H](CO)CN1CCOCC1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000580306597 491725063 /nfs/dbraw/zinc/72/50/63/491725063.db2.gz KMJMBMKLPYMFBC-MSOLQXFVSA-N 2 0 362.474 0.103 10 0 FCAERP Cc1noc(C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c2ccccc2)n1 ZINC000580687606 491741612 /nfs/dbraw/zinc/74/16/12/491741612.db2.gz FZBKCSBNNBTMAI-MSOLQXFVSA-N 2 0 359.474 0.860 10 0 FCAERP COc1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)ccc1OC(F)F ZINC000581246368 491765784 /nfs/dbraw/zinc/76/57/84/491765784.db2.gz RSPICGDKHODERS-AWEZNQCLSA-N 2 0 359.417 0.995 10 0 FCAERP C[C@@]1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000581715908 491783952 /nfs/dbraw/zinc/78/39/52/491783952.db2.gz IUISOZQORDYSLQ-FQEVSTJZSA-N 2 0 373.501 0.772 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000582068381 491796601 /nfs/dbraw/zinc/79/66/01/491796601.db2.gz JPARCVSMDGFRRL-MRXNPFEDSA-N 2 0 368.522 0.450 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000583395887 491844023 /nfs/dbraw/zinc/84/40/23/491844023.db2.gz RCYUYPBKOZWEKB-IAGOWNOFSA-N 2 0 350.507 0.968 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000583688485 491850087 /nfs/dbraw/zinc/85/00/87/491850087.db2.gz LOAXSXUXZGSRLZ-FQEVSTJZSA-N 2 0 362.518 0.217 10 0 FCAERP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000584000254 491856435 /nfs/dbraw/zinc/85/64/35/491856435.db2.gz VZUWBKNTUWEPKJ-UHFFFAOYSA-N 2 0 354.495 0.062 10 0 FCAERP COC(=O)CCN1CCC[C@@H]([N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000595391675 491927609 /nfs/dbraw/zinc/92/76/09/491927609.db2.gz MORJBAJCGFEYPA-QGZVFWFLSA-N 2 0 368.522 0.498 10 0 FCAERP CC[NH2+]CCCNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612911855 491958123 /nfs/dbraw/zinc/95/81/23/491958123.db2.gz QKIIWDAVHKDBRW-OAHLLOKOSA-N 2 0 363.510 0.708 10 0 FCAERP COC(=O)C1CC[NH+](CCCNC(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000595954560 491964737 /nfs/dbraw/zinc/96/47/37/491964737.db2.gz JKMYSKQQIWEZAP-UHFFFAOYSA-N 2 0 352.435 0.873 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000613981593 492007459 /nfs/dbraw/zinc/00/74/59/492007459.db2.gz HTHHUBCGMDJNBD-QBPKDAKJSA-N 2 0 350.507 0.824 10 0 FCAERP C[NH+]1CCC[C@H]1C(=O)NCC1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC000614860461 492060980 /nfs/dbraw/zinc/06/09/80/492060980.db2.gz HPAGPERHSYGQPY-HOTGVXAUSA-N 2 0 366.506 0.204 10 0 FCAERP C[NH+]1CCC[C@H](NC(=O)c2cncc(C(=O)N[C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000617415839 492166687 /nfs/dbraw/zinc/16/66/87/492166687.db2.gz RHLWXIZOZKYFCM-IRXDYDNUSA-N 2 0 359.474 0.730 10 0 FCAERP CCN(C(=O)COCC(=O)N(CC)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000617556749 492175632 /nfs/dbraw/zinc/17/56/32/492175632.db2.gz WUWHGHYGBHYXJL-IYBDPMFKSA-N 2 0 354.495 0.108 10 0 FCAERP 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O=C(CN1CCC[N@H+](C[C@H]2CCCO2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000620278174 492302018 /nfs/dbraw/zinc/30/20/18/492302018.db2.gz YMGWODVIYQMYNC-LJQANCHMSA-N 2 0 364.534 0.916 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000627456846 492302900 /nfs/dbraw/zinc/30/29/00/492302900.db2.gz ZMLBMRUPPKOBRQ-JKSUJKDBSA-N 2 0 366.506 0.347 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[NH2+]1 ZINC000627477299 492314889 /nfs/dbraw/zinc/31/48/89/492314889.db2.gz UPGRNMIGCLMMSE-HZPDHXFCSA-N 2 0 366.506 0.347 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627480122 492316055 /nfs/dbraw/zinc/31/60/55/492316055.db2.gz LEZQNRKGOFXBMN-NXHRZFHOSA-N 2 0 358.486 0.976 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)o1 ZINC000627483246 492318007 /nfs/dbraw/zinc/31/80/07/492318007.db2.gz AZGNYJOJWONITC-ZFWWWQNUSA-N 2 0 350.463 0.735 10 0 FCAERP 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C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H](C[NH3+])c3ccccc32)CC1 ZINC000634563699 492355492 /nfs/dbraw/zinc/35/54/92/492355492.db2.gz NAUBWEXQDSKTND-INIZCTEOSA-N 2 0 366.531 0.906 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000634724742 492364330 /nfs/dbraw/zinc/36/43/30/492364330.db2.gz WVRFLCXHENHLDE-GIVPXCGWSA-N 3 0 360.546 0.952 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)N2CC3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)CC3C2)C1 ZINC000655115964 492404936 /nfs/dbraw/zinc/40/49/36/492404936.db2.gz SRHLGFSZNOCAHA-MRLCAUJQSA-N 2 0 362.518 0.587 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000642983406 492411559 /nfs/dbraw/zinc/41/15/59/492411559.db2.gz KUZHIBBNNSGSNQ-KBAYOESNSA-N 2 0 358.486 0.834 10 0 FCAERP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc2)CC1 ZINC000655297997 492428567 /nfs/dbraw/zinc/42/85/67/492428567.db2.gz ZCXMSOIQFIMWNF-RBUKOAKNSA-N 2 0 358.486 0.720 10 0 FCAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)cn1 ZINC000622435952 492474469 /nfs/dbraw/zinc/47/44/69/492474469.db2.gz DFCWRCDZTNPOGD-GOSISDBHSA-N 2 0 362.474 0.707 10 0 FCAERP O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478940 492475618 /nfs/dbraw/zinc/47/56/18/492475618.db2.gz SPOWYECTEPMKAN-LJQANCHMSA-N 2 0 357.458 0.332 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C(=O)NCC[NH+](C)C ZINC000655919362 492488984 /nfs/dbraw/zinc/48/89/84/492488984.db2.gz ACXYCOQYPFLPDB-QWRGUYRKSA-N 2 0 355.405 0.268 10 0 FCAERP [NH3+]C[C@H](NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000655929244 492490456 /nfs/dbraw/zinc/49/04/56/492490456.db2.gz YSXWEKFMBDFBHL-KGLIPLIRSA-N 2 0 360.380 0.594 10 0 FCAERP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656072556 492533574 /nfs/dbraw/zinc/53/35/74/492533574.db2.gz QSSWIVLIIKFUKA-ZACQAIPSSA-N 2 0 368.522 0.545 10 0 FCAERP CC1(OCC(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C[NH2+]C1 ZINC000649328230 492535599 /nfs/dbraw/zinc/53/55/99/492535599.db2.gz GVCZGOCFGIJQQV-UHFFFAOYSA-N 2 0 374.485 0.507 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000656076363 492536989 /nfs/dbraw/zinc/53/69/89/492536989.db2.gz DDKRNHVGXQLYOC-YESZJQIVSA-N 2 0 350.507 0.920 10 0 FCAERP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000656105016 492552604 /nfs/dbraw/zinc/55/26/04/492552604.db2.gz XSHYMDGXSPUOQG-UHFFFAOYSA-N 2 0 368.522 0.546 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000649417622 492553434 /nfs/dbraw/zinc/55/34/34/492553434.db2.gz CTRRWJKTGKZAFG-RBUKOAKNSA-N 3 0 366.550 0.781 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000649418774 492553665 /nfs/dbraw/zinc/55/36/65/492553665.db2.gz DVMGRNXGPGECAH-OTWHNJEPSA-N 2 0 366.550 0.923 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656330036 492596717 /nfs/dbraw/zinc/59/67/17/492596717.db2.gz ZANLHNJZDHOYPF-WOVMCDHWSA-N 2 0 368.522 0.448 10 0 FCAERP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000656342771 492604461 /nfs/dbraw/zinc/60/44/61/492604461.db2.gz DVALRYLMYQTWBA-FPCVCCKLSA-N 2 0 354.495 0.058 10 0 FCAERP Nc1nc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)nc(N)[nH+]1 ZINC000624246307 492630185 /nfs/dbraw/zinc/63/01/85/492630185.db2.gz CSJPDGHCASHYGL-OAHLLOKOSA-N 2 0 369.473 0.459 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1=O ZINC000650556677 492649884 /nfs/dbraw/zinc/64/98/84/492649884.db2.gz TYIAJGXRDNSMFB-QGZVFWFLSA-N 2 0 361.490 0.705 10 0 FCAERP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)NCCCN1CCCC1=O ZINC000629590122 492657520 /nfs/dbraw/zinc/65/75/20/492657520.db2.gz MLKNCYFEKWZPKI-KRWDZBQOSA-N 2 0 366.506 0.206 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1=O ZINC000650641836 492657650 /nfs/dbraw/zinc/65/76/50/492657650.db2.gz LYIRTPRYLFBUAW-KRWDZBQOSA-N 2 0 367.538 0.912 10 0 FCAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650657062 492658300 /nfs/dbraw/zinc/65/83/00/492658300.db2.gz MQEKCIJWCMJGDY-QGZVFWFLSA-N 2 0 367.538 0.914 10 0 FCAERP C[C@H]1CCC[C@@](CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)([NH+](C)C)C1 ZINC000650725139 492663690 /nfs/dbraw/zinc/66/36/90/492663690.db2.gz UHTNVIZTRRRZLA-QFBILLFUSA-N 2 0 367.538 0.912 10 0 FCAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650736779 492664621 /nfs/dbraw/zinc/66/46/21/492664621.db2.gz YALLBZSEXAYHQB-IXDOHACOSA-N 2 0 367.538 0.768 10 0 FCAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650730202 492665045 /nfs/dbraw/zinc/66/50/45/492665045.db2.gz PORHSIMEEBGKLK-MRXNPFEDSA-N 2 0 367.538 0.912 10 0 FCAERP C[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+]1CCC(C)CC1 ZINC000650779514 492668177 /nfs/dbraw/zinc/66/81/77/492668177.db2.gz FXNKWQPTGVSKEJ-INIZCTEOSA-N 2 0 353.511 0.522 10 0 FCAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629793476 492674069 /nfs/dbraw/zinc/67/40/69/492674069.db2.gz HIHFWKHMTCFTEL-ZOCIIQOWSA-N 2 0 350.507 0.633 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000629805171 492681197 /nfs/dbraw/zinc/68/11/97/492681197.db2.gz OZVLURZZGBCIPO-HOTGVXAUSA-N 2 0 366.506 0.286 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000629808688 492682692 /nfs/dbraw/zinc/68/26/92/492682692.db2.gz IVZIHEVHWATRHK-HOTGVXAUSA-N 2 0 366.506 0.286 10 0 FCAERP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000629815817 492686265 /nfs/dbraw/zinc/68/62/65/492686265.db2.gz RFWCOPFKPBSTLO-CVEARBPZSA-N 2 0 354.495 0.012 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[C@@H]1C[NH3+] ZINC000629816787 492687183 /nfs/dbraw/zinc/68/71/83/492687183.db2.gz JLLOGZZGQATNPJ-CVEARBPZSA-N 2 0 366.506 0.143 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@]1(O)CCOC1 ZINC000651281577 492734562 /nfs/dbraw/zinc/73/45/62/492734562.db2.gz ZFWJOWLVBKNMHM-WMZOPIPTSA-N 2 0 356.511 0.585 10 0 FCAERP C[NH+](C)CCCN1C(=O)C[C@@H](N2CCC(C)([NH+]3CCOCC3)CC2)C1=O ZINC000630381100 492744385 /nfs/dbraw/zinc/74/43/85/492744385.db2.gz AJVSOOPQDKRCJW-MRXNPFEDSA-N 2 0 366.506 0.252 10 0 FCAERP CON1CCC(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000630866594 492779327 /nfs/dbraw/zinc/77/93/27/492779327.db2.gz OCEDXILQPYOSQQ-UHFFFAOYSA-N 2 0 361.490 0.983 10 0 FCAERP Cc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c(O[C@H]2CCOC2)c1 ZINC000644589967 492789387 /nfs/dbraw/zinc/78/93/87/492789387.db2.gz NMYQPUWUUKGSCI-OALUTQOASA-N 2 0 363.502 0.861 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000625552299 492818720 /nfs/dbraw/zinc/81/87/20/492818720.db2.gz NOVLHNVABDGHFW-RDJZCZTQSA-N 2 0 350.507 0.920 10 0 FCAERP CC[NH+](CC)Cc1ccc(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000631909598 492875722 /nfs/dbraw/zinc/87/57/22/492875722.db2.gz JEVFPVJSAMHJFG-KRWDZBQOSA-N 2 0 355.504 0.936 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000631910107 492876869 /nfs/dbraw/zinc/87/68/69/492876869.db2.gz XKRDSTQRLLCGHB-KGLIPLIRSA-N 2 0 359.517 0.793 10 0 FCAERP Cc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631912579 492878934 /nfs/dbraw/zinc/87/89/34/492878934.db2.gz PYJWOHBPUGRUTO-SFHVURJKSA-N 2 0 367.515 0.821 10 0 FCAERP C[C@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000645220131 492879846 /nfs/dbraw/zinc/87/98/46/492879846.db2.gz NBAAGHAFVFVSHE-BZUAXINKSA-N 2 0 353.511 0.868 10 0 FCAERP C[NH+](C)CCCOc1ccc(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000631917104 492883101 /nfs/dbraw/zinc/88/31/01/492883101.db2.gz GDLWYGAVVBJDLN-KRWDZBQOSA-N 2 0 371.503 0.425 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000645290762 492888738 /nfs/dbraw/zinc/88/87/38/492888738.db2.gz OMHXTLGZNCTXFR-CABCVRRESA-N 2 0 360.462 0.422 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000631961555 492898765 /nfs/dbraw/zinc/89/87/65/492898765.db2.gz UMOOFMGEZBXQNJ-HNNXBMFYSA-N 2 0 357.524 0.954 10 0 FCAERP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000658460586 492903444 /nfs/dbraw/zinc/90/34/44/492903444.db2.gz NZLMRNQQIZCGRN-DLBZAZTESA-N 2 0 368.522 0.498 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000658460587 492903723 /nfs/dbraw/zinc/90/37/23/492903723.db2.gz NZLMRNQQIZCGRN-IAGOWNOFSA-N 2 0 368.522 0.498 10 0 FCAERP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000658464966 492905489 /nfs/dbraw/zinc/90/54/89/492905489.db2.gz RCGSIQURGYFQCR-INIZCTEOSA-N 2 0 354.495 0.110 10 0 FCAERP CCN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@H+](CC)C1 ZINC000658467644 492906669 /nfs/dbraw/zinc/90/66/69/492906669.db2.gz GSBMFKNAYPFTES-CQSZACIVSA-N 2 0 350.467 0.326 10 0 FCAERP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347541 492913156 /nfs/dbraw/zinc/91/31/56/492913156.db2.gz DHUJKGZCGLPLAD-AESZEHBQSA-N 2 0 366.506 0.330 10 0 FCAERP [NH3+]C[C@]1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCCOC1 ZINC000638132466 492913928 /nfs/dbraw/zinc/91/39/28/492913928.db2.gz DQHZKGFBPSGISA-HXUWFJFHSA-N 2 0 360.502 0.676 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658522285 492925929 /nfs/dbraw/zinc/92/59/29/492925929.db2.gz NXPBSVCMFIQSSP-MRXNPFEDSA-N 2 0 354.495 0.110 10 0 FCAERP CN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000658542503 492939557 /nfs/dbraw/zinc/93/95/57/492939557.db2.gz VHWYDSISMCXJFV-IRXDYDNUSA-N 2 0 366.506 0.251 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000645621411 492944741 /nfs/dbraw/zinc/94/47/41/492944741.db2.gz UXVXLGOLJGJVKS-YOEHRIQHSA-N 2 0 360.458 0.728 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)CC1 ZINC000652670084 492983929 /nfs/dbraw/zinc/98/39/29/492983929.db2.gz GQDLHGJDBKCTLC-HZPDHXFCSA-N 2 0 354.495 0.047 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673526 492985040 /nfs/dbraw/zinc/98/50/40/492985040.db2.gz SNUPICHVQQPWBH-CAOSSQGBSA-N 2 0 354.495 0.045 10 0 FCAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000652675221 492985932 /nfs/dbraw/zinc/98/59/32/492985932.db2.gz QYGQNLGFNAFQFR-OAHLLOKOSA-N 2 0 354.495 0.204 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000652680353 492988329 /nfs/dbraw/zinc/98/83/29/492988329.db2.gz BEDOMRZPLPCTSH-RHSMWYFYSA-N 2 0 366.506 0.332 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H]1C[NH3+] ZINC000652692252 492992170 /nfs/dbraw/zinc/99/21/70/492992170.db2.gz NVIVNAIPNWPPJH-TZMCWYRMSA-N 2 0 354.495 0.234 10 0 FCAERP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cnn(CC[NH+](C)C)c3)CC2)CC1 ZINC000632463779 493002901 /nfs/dbraw/zinc/00/29/01/493002901.db2.gz WLLNHPYPKRLNLP-HDICACEKSA-N 2 0 362.522 0.733 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C[C@H]1C[NH3+] ZINC000652728419 493006447 /nfs/dbraw/zinc/00/64/47/493006447.db2.gz KNLMANWDBNWNNZ-BRWVUGGUSA-N 2 0 366.506 0.286 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000626848676 493035669 /nfs/dbraw/zinc/03/56/69/493035669.db2.gz GJBKPRUQRHVMJQ-MRXNPFEDSA-N 2 0 360.458 0.966 10 0 FCAERP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000658747158 493039671 /nfs/dbraw/zinc/03/96/71/493039671.db2.gz APTQOKPWSULXMD-KRWDZBQOSA-N 2 0 368.522 0.545 10 0 FCAERP CCN(C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000658804492 493061982 /nfs/dbraw/zinc/06/19/82/493061982.db2.gz WXSAPIZGXCWSAZ-SJORKVTESA-N 2 0 366.506 0.110 10 0 FCAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653037432 493062886 /nfs/dbraw/zinc/06/28/86/493062886.db2.gz BQCCRZABLKIKSQ-QGZVFWFLSA-N 2 0 354.495 0.012 10 0 FCAERP CCN(C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658807701 493064813 /nfs/dbraw/zinc/06/48/13/493064813.db2.gz QUWKXNIMJRAVML-HNNXBMFYSA-N 2 0 354.495 0.108 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cn2)CC1 ZINC000626928918 493065570 /nfs/dbraw/zinc/06/55/70/493065570.db2.gz LERZJZLGOAEMQD-BGYRXZFFSA-N 2 0 372.517 0.974 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626964120 493071214 /nfs/dbraw/zinc/07/12/14/493071214.db2.gz LVAQAKFOSIZYFH-ZYSHUDEJSA-N 2 0 365.522 0.570 10 0 FCAERP C[NH2+]CCOCCNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000626969901 493072101 /nfs/dbraw/zinc/07/21/01/493072101.db2.gz CDQSXUCHBUXFNW-UHFFFAOYSA-N 2 0 364.490 0.679 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2)[C@@H]1CC[N@H+](CC)C1 ZINC000658827918 493074526 /nfs/dbraw/zinc/07/45/26/493074526.db2.gz YISWSJDKGOITBC-APWZRJJASA-N 2 0 350.507 0.873 10 0 FCAERP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653155784 493079043 /nfs/dbraw/zinc/07/90/43/493079043.db2.gz GMXQNHTXVUQOEW-NSHGMRRFSA-N 2 0 359.470 0.630 10 0 FCAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627038085 493083896 /nfs/dbraw/zinc/08/38/96/493083896.db2.gz HKTRWGUEVUIYIZ-MRXNPFEDSA-N 2 0 368.526 0.459 10 0 FCAERP C[C@]1(CNC(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CCC[NH2+]C1 ZINC000627085828 493086487 /nfs/dbraw/zinc/08/64/87/493086487.db2.gz XDFQUNFLJBULAH-MJGOQNOKSA-N 2 0 361.490 0.971 10 0 FCAERP COC[C@@]1(CNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CCC[NH2+]1 ZINC000627092064 493087052 /nfs/dbraw/zinc/08/70/52/493087052.db2.gz KEVMHZPUMNNFPT-SFHVURJKSA-N 2 0 354.495 0.651 10 0 FCAERP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627127516 493092722 /nfs/dbraw/zinc/09/27/22/493092722.db2.gz FUTFKCGUIOSMBB-QZTJIDSGSA-N 2 0 358.486 0.989 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000627159619 493098120 /nfs/dbraw/zinc/09/81/20/493098120.db2.gz SOGUVUQWKMZMNQ-QKPAOTATSA-N 2 0 351.495 0.417 10 0 FCAERP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000627175531 493100759 /nfs/dbraw/zinc/10/07/59/493100759.db2.gz UBJGVMQXBDOVKX-ROUUACIJSA-N 2 0 364.490 0.405 10 0 FCAERP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[NH2+]1 ZINC000633005006 493101518 /nfs/dbraw/zinc/10/15/18/493101518.db2.gz JEDBMLMRZXMYAR-MRXNPFEDSA-N 2 0 362.478 0.545 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)cn2)CC1 ZINC000633002804 493101870 /nfs/dbraw/zinc/10/18/70/493101870.db2.gz LURTWCPGXWJNTD-CJNGLKHVSA-N 2 0 360.462 0.299 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](C)C3)c2)CC1 ZINC000633025742 493104421 /nfs/dbraw/zinc/10/44/21/493104421.db2.gz SJROYYMXPQENTP-HZPDHXFCSA-N 2 0 373.501 0.820 10 0 FCAERP Cc1ccncc1N1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633102092 493126154 /nfs/dbraw/zinc/12/61/54/493126154.db2.gz QMTLMHINCPUJCM-MRXNPFEDSA-N 2 0 359.474 0.769 10 0 FCAERP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000633103145 493127166 /nfs/dbraw/zinc/12/71/66/493127166.db2.gz NTUABBSDZPAASD-GJZGRUSLSA-N 2 0 352.479 0.038 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000633118161 493133388 /nfs/dbraw/zinc/13/33/88/493133388.db2.gz NPNHCINSPWGJIX-JYJNAYRXSA-N 2 0 350.507 0.905 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)[NH+](C)C)c1 ZINC000627291778 493135631 /nfs/dbraw/zinc/13/56/31/493135631.db2.gz DPRKKWDMSPKMCB-LXZKKBNFSA-N 2 0 362.474 0.671 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000627291793 493135797 /nfs/dbraw/zinc/13/57/97/493135797.db2.gz FMJBSEDQCCAIGJ-GVDBMIGSSA-N 2 0 362.474 0.671 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627293701 493137797 /nfs/dbraw/zinc/13/77/97/493137797.db2.gz ZUGMPRQHYVRVSJ-IAGOWNOFSA-N 2 0 358.486 0.676 10 0 FCAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659071093 493138513 /nfs/dbraw/zinc/13/85/13/493138513.db2.gz FMSQPYCKCYLXQR-RDTXWAMCSA-N 2 0 372.469 0.887 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C[NH2+]1 ZINC000627296987 493139088 /nfs/dbraw/zinc/13/90/88/493139088.db2.gz YYJLEEAYOWWZML-ZTFGCOKTSA-N 2 0 374.485 0.126 10 0 FCAERP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297079 493139711 /nfs/dbraw/zinc/13/97/11/493139711.db2.gz BCDMYEIUCBSERC-LSDHHAIUSA-N 2 0 366.506 0.380 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659074676 493140573 /nfs/dbraw/zinc/14/05/73/493140573.db2.gz SUZPIFUIWUAJGG-QGZVFWFLSA-N 2 0 360.458 0.840 10 0 FCAERP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)[C@H]1c1ccccc1 ZINC000627297607 493140589 /nfs/dbraw/zinc/14/05/89/493140589.db2.gz OFNVRHUKKUOEKF-HZPDHXFCSA-N 2 0 360.458 0.172 10 0 FCAERP CC[N@H+](CCNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CC1 ZINC000659078133 493141786 /nfs/dbraw/zinc/14/17/86/493141786.db2.gz GXVWOPBBZIPSOR-KRWDZBQOSA-N 2 0 360.458 0.887 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1C ZINC000659077941 493142309 /nfs/dbraw/zinc/14/23/09/493142309.db2.gz GBFXDOLQWDPWRJ-COXVUDFISA-N 2 0 360.458 0.885 10 0 FCAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659079865 493143076 /nfs/dbraw/zinc/14/30/76/493143076.db2.gz ONSKYYTWDDWCRF-WBVHZDCISA-N 2 0 358.442 0.639 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000627311707 493145474 /nfs/dbraw/zinc/14/54/74/493145474.db2.gz FSFNNQKLTIQJPQ-HUUCEWRRSA-N 2 0 356.511 0.211 10 0 FCAERP 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C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[NH2+]1 ZINC000627350604 493169160 /nfs/dbraw/zinc/16/91/60/493169160.db2.gz XMZMTZJRCNAKND-RHSMWYFYSA-N 2 0 359.474 0.419 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000627350608 493169656 /nfs/dbraw/zinc/16/96/56/493169656.db2.gz XQILYBRHNWZHKI-DLBZAZTESA-N 2 0 359.474 0.419 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1 ZINC000627357741 493173957 /nfs/dbraw/zinc/17/39/57/493173957.db2.gz OQICTJQXTCBIDY-HOTGVXAUSA-N 2 0 362.449 0.945 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000659427424 493174349 /nfs/dbraw/zinc/17/43/49/493174349.db2.gz NYGUAYMHGSEVBE-UHFFFAOYSA-N 2 0 357.502 0.937 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000627357210 493174682 /nfs/dbraw/zinc/17/46/82/493174682.db2.gz ABYGTMDNSMCSEE-ZWKOTPCHSA-N 2 0 358.486 0.808 10 0 FCAERP CC1CC[NH+](CCCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627363685 493178741 /nfs/dbraw/zinc/17/87/41/493178741.db2.gz UJDPVLKIOOSGIF-UHFFFAOYSA-N 2 0 354.495 0.239 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627366189 493181647 /nfs/dbraw/zinc/18/16/47/493181647.db2.gz KLZASGXLJUJKEV-GNSZPUGASA-N 2 0 350.507 0.681 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627366945 493181855 /nfs/dbraw/zinc/18/18/55/493181855.db2.gz GLIKZPJDPSCHGR-WBVHZDCISA-N 2 0 374.485 0.247 10 0 FCAERP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000659285080 493183496 /nfs/dbraw/zinc/18/34/96/493183496.db2.gz NUXSGNFEHQOHQQ-ZDUSSCGKSA-N 2 0 350.419 0.847 10 0 FCAERP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627385664 493193471 /nfs/dbraw/zinc/19/34/71/493193471.db2.gz RSMHJQNFFJBFRX-OAHLLOKOSA-N 2 0 364.490 0.148 10 0 FCAERP CN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659364734 493198420 /nfs/dbraw/zinc/19/84/20/493198420.db2.gz XUWIIIHRFJHHMK-KRWDZBQOSA-N 2 0 357.458 0.425 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000627412261 493207316 /nfs/dbraw/zinc/20/73/16/493207316.db2.gz GNBXSVGRZVZGGC-HOTGVXAUSA-N 2 0 366.506 0.333 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000627410903 493207481 /nfs/dbraw/zinc/20/74/81/493207481.db2.gz RMEBGIQADCAVQE-HNNXBMFYSA-N 2 0 354.495 0.189 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000627414228 493208171 /nfs/dbraw/zinc/20/81/71/493208171.db2.gz ICGPSRNJQMQLRI-GOSISDBHSA-N 2 0 366.506 0.206 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)ccc1F ZINC000672595354 493212855 /nfs/dbraw/zinc/21/28/55/493212855.db2.gz AUEUCKOCTDFPFT-OAHLLOKOSA-N 2 0 350.438 0.714 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C[NH2+]1 ZINC000627425831 493213519 /nfs/dbraw/zinc/21/35/19/493213519.db2.gz AOURFLPFGAQXDD-QAPCUYQASA-N 2 0 373.501 0.667 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000659619950 493221899 /nfs/dbraw/zinc/22/18/99/493221899.db2.gz WLMPMJVKUBIDJO-BZUAXINKSA-N 2 0 353.511 0.650 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000659679322 493247461 /nfs/dbraw/zinc/24/74/61/493247461.db2.gz HDKMXAVNOSIXKW-BRWVUGGUSA-N 2 0 368.522 0.360 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659680731 493248300 /nfs/dbraw/zinc/24/83/00/493248300.db2.gz JWZPKBVGTZLSMS-LXTVHRRPSA-N 2 0 356.486 0.757 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[C@H](C)C1 ZINC000659683381 493250845 /nfs/dbraw/zinc/25/08/45/493250845.db2.gz XJWQQCOQVWZIJH-XZZQLLPFSA-N 2 0 366.506 0.189 10 0 FCAERP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659686527 493252520 /nfs/dbraw/zinc/25/25/20/493252520.db2.gz DWIQRCKRKPBTKB-OHTSDLOESA-N 2 0 356.470 0.635 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000659693771 493257118 /nfs/dbraw/zinc/25/71/18/493257118.db2.gz ADUIDCWMWYEIQA-UHFFFAOYSA-N 2 0 357.458 0.112 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C[N@@H+]1C1CC1 ZINC000659694226 493257753 /nfs/dbraw/zinc/25/77/53/493257753.db2.gz SALPAKLWYARKRI-HYVNUMGLSA-N 2 0 362.518 0.966 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659701248 493261668 /nfs/dbraw/zinc/26/16/68/493261668.db2.gz ZPTWTYCRMKBKDS-DSRNLFJRSA-N 2 0 356.470 0.491 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)[N@H+](C)C1CC1 ZINC000659702286 493262781 /nfs/dbraw/zinc/26/27/81/493262781.db2.gz ODFDDSBZEPPKNN-HOCLYGCPSA-N 2 0 350.507 0.824 10 0 FCAERP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000659703635 493263307 /nfs/dbraw/zinc/26/33/07/493263307.db2.gz CGQGVTHUXFDFCW-QFWMXSHPSA-N 2 0 364.412 0.632 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[C@H]1F ZINC000659705183 493264763 /nfs/dbraw/zinc/26/47/63/493264763.db2.gz SIFBVCIDKAYVJR-HZPDHXFCSA-N 2 0 363.437 0.312 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000659707660 493265240 /nfs/dbraw/zinc/26/52/40/493265240.db2.gz WZRROEGTRQSPBK-UHFFFAOYSA-N 2 0 356.470 0.635 10 0 FCAERP CC(C)[NH2+]CCCNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659713513 493267682 /nfs/dbraw/zinc/26/76/82/493267682.db2.gz QSWFPUKUPNUTPR-UHFFFAOYSA-N 2 0 368.522 0.498 10 0 FCAERP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C(=O)NC1C[NH2+]C1 ZINC000659713062 493268102 /nfs/dbraw/zinc/26/81/02/493268102.db2.gz AONHQYHCRBPUNL-MRXNPFEDSA-N 2 0 356.470 0.493 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659725081 493273346 /nfs/dbraw/zinc/27/33/46/493273346.db2.gz ZOLNOXUUALWZQF-CRAIPNDOSA-N 2 0 373.501 0.524 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000659725974 493273507 /nfs/dbraw/zinc/27/35/07/493273507.db2.gz FVMUDTFVPPBNED-SUJAAXHWSA-N 2 0 354.495 0.186 10 0 FCAERP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659725585 493273700 /nfs/dbraw/zinc/27/37/00/493273700.db2.gz YBOGBCXFOXIPDI-CQSZACIVSA-N 2 0 354.495 0.108 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659729922 493276990 /nfs/dbraw/zinc/27/69/90/493276990.db2.gz QHUYFCTXWKHGAE-UHFFFAOYSA-N 2 0 371.485 0.360 10 0 FCAERP CN(C(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000659742108 493281628 /nfs/dbraw/zinc/28/16/28/493281628.db2.gz QIEPICOUYWWMIH-IDYZSHNDSA-N 2 0 370.497 0.978 10 0 FCAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742590 493282028 /nfs/dbraw/zinc/28/20/28/493282028.db2.gz AOLDVFOKWKBMEM-UHFFFAOYSA-N 2 0 362.449 0.584 10 0 FCAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659743228 493282168 /nfs/dbraw/zinc/28/21/68/493282168.db2.gz 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/nfs/dbraw/zinc/49/11/41/493491141.db2.gz KCCGFULUYJXLPS-SFHVURJKSA-N 2 0 373.501 0.676 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000662152861 493493057 /nfs/dbraw/zinc/49/30/57/493493057.db2.gz IHCGSWHBSMHDJM-WOJBJXKFSA-N 2 0 374.529 0.937 10 0 FCAERP c1ccc(N2CC[NH+](C[C@H]3CCCN(C[C@@H]4C[NH2+]CCO4)C3)CC2)nc1 ZINC000662264643 493502022 /nfs/dbraw/zinc/50/20/22/493502022.db2.gz RYQAOASYXQLWSJ-MOPGFXCFSA-N 2 0 359.518 0.904 10 0 FCAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000676097532 493524708 /nfs/dbraw/zinc/52/47/08/493524708.db2.gz RMMAPPQLCVWCRH-MRXNPFEDSA-N 2 0 352.398 0.679 10 0 FCAERP O=C(N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1([NH2+]C2CC2)CCC1 ZINC000662816120 493544443 /nfs/dbraw/zinc/54/44/43/493544443.db2.gz MTCNLSKZCZXOAA-HZPDHXFCSA-N 2 0 361.490 0.408 10 0 FCAERP [NH3+]C1(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC2(CCC2)C1 ZINC000662815081 493544483 /nfs/dbraw/zinc/54/44/83/493544483.db2.gz 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ZINC000925868934 673805358 /nfs/dbraw/zinc/80/53/58/673805358.db2.gz AUBLHYMYXDZILW-HIFRSBDPSA-N 2 0 356.492 0.471 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC[C@H]1C[NH3+] ZINC000926324491 673822572 /nfs/dbraw/zinc/82/25/72/673822572.db2.gz CCVVQUBSDADCAK-IXDOHACOSA-N 2 0 350.507 0.907 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926334862 673824058 /nfs/dbraw/zinc/82/40/58/673824058.db2.gz VNSPIUMCIDTRLA-CVEARBPZSA-N 2 0 356.511 0.247 10 0 FCAERP CCO[C@H](CNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1)C[NH+](C)C ZINC000926847568 673845246 /nfs/dbraw/zinc/84/52/46/673845246.db2.gz XNSOFAYLCAPPOH-MRXNPFEDSA-N 2 0 357.543 0.668 10 0 FCAERP CCO[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)C[NH+](C)C ZINC000926847942 673845589 /nfs/dbraw/zinc/84/55/89/673845589.db2.gz PDRVSRMJIGYPBP-IRXDYDNUSA-N 2 0 356.511 0.849 10 0 FCAERP CCO[C@H](CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)C[NH+](C)C ZINC000926849181 673845843 /nfs/dbraw/zinc/84/58/43/673845843.db2.gz 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CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000929866916 673981367 /nfs/dbraw/zinc/98/13/67/673981367.db2.gz JHWRSCYXJANXJK-LSDHHAIUSA-N 2 0 356.536 0.531 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000929947907 673987039 /nfs/dbraw/zinc/98/70/39/673987039.db2.gz JMNZLKKDPTYXGW-OAHLLOKOSA-N 2 0 356.511 0.260 10 0 FCAERP C[C@@H](O)[C@@H]1CCC[NH+]([C@@H](C)CNC(=O)C[N@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000930059490 673995685 /nfs/dbraw/zinc/99/56/85/673995685.db2.gz DKKYYUCAEGQIFQ-QXDIGNSFSA-N 2 0 355.523 0.677 10 0 FCAERP C[C@@H](O)C[C@H]1CCC[NH+]1[C@@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000930082306 673996782 /nfs/dbraw/zinc/99/67/82/673996782.db2.gz WOJGZWQXIBDJHK-IECFSIQFSA-N 2 0 355.523 0.962 10 0 FCAERP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000901134764 675762419 /nfs/dbraw/zinc/76/24/19/675762419.db2.gz NMBQKLAFWRMVHD-SFHVURJKSA-N 2 0 354.539 0.756 10 0 FCAERP CC[NH+]1CCC(NC(=O)CONC(=[NH2+])[C@H]2CN(C(C)C)CCO2)CC1 ZINC000902323300 675846454 /nfs/dbraw/zinc/84/64/54/675846454.db2.gz CDPUTAVZHQEAHZ-OAHLLOKOSA-N 2 0 355.483 0.195 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000897483364 1192181924 /nfs/dbraw/zinc/18/19/24/1192181924.db2.gz AQRYYLPTXZMQIU-HOTGVXAUSA-N 2 0 371.485 0.719 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001719580279 1168431615 /nfs/dbraw/zinc/43/16/15/1168431615.db2.gz BABGAOJDPMIFRZ-SJORKVTESA-N 2 0 352.523 0.975 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001482924892 1192434155 /nfs/dbraw/zinc/43/41/55/1192434155.db2.gz LBDWOSYLDOUOSD-JKSUJKDBSA-N 2 0 354.495 0.014 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)COCC(C)C)C[C@H]32)CC[N@@H+]1C ZINC001266901149 1170882199 /nfs/dbraw/zinc/88/21/99/1170882199.db2.gz ZGVVEKBJJDLLDR-QWFUGVESSA-N 2 0 367.534 0.797 10 0 FCAERP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@]2(C)C1 ZINC000933744650 1170886753 /nfs/dbraw/zinc/88/67/53/1170886753.db2.gz NRTGZONESRVKPZ-APWZRJJASA-N 2 0 358.490 0.399 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001483009185 1192700263 /nfs/dbraw/zinc/70/02/63/1192700263.db2.gz RVCDTMDZUQPNCR-OEFFGFFESA-N 2 0 364.412 0.657 10 0 FCAERP CCN1CC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000897919671 1192851127 /nfs/dbraw/zinc/85/11/27/1192851127.db2.gz POIHCZAGOXSPMA-MSOLQXFVSA-N 2 0 374.485 0.080 10 0 FCAERP CCN1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000897939562 1192852087 /nfs/dbraw/zinc/85/20/87/1192852087.db2.gz MUGNUAUVCCJKEZ-ZACQAIPSSA-N 2 0 366.506 0.081 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000898030051 1192855312 /nfs/dbraw/zinc/85/53/12/1192855312.db2.gz LSNPRZCPGCGYMU-HOTGVXAUSA-N 2 0 371.485 0.885 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC(N(CCO)C(=O)CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001719657173 1179107746 /nfs/dbraw/zinc/10/77/46/1179107746.db2.gz WOJNXEWBPVDHAG-NVXWUHKLSA-N 2 0 368.522 0.090 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]Cc2nnnn2C)CC[N@@H+]1C ZINC001268155825 1186552417 /nfs/dbraw/zinc/55/24/17/1186552417.db2.gz KDXWDLYZSCGHPU-OWCLPIDISA-N 2 0 363.510 0.801 10 0 FCAERP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268481188 1187548935 /nfs/dbraw/zinc/54/89/35/1187548935.db2.gz WWKNOKMVYMDLHA-MSOLQXFVSA-N 2 0 360.502 0.858 10 0 FCAERP C[C@@H](C[NH2+]CCn1cnc2ccccc2c1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268686619 1187760350 /nfs/dbraw/zinc/76/03/50/1187760350.db2.gz JKBGCHUDLUIBMY-ARFHVFGLSA-N 2 0 371.485 0.831 10 0 FCAERP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001269065068 1187810959 /nfs/dbraw/zinc/81/09/59/1187810959.db2.gz GVKWDDAZJSRKNF-MANSERQUSA-N 2 0 361.486 0.530 10 0 FCAERP C[C@H](C[NH2+]CC(=O)Nc1nccs1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482283859 1188126165 /nfs/dbraw/zinc/12/61/65/1188126165.db2.gz QPDBOPONFRJHTI-JHJVBQTASA-N 2 0 353.492 0.858 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896042879 1189924773 /nfs/dbraw/zinc/92/47/73/1189924773.db2.gz LQMUQEORCGKUSY-LJQANCHMSA-N 3 0 366.550 0.972 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH2+]Cc3nccn3C)CC2)CC[N@@H+]1C ZINC001271912138 1190758070 /nfs/dbraw/zinc/75/80/70/1190758070.db2.gz NNKWOFHFPGOSGU-NVXWUHKLSA-N 2 0 362.522 0.431 10 0 FCAERP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897355727 1190783169 /nfs/dbraw/zinc/78/31/69/1190783169.db2.gz CJCMRSAEEFCAIT-RBUKOAKNSA-N 2 0 359.470 0.590 10 0 FCAERP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897458466 1191196959 /nfs/dbraw/zinc/19/69/59/1191196959.db2.gz BOAMMXLKQXORPL-TZIWHRDSSA-N 2 0 373.497 0.803 10 0 FCAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000550785385 1193792734 /nfs/dbraw/zinc/79/27/34/1193792734.db2.gz NADXFIGVVKEWOG-KRWDZBQOSA-N 2 0 368.522 0.452 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000551094426 1193832787 /nfs/dbraw/zinc/83/27/87/1193832787.db2.gz YEFFDASCNZWVDO-UHFFFAOYSA-N 2 0 360.502 0.961 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000552941246 1193960458 /nfs/dbraw/zinc/96/04/58/1193960458.db2.gz ZSQDQGKJUAYLLQ-NPYXIHBLSA-N 2 0 366.506 0.345 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000553261162 1193981780 /nfs/dbraw/zinc/98/17/80/1193981780.db2.gz PTKUUOBDGQHYOF-MRXNPFEDSA-N 2 0 368.522 0.594 10 0 FCAERP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000553733968 1194017367 /nfs/dbraw/zinc/01/73/67/1194017367.db2.gz UDJYATCXHCDAHF-KRWDZBQOSA-N 2 0 366.506 0.158 10 0 FCAERP C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)C1 ZINC000907835252 1195714299 /nfs/dbraw/zinc/71/42/99/1195714299.db2.gz FSBHKNSGIUOOGC-IBGZPJMESA-N 2 0 360.458 0.315 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)[C@@H]3CCC[C@H]3C(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000908350040 1195740300 /nfs/dbraw/zinc/74/03/00/1195740300.db2.gz UNMGBGPIQKHYET-VUQDICHWSA-N 2 0 374.529 0.728 10 0 FCAERP CC[NH+]1CCC(N2CCCN(C(=O)C[C@@]3(O)CCC[N@H+](C)C3)CC2)CC1 ZINC000911190530 1195906962 /nfs/dbraw/zinc/90/69/62/1195906962.db2.gz KCTJANUFJKAODS-FQEVSTJZSA-N 2 0 366.550 0.852 10 0 FCAERP CC(C)[NH+]1CCN(CCCC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000911874336 1196317789 /nfs/dbraw/zinc/31/77/89/1196317789.db2.gz YEHSHHPLOGTSIZ-UHFFFAOYSA-N 2 0 367.538 0.025 10 0 FCAERP O=C(/C=C/C=C\C(=O)N1CC([NH+]2CCCC2)C1)N1CC([NH+]2CCCC2)C1 ZINC000912322131 1196340356 /nfs/dbraw/zinc/34/03/56/1196340356.db2.gz NQIIJGJWLRFYSI-JOTJMYPPSA-N 2 0 358.486 0.712 10 0 FCAERP CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000912723445 1196360575 /nfs/dbraw/zinc/36/05/75/1196360575.db2.gz GVNCWFVDUGTTDR-FPOVZHCZSA-N 2 0 374.529 0.766 10 0 FCAERP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000912723447 1196361527 /nfs/dbraw/zinc/36/15/27/1196361527.db2.gz GVNCWFVDUGTTDR-TZIWHRDSSA-N 2 0 374.529 0.766 10 0 FCAERP O=C(NC12CC[NH+](CC1)C2)[C@H]1CCC[C@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913628667 1197093474 /nfs/dbraw/zinc/09/34/74/1197093474.db2.gz NIPYNFONFZYNEI-HOTGVXAUSA-N 2 0 360.502 0.722 10 0 FCAERP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000914017686 1197201752 /nfs/dbraw/zinc/20/17/52/1197201752.db2.gz IZUCWLIYGGTIFU-SFHVURJKSA-N 2 0 367.538 0.565 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000793815914 1201269878 /nfs/dbraw/zinc/26/98/78/1201269878.db2.gz VNVDLPJQEJTDRH-DLBZAZTESA-N 2 0 366.506 0.204 10 0 FCAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810584542 1202949398 /nfs/dbraw/zinc/94/93/98/1202949398.db2.gz DJRLZUZCXCIGQP-HNAYVOBHSA-N 2 0 368.497 0.964 10 0 FCAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810584541 1202949491 /nfs/dbraw/zinc/94/94/91/1202949491.db2.gz DJRLZUZCXCIGQP-DNVCBOLYSA-N 2 0 368.497 0.964 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000819060310 1203149007 /nfs/dbraw/zinc/14/90/07/1203149007.db2.gz HSAHBRGGGYPFFB-IRXDYDNUSA-N 2 0 370.538 0.974 10 0 FCAERP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819266214 1203154423 /nfs/dbraw/zinc/15/44/23/1203154423.db2.gz XLOFHSDZRAJNDF-BRWVUGGUSA-N 2 0 370.538 0.830 10 0 FCAERP CN(C[C@@H](O)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC000822751108 1203235807 /nfs/dbraw/zinc/23/58/07/1203235807.db2.gz SWFBTSCUNNLUIN-DLBZAZTESA-N 2 0 370.538 0.926 10 0 FCAERP CN(C[C@@H](O)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC000822751109 1203236082 /nfs/dbraw/zinc/23/60/82/1203236082.db2.gz SWFBTSCUNNLUIN-IAGOWNOFSA-N 2 0 370.538 0.926 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001487584507 1208381706 /nfs/dbraw/zinc/38/17/06/1208381706.db2.gz WRASYZWMZOTCIR-BRWVUGGUSA-N 2 0 368.522 0.260 10 0 FCAERP CCN(C[C@@H]1CCOC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867357399 1208408561 /nfs/dbraw/zinc/40/85/61/1208408561.db2.gz CXFNODRGDQLDGD-GVDBMIGSSA-N 2 0 368.522 0.069 10 0 FCAERP CN(C[C@@H]1CCCCO1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867393756 1208457182 /nfs/dbraw/zinc/45/71/82/1208457182.db2.gz MBXPGGKNRUVWER-ZACQAIPSSA-N 2 0 368.522 0.212 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3CCC[C@H]32)C[C@H]1C[NH+](C)C ZINC000867403094 1208464158 /nfs/dbraw/zinc/46/41/58/1208464158.db2.gz NOGLRCKWXROMLS-BSDSXHPESA-N 2 0 364.534 0.975 10 0 FCAERP CN(C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C1CC1)C1CC1 ZINC000867423782 1208473837 /nfs/dbraw/zinc/47/38/37/1208473837.db2.gz LMPQZMZUGOQHSI-IAGOWNOFSA-N 2 0 364.534 0.831 10 0 FCAERP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1)C(=O)N(C)C ZINC001488937797 1208577650 /nfs/dbraw/zinc/57/76/50/1208577650.db2.gz GVXTWPVUJWVMFO-HRCADAONSA-N 2 0 350.507 0.966 10 0 FCAERP C[NH+]1CCC(OCC(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cncn3)C2)CC1 ZINC001488958940 1208586019 /nfs/dbraw/zinc/58/60/19/1208586019.db2.gz KDVWHCUZVVHGAI-JKSUJKDBSA-N 2 0 364.494 0.263 10 0 FCAERP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC001488967740 1208590420 /nfs/dbraw/zinc/59/04/20/1208590420.db2.gz DLFKELWWYDOZPP-OKZBNKHCSA-N 2 0 363.506 0.726 10 0 FCAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1CC)[NH+](C)C ZINC001489122515 1208632093 /nfs/dbraw/zinc/63/20/93/1208632093.db2.gz GSHJANQWMXUJEW-RRFJBIMHSA-N 2 0 352.479 0.445 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001489246193 1208685813 /nfs/dbraw/zinc/68/58/13/1208685813.db2.gz XJVVWMOXBSPNLI-YYIAUSFCSA-N 2 0 350.507 0.726 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001489291202 1208721440 /nfs/dbraw/zinc/72/14/40/1208721440.db2.gz VYLJAUGQGAGAHL-KGLIPLIRSA-N 2 0 367.494 0.095 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001489394425 1208814124 /nfs/dbraw/zinc/81/41/24/1208814124.db2.gz CUEOVHPTCFQVLW-IAGOWNOFSA-N 2 0 368.522 0.137 10 0 FCAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)C[C@H]1OC ZINC001489535878 1208897211 /nfs/dbraw/zinc/89/72/11/1208897211.db2.gz ZSXBGRKYDODGMS-BRWVUGGUSA-N 2 0 368.522 0.402 10 0 FCAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001489650859 1209037630 /nfs/dbraw/zinc/03/76/30/1209037630.db2.gz OEBYXCFBGIRKRQ-IXDOHACOSA-N 2 0 368.497 0.821 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC001489653528 1209040220 /nfs/dbraw/zinc/04/02/20/1209040220.db2.gz OPAOHOMUWKPJTE-QBPKDAKJSA-N 2 0 350.507 0.726 10 0 FCAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001489654818 1209041475 /nfs/dbraw/zinc/04/14/75/1209041475.db2.gz MNDFZWPVFZLCPX-OWCLPIDISA-N 2 0 356.486 0.677 10 0 FCAERP CCNC(=O)NC(=O)C[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001490328913 1209320569 /nfs/dbraw/zinc/32/05/69/1209320569.db2.gz HBKCNOIEHZJKFR-ZIAGYGMSSA-N 2 0 355.483 0.001 10 0 FCAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001490363724 1209338111 /nfs/dbraw/zinc/33/81/11/1209338111.db2.gz BGFUQGAPMACQER-NXHRZFHOSA-N 2 0 364.534 0.881 10 0 FCAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001490363722 1209338285 /nfs/dbraw/zinc/33/82/85/1209338285.db2.gz BGFUQGAPMACQER-KBAYOESNSA-N 2 0 364.534 0.881 10 0 FCAERP CN(C(=O)c1ccc(NC(=O)C2=NO[C@H](C[NH3+])C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000852870061 1209570319 /nfs/dbraw/zinc/57/03/19/1209570319.db2.gz AFSIEYWXBMJMQN-HOTGVXAUSA-N 2 0 373.457 0.895 10 0 FCAERP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852872760 1209571151 /nfs/dbraw/zinc/57/11/51/1209571151.db2.gz LXFXINHSUBQRTP-QGZVFWFLSA-N 2 0 365.522 0.745 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC1 ZINC000853123411 1209583742 /nfs/dbraw/zinc/58/37/42/1209583742.db2.gz QSBRAWOUHVPKDF-KOHRHEQBSA-N 2 0 368.522 0.584 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N(CCO)CC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000867447229 1209716925 /nfs/dbraw/zinc/71/69/25/1209716925.db2.gz RFIMZCPPFUEZBF-HZPDHXFCSA-N 2 0 370.538 0.051 10 0 FCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861571714 1209871724 /nfs/dbraw/zinc/87/17/24/1209871724.db2.gz GUBQYHFAFHXLJU-BMFZPTHFSA-N 2 0 367.494 0.683 10 0 FCAERP CCC[N@H+](CC)CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861598539 1209871971 /nfs/dbraw/zinc/87/19/71/1209871971.db2.gz XRPPOGHZRIZHEX-CVEARBPZSA-N 2 0 367.494 0.685 10 0 FCAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861639233 1209873317 /nfs/dbraw/zinc/87/33/17/1209873317.db2.gz BZUZXPIKLGBAMA-HNKHHVNMSA-N 2 0 365.478 0.471 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)cn1 ZINC000865085446 1209970092 /nfs/dbraw/zinc/97/00/92/1209970092.db2.gz NFJYCQNVHCNIKP-AWEZNQCLSA-N 2 0 368.482 0.838 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000865089385 1209970927 /nfs/dbraw/zinc/97/09/27/1209970927.db2.gz PGZTWBUZIXKBHI-YESZJQIVSA-N 2 0 368.522 0.674 10 0 FCAERP COC1CC[NH+](CCNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000866415706 1209996505 /nfs/dbraw/zinc/99/65/05/1209996505.db2.gz CDCOTFKZCYOFNT-HNNXBMFYSA-N 2 0 372.510 0.668 10 0 FCAERP CO[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[C@@H]1C ZINC000867535621 1210011559 /nfs/dbraw/zinc/01/15/59/1210011559.db2.gz KTVBMHRZIJOAMJ-HZMVEIRTSA-N 2 0 368.522 0.068 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1C[NH+](C)C ZINC000867677869 1210021445 /nfs/dbraw/zinc/02/14/45/1210021445.db2.gz PFEWIIBDXPFEOG-CWQOZTLDSA-N 2 0 364.534 0.737 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC4(CC3)CC[NH+](C)CC4)CC[C@H]21 ZINC000867798198 1210029424 /nfs/dbraw/zinc/02/94/24/1210029424.db2.gz BZKXXDMTOXNRHZ-DLBZAZTESA-N 2 0 362.518 0.873 10 0 FCAERP C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868224404 1210044307 /nfs/dbraw/zinc/04/43/07/1210044307.db2.gz HWNVVVWNGWITKO-DLBZAZTESA-N 2 0 373.501 0.582 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)CC[C@@H]21 ZINC000868308717 1210050977 /nfs/dbraw/zinc/05/09/77/1210050977.db2.gz CXHGNJSIUJLCNR-CJNGLKHVSA-N 2 0 360.433 0.963 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)CC[C@H]21 ZINC000868309863 1210051762 /nfs/dbraw/zinc/05/17/62/1210051762.db2.gz NOAWYLYDPUWDOX-NXHRZFHOSA-N 2 0 372.469 0.839 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000868312050 1210051835 /nfs/dbraw/zinc/05/18/35/1210051835.db2.gz JPUSRDOZBMCOGF-GOSISDBHSA-N 2 0 364.494 0.607 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCc4ccccc4[C@@H]3C[NH3+])CC[C@@H]21 ZINC000868393638 1210061454 /nfs/dbraw/zinc/06/14/54/1210061454.db2.gz QLJHERBWMLMEKP-NJAFHUGGSA-N 2 0 356.470 0.624 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3[C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000868392155 1210061715 /nfs/dbraw/zinc/06/17/15/1210061715.db2.gz TVXLXKJQVWPUKS-ZJPYXAASSA-N 2 0 362.518 0.920 10 0 FCAERP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)CC2)c1 ZINC000868416830 1210063915 /nfs/dbraw/zinc/06/39/15/1210063915.db2.gz BQHLRBBRYFBLHJ-JKSUJKDBSA-N 2 0 373.457 0.092 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)CC[C@H]21 ZINC000868644916 1210070875 /nfs/dbraw/zinc/07/08/75/1210070875.db2.gz NHSCIUFJYHWWRK-DLBZAZTESA-N 2 0 365.522 0.714 10 0 FCAERP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000868943858 1210078688 /nfs/dbraw/zinc/07/86/88/1210078688.db2.gz LZZIWUXRIGWOOV-KURKYZTESA-N 2 0 363.506 0.418 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccccc2C(N)=O)C[C@H]1C[NH+](C)C ZINC000870018841 1210099542 /nfs/dbraw/zinc/09/95/42/1210099542.db2.gz HMSGJQUZKILURI-IAGOWNOFSA-N 2 0 360.502 0.916 10 0 FCAERP COc1c2cnn(C)c2ncc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019291 1210099760 /nfs/dbraw/zinc/09/97/60/1210099760.db2.gz COFGUYCRFUYJDG-ZIAGYGMSSA-N 2 0 374.489 0.788 10 0 FCAERP CN1c2cc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)ccc2OCC1=O ZINC000870016135 1210099808 /nfs/dbraw/zinc/09/98/08/1210099808.db2.gz CQHVZXFBMPVKGF-HZPDHXFCSA-N 2 0 374.485 0.853 10 0 FCAERP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997206 1210125156 /nfs/dbraw/zinc/12/51/56/1210125156.db2.gz KQCIUAISQRFADU-KSZLIROESA-N 2 0 370.453 0.382 10 0 FCAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000872145751 1210173535 /nfs/dbraw/zinc/17/35/35/1210173535.db2.gz XFTFHAAAPIFXHS-IXDOHACOSA-N 2 0 365.474 0.829 10 0 FCAERP COC(=O)c1ccc(OC)c2c1CC[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000872154447 1210173698 /nfs/dbraw/zinc/17/36/98/1210173698.db2.gz QEQYKUKMRQDKBZ-UHFFFAOYSA-N 2 0 361.442 0.662 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000872192396 1210177284 /nfs/dbraw/zinc/17/72/84/1210177284.db2.gz VFDQLBXFDAVVCB-BBTUJRGHSA-N 2 0 370.497 0.787 10 0 FCAERP CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000872196317 1210179025 /nfs/dbraw/zinc/17/90/25/1210179025.db2.gz QASIAPIYNGOHRI-FXAWDEMLSA-N 2 0 358.486 0.774 10 0 FCAERP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000872254345 1210182024 /nfs/dbraw/zinc/18/20/24/1210182024.db2.gz AJHQJGDCRWMKMF-IKGGRYGDSA-N 2 0 358.442 0.778 10 0 FCAERP O=C(c1cccc2c1CC[NH2+]C2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872304800 1210188546 /nfs/dbraw/zinc/18/85/46/1210188546.db2.gz OFPWGNHBZOULRY-XKQJLSEDSA-N 2 0 356.426 0.339 10 0 FCAERP CN1CCC(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)([NH+]2CCCCC2)CC1 ZINC000545176941 1211414446 /nfs/dbraw/zinc/41/44/46/1211414446.db2.gz XDOKWZIZCPVWID-IBGZPJMESA-N 2 0 367.538 0.303 10 0 FCAERP CC[C@H](CN1CCOCC1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000925618794 1211505255 /nfs/dbraw/zinc/50/52/55/1211505255.db2.gz YBJPLKKCWUXYPZ-KZNAEPCWSA-N 3 0 369.554 0.478 10 0 FCAERP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)N1CCNCC[NH2+]CC1 ZINC000926187233 1211520665 /nfs/dbraw/zinc/52/06/65/1211520665.db2.gz AHVVTDJURVUOPN-IBGZPJMESA-N 2 0 372.517 0.998 10 0 FCAERP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926287319 1211526462 /nfs/dbraw/zinc/52/64/62/1211526462.db2.gz IGXGGJQXUIYOTM-LJQANCHMSA-N 2 0 357.458 0.475 10 0 FCAERP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926334815 1211533386 /nfs/dbraw/zinc/53/33/86/1211533386.db2.gz LBYZPLVRFHCYAX-MRXNPFEDSA-N 2 0 366.506 0.287 10 0 FCAERP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@]4(C3)CCCC[NH2+]4)C2)CC1 ZINC000926363084 1211539608 /nfs/dbraw/zinc/53/96/08/1211539608.db2.gz WIYHDONRWGJKRP-XLIONFOSSA-N 2 0 362.518 0.921 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[C@@H]1C[NH3+] ZINC000926375760 1211541207 /nfs/dbraw/zinc/54/12/07/1211541207.db2.gz UYOTUFLNTGKKCA-YESZJQIVSA-N 2 0 366.506 0.001 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@H]1CC[NH3+] ZINC000927825861 1211583640 /nfs/dbraw/zinc/58/36/40/1211583640.db2.gz KJSCJZKTLWIPJJ-ZIAGYGMSSA-N 2 0 362.478 0.532 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)cc2)CC1 ZINC000927855362 1211585813 /nfs/dbraw/zinc/58/58/13/1211585813.db2.gz RDGQPJSGTPUADS-KRWDZBQOSA-N 2 0 373.501 0.963 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)NC[C@]34CCC[C@H]3[NH2+]CC4)cn2)CC1 ZINC000927868586 1211587370 /nfs/dbraw/zinc/58/73/70/1211587370.db2.gz KJHLAURTYQROJE-VQIMIIECSA-N 2 0 374.489 0.737 10 0 FCAERP CC(C)[NH+](CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)C(C)C ZINC000929145021 1211619294 /nfs/dbraw/zinc/61/92/94/1211619294.db2.gz YMYSEVZOHBOKBT-IAGOWNOFSA-N 2 0 368.522 0.279 10 0 FCAERP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929244754 1211625424 /nfs/dbraw/zinc/62/54/24/1211625424.db2.gz MOSRVRJOCCNQBW-IRXDYDNUSA-N 2 0 366.506 0.036 10 0 FCAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000929402258 1211636040 /nfs/dbraw/zinc/63/60/40/1211636040.db2.gz GQASKKXGMZMOCX-RDJZCZTQSA-N 2 0 366.506 0.347 10 0 FCAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000929567306 1211647526 /nfs/dbraw/zinc/64/75/26/1211647526.db2.gz JSRMBRXJDNJCNJ-ULQDDVLXSA-N 2 0 364.490 0.099 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+]1CCCCC1 ZINC000929604576 1211650089 /nfs/dbraw/zinc/65/00/89/1211650089.db2.gz DVYZPCWTQLKXHX-ZACQAIPSSA-N 2 0 366.506 0.035 10 0 FCAERP CC(C)[C@]1(C(=O)NC[C@H]2CC[NH+](C)C2)C[C@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000930361993 1211704936 /nfs/dbraw/zinc/70/49/36/1211704936.db2.gz BDOMFWSAPHTSKN-PDOICOKGSA-N 2 0 364.534 0.785 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)C1 ZINC000931302638 1211750020 /nfs/dbraw/zinc/75/00/20/1211750020.db2.gz ASWWKWYVXMIGLM-MISYRCLQSA-N 2 0 366.550 0.733 10 0 FCAERP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCC[NH+](C)C)[NH+](C)C ZINC001490862201 1212710878 /nfs/dbraw/zinc/71/08/78/1212710878.db2.gz VEXNYVKNKUYGBQ-XLMAVXFVSA-N 2 0 368.522 0.399 10 0 FCAERP O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900900508 1218051216 /nfs/dbraw/zinc/05/12/16/1218051216.db2.gz WBHUXYNEKDKSGO-UYAOXDASSA-N 2 0 359.470 0.460 10 0 FCAERP CC(C)N1CC[NH+](C2CCN(C(=O)C[C@@]3(O)CCC[N@H+](C)C3)CC2)CC1 ZINC000901240246 1218097627 /nfs/dbraw/zinc/09/76/27/1218097627.db2.gz NFXHMUNGAWYIPX-FQEVSTJZSA-N 2 0 366.550 0.850 10 0 FCAERP Cc1cc(N2CCC[C@H](N3CC[NH+](C[C@@H]4CC[C@H]([NH3+])C4)CC3)C2=O)n(C)n1 ZINC000903456708 1218416728 /nfs/dbraw/zinc/41/67/28/1218416728.db2.gz JHKXLHBPVPKLKE-SQNIBIBYSA-N 2 0 374.533 0.969 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@H]1CC[NH3+] ZINC000903760294 1218519160 /nfs/dbraw/zinc/51/91/60/1218519160.db2.gz SAXJPQIPOFEDEF-YFHUEUNASA-N 2 0 362.518 0.905 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001490920873 1219731101 /nfs/dbraw/zinc/73/11/01/1219731101.db2.gz APYGNNBWCWVUDK-BXWFABGCSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001491153834 1220088735 /nfs/dbraw/zinc/08/87/35/1220088735.db2.gz XVCFDINXUAAGKV-QLFBSQMISA-N 2 0 363.462 0.782 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@@H](C)C(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001277397533 1226017242 /nfs/dbraw/zinc/01/72/42/1226017242.db2.gz NRLQMDZEOZQZCG-AEGPPILISA-N 2 0 367.494 0.223 10 0 FCAERP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cn1 ZINC001118442980 1221779807 /nfs/dbraw/zinc/77/98/07/1221779807.db2.gz HOSAQEFCEBBFOF-ZIFCJYIRSA-N 2 0 363.506 0.371 10 0 FCAERP CC[C@@]1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[NH2+]C1 ZINC001118514420 1221792910 /nfs/dbraw/zinc/79/29/10/1221792910.db2.gz YYUFSOPBBBKPHW-DNVCBOLYSA-N 2 0 360.506 0.915 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cn(Cc3cccnc3)nn2)CC1 ZINC001118520687 1221793908 /nfs/dbraw/zinc/79/39/08/1221793908.db2.gz HEQPPAOVXDEOOV-UHFFFAOYSA-N 2 0 371.489 0.802 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CCN1c1cc[nH+]cc1 ZINC001119534229 1221929992 /nfs/dbraw/zinc/92/99/92/1221929992.db2.gz OBMSRNFHDJLNKQ-MRXNPFEDSA-N 2 0 373.501 0.967 10 0 FCAERP CN1CC[NH+](CC2CCN(C(=O)N[C@@H]3CC[C@@H]4C[N@H+](C)C[C@H]34)CC2)CC1 ZINC001123705116 1222352517 /nfs/dbraw/zinc/35/25/17/1222352517.db2.gz JFFSRIIAALGVNO-CEXWTWQISA-N 2 0 363.550 0.996 10 0 FCAERP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCC[C@@H]2[NH+]2CCC(O)CC2)CC1 ZINC001123862513 1222361474 /nfs/dbraw/zinc/36/14/74/1222361474.db2.gz MVXQINQRMABVMT-MOPGFXCFSA-N 2 0 366.550 0.897 10 0 FCAERP C[NH+]1C[C@H]2CC[C@@H](NC(=O)[C@H](F)C(=O)N[C@H]3CC[C@H]4C[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC001124106662 1222380878 /nfs/dbraw/zinc/38/08/78/1222380878.db2.gz HZPNABSICVVCCV-KEOCIWJQSA-N 2 0 366.481 0.237 10 0 FCAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000843258486 1222867321 /nfs/dbraw/zinc/86/73/21/1222867321.db2.gz GHCWFURWCXDVDZ-JFIYKMOQSA-N 2 0 372.469 0.051 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccn(CC[NH+](C)C)n2)cn1 ZINC000849513239 1245398671 /nfs/dbraw/zinc/39/86/71/1245398671.db2.gz RAQKUCUFWWJNGZ-JKSUJKDBSA-N 2 0 359.478 0.852 10 0 FCAERP CN(C)CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849591569 1245405325 /nfs/dbraw/zinc/40/53/25/1245405325.db2.gz GJCLVUDAMXYQHN-ROUUACIJSA-N 2 0 364.538 0.455 10 0 FCAERP C[C@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@@H]([NH3+])c1ccccc1 ZINC000870999315 1245432574 /nfs/dbraw/zinc/43/25/74/1245432574.db2.gz MQOHCDWFELWMGT-BTYMGIQYSA-N 2 0 358.442 0.716 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000897480606 1245473023 /nfs/dbraw/zinc/47/30/23/1245473023.db2.gz DKLOSGQUWJWCJD-SOLBZPMBSA-N 2 0 371.485 0.862 10 0 FCAERP C[C@@H]1[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000915542774 1245523938 /nfs/dbraw/zinc/52/39/38/1245523938.db2.gz POSNHHDXRHAJLG-SJLPKXTDSA-N 3 0 360.506 0.986 10 0 FCAERP COC(OC)[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000915541548 1245524054 /nfs/dbraw/zinc/52/40/54/1245524054.db2.gz FJWYMIXHYRUIMY-OAHLLOKOSA-N 2 0 365.478 0.900 10 0 FCAERP C[C@@H]1[C@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000916435481 1245535171 /nfs/dbraw/zinc/53/51/71/1245535171.db2.gz JHEWGTQSHTUEIV-RHSMWYFYSA-N 2 0 361.490 0.870 10 0 FCAERP C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000921667359 1245647862 /nfs/dbraw/zinc/64/78/62/1245647862.db2.gz FZQRIHHCJHUDRH-GOSISDBHSA-N 2 0 367.538 0.565 10 0 FCAERP CCOC(=O)c1ccc(N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)nc1 ZINC000923371997 1245712366 /nfs/dbraw/zinc/71/23/66/1245712366.db2.gz DRCOZRSAMQHJRT-INIZCTEOSA-N 2 0 360.458 0.759 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)Cn3ccnc3C)CC2)CC[N@@H+]1C ZINC000941112002 1246467552 /nfs/dbraw/zinc/46/75/52/1246467552.db2.gz RXBVBCKJRLLOFC-DLBZAZTESA-N 2 0 361.490 0.983 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(CNCc3ncccn3)CC2)CC[N@@H+]1C ZINC001328165520 1265496267 /nfs/dbraw/zinc/49/62/67/1265496267.db2.gz BNCDUEPABVKCIN-JKSUJKDBSA-N 2 0 361.490 0.650 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001328352913 1265537612 /nfs/dbraw/zinc/53/76/12/1265537612.db2.gz ZUOGKHZZZLZXCC-DLBZAZTESA-N 2 0 365.522 0.903 10 0 FCAERP CO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H]1C ZINC001329510982 1265773000 /nfs/dbraw/zinc/77/30/00/1265773000.db2.gz LOSYUBBORXSFDY-QBPKDAKJSA-N 2 0 368.522 0.068 10 0 FCAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC001329563551 1265782395 /nfs/dbraw/zinc/78/23/95/1265782395.db2.gz ZHRGLUGUKYAPOU-KBPBESRZSA-N 2 0 362.478 0.674 10 0 FCAERP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C(C)=O)c2cccc3c2C[NH2+]CC3)C1 ZINC001329564712 1265782790 /nfs/dbraw/zinc/78/27/90/1265782790.db2.gz CDEKPMYHXYMOPC-OAHLLOKOSA-N 2 0 358.442 0.422 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cn2)CC1 ZINC001330564346 1266060040 /nfs/dbraw/zinc/06/00/40/1266060040.db2.gz QTWMIGPFLCSNKR-QDMKHBRRSA-N 2 0 374.489 0.735 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC001331711452 1266271016 /nfs/dbraw/zinc/27/10/16/1266271016.db2.gz HWBBUBFJCUCHGY-FVQBIDKESA-N 2 0 363.458 0.365 10 0 FCAERP C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@@H]1F ZINC001335599617 1259736008 /nfs/dbraw/zinc/73/60/08/1259736008.db2.gz YEPHODDUJPKGQZ-JJXSEGSLSA-N 2 0 356.486 0.391 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(N)c2)C[C@H]1C[NH+](C)C ZINC001261874586 1260205354 /nfs/dbraw/zinc/20/53/54/1260205354.db2.gz FHXLQEJKGRJNGP-CHWSQXEVSA-N 2 0 365.453 0.544 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H](C2CC2)N(C)C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001336935675 1260259237 /nfs/dbraw/zinc/25/92/37/1260259237.db2.gz BEIMWXGUJJADOV-DJIMGWMZSA-N 2 0 362.518 0.776 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCOC)C1 ZINC001263944156 1260358177 /nfs/dbraw/zinc/35/81/77/1260358177.db2.gz SCOIIUREOGAVBF-RCCFBDPRSA-N 2 0 363.506 0.825 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCOCCNC(C)=O ZINC001264624052 1260384457 /nfs/dbraw/zinc/38/44/57/1260384457.db2.gz ZDFMBZQNWNUJGJ-DLBZAZTESA-N 2 0 366.506 0.204 10 0 FCAERP COC[C@@]1(C)CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001332076591 1266330924 /nfs/dbraw/zinc/33/09/24/1266330924.db2.gz ZTOQKBFCKRWXMI-MDZRGWNJSA-N 2 0 368.522 0.069 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CCC(C)([NH3+])CC1)c1cccc2c1C[NH2+]CC2 ZINC001332115553 1266338871 /nfs/dbraw/zinc/33/88/71/1266338871.db2.gz FTWCZDNGZISYLF-UHFFFAOYSA-N 2 0 358.442 0.552 10 0 FCAERP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001281709882 1261166049 /nfs/dbraw/zinc/16/60/49/1261166049.db2.gz GSCARAVKDNRVFW-GVDBMIGSSA-N 2 0 368.522 0.279 10 0 FCAERP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001281850692 1261233277 /nfs/dbraw/zinc/23/32/77/1261233277.db2.gz LKLDYOVTMWXXQD-BZUAXINKSA-N 2 0 368.522 0.401 10 0 FCAERP Cn1cncc1CC(=O)N1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001281978532 1261318715 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368.522 0.545 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]21 ZINC001514022076 1265316768 /nfs/dbraw/zinc/31/67/68/1265316768.db2.gz VLGGFJSBLVVEJT-GVDBMIGSSA-N 2 0 350.507 0.729 10 0 FCAERP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1)C1CCC1 ZINC001514397791 1265345745 /nfs/dbraw/zinc/34/57/45/1265345745.db2.gz NZZYMNXUCWMZGW-DJIMGWMZSA-N 2 0 350.507 0.966 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001522269813 1266454300 /nfs/dbraw/zinc/45/43/00/1266454300.db2.gz MVXFBLBWPWNNQC-TVFCKZIOSA-N 2 0 362.518 0.918 10 0 FCAERP O=C1[C@@H]([N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCN1C1CC1 ZINC001333621761 1266653761 /nfs/dbraw/zinc/65/37/61/1266653761.db2.gz GQGNAYUNJPKSQX-PBHICJAKSA-N 2 0 358.490 0.762 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNC(=O)Cn3ccnc3C)C2)CC[N@@H+]1C ZINC001527176395 1266873340 /nfs/dbraw/zinc/87/33/40/1266873340.db2.gz XFKPONWPEFUSOG-YESZJQIVSA-N 2 0 361.490 0.887 10 0 FCAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C[N@@H+]2C1 ZINC001527645980 1266911836 /nfs/dbraw/zinc/91/18/36/1266911836.db2.gz BXNFYFPJQPZCOS-QZWWFDLISA-N 2 0 350.507 0.810 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001527645932 1266912015 /nfs/dbraw/zinc/91/20/15/1266912015.db2.gz BIVYQQYPNDWQHC-JENIJYKNSA-N 2 0 366.506 0.528 10 0 FCAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001536392871 1267325256 /nfs/dbraw/zinc/32/52/56/1267325256.db2.gz NXPMGNQKVGAKCF-BMFZPTHFSA-N 2 0 356.486 0.676 10 0 FCAERP CN1CCC([NH+]2CCC(N3C(=O)N[C@@H](CC4OCCO4)C3=O)CC2)CC1 ZINC001340047299 1268417771 /nfs/dbraw/zinc/41/77/71/1268417771.db2.gz GSDHROKPSZGNRS-HNNXBMFYSA-N 2 0 366.462 0.228 10 0 FCAERP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O)[NH+](CC)CC ZINC001341790973 1269209252 /nfs/dbraw/zinc/20/92/52/1269209252.db2.gz YAPWQLGVKPGTRH-OWCLPIDISA-N 2 0 368.522 0.279 10 0 FCAERP C[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C[NH2+]CCCO)C1 ZINC001565963852 1269533555 /nfs/dbraw/zinc/53/35/55/1269533555.db2.gz CFXZLDIFHOWWTG-CVEARBPZSA-N 2 0 351.495 0.657 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC001566028952 1269565174 /nfs/dbraw/zinc/56/51/74/1269565174.db2.gz LPCUPHLEGRFJIQ-YESZJQIVSA-N 2 0 368.522 0.279 10 0 FCAERP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001566045355 1269576603 /nfs/dbraw/zinc/57/66/03/1269576603.db2.gz VSGHSAKYCXBHEJ-FGTMMUONSA-N 2 0 362.518 0.587 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCCO[C@@H]1CCOC1 ZINC001566109173 1269611001 /nfs/dbraw/zinc/61/10/01/1269611001.db2.gz BKNHQRDUUIPTSP-ZACQAIPSSA-N 2 0 351.491 0.857 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001567016109 1269674343 /nfs/dbraw/zinc/67/43/43/1269674343.db2.gz CYBWMSKFDGOSIQ-HZSPNIEDSA-N 2 0 369.510 0.435 10 0 FCAERP 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[NH3+]C1CCC(NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC001118861331 847608905 /nfs/dbraw/zinc/60/89/05/847608905.db2.gz FPDPSHCIMQRVRG-VHMBPLKRSA-N 2 0 351.451 0.223 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC001119770636 847970981 /nfs/dbraw/zinc/97/09/81/847970981.db2.gz DBUQEGMQUCXNEQ-WNKDZCFJSA-N 2 0 350.507 0.535 10 0 FCAERP Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001136647257 849231818 /nfs/dbraw/zinc/23/18/18/849231818.db2.gz HWHQYRCKKPEXEK-UHFFFAOYSA-N 2 0 353.467 0.471 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3ocnc3C)C2)CC[N@@H+]1C ZINC001278782589 862475199 /nfs/dbraw/zinc/47/51/99/862475199.db2.gz ZTLUKWMDGCWTQX-DAYGRLMNSA-N 2 0 350.463 0.766 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC(=O)NC)CC2)CC[N@@H+]1C ZINC001279254123 862795103 /nfs/dbraw/zinc/79/51/03/862795103.db2.gz OGPMXSVHLXLEDL-LUKYLMHMSA-N 2 0 352.523 0.975 10 0 FCAERP 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C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C[N@@H+]1CCO ZINC000419335263 246104215 /nfs/dbraw/zinc/10/42/15/246104215.db2.gz JVEBFJDPRWMIQW-AOIWGVFYSA-N 2 0 362.518 0.792 10 0 FCAERP O=C(NCCN1CCc2ccccc2C1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419390808 246128956 /nfs/dbraw/zinc/12/89/56/246128956.db2.gz JHVNOGLIVMTBRJ-HDICACEKSA-N 2 0 356.470 0.514 10 0 FCAERP CC[C@H](NC(=O)C(=O)NCCC[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419409199 246141651 /nfs/dbraw/zinc/14/16/51/246141651.db2.gz DVXWDWDQTNMGEM-DLBZAZTESA-N 2 0 362.474 0.247 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419504325 246184121 /nfs/dbraw/zinc/18/41/21/246184121.db2.gz GKNNPSAOJZOIOH-NXHRZFHOSA-N 2 0 358.486 0.739 10 0 FCAERP CC1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000419487688 246181045 /nfs/dbraw/zinc/18/10/45/246181045.db2.gz ZDTQBXHYYJLBND-CALCHBBNSA-N 2 0 350.507 0.968 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 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KXIBJBVTSQIFJC-IBGZPJMESA-N 2 0 350.507 0.923 10 0 FCAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000423454466 247031930 /nfs/dbraw/zinc/03/19/30/247031930.db2.gz ZCKACYUODWLVFY-BBWFWOEESA-N 2 0 366.506 0.299 10 0 FCAERP NC(=O)NC1CC[NH+](Cc2ccc(C[N@H+]3CCC(NC(N)=O)C3)cc2)C1 ZINC000270589497 211231559 /nfs/dbraw/zinc/23/15/59/211231559.db2.gz DXZCPKRZAVCLBM-HZPDHXFCSA-N 2 0 360.462 0.172 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000471843090 250120919 /nfs/dbraw/zinc/12/09/19/250120919.db2.gz GUZGKJAKRMWQOH-OAHLLOKOSA-N 2 0 355.527 0.959 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000480821782 250285583 /nfs/dbraw/zinc/28/55/83/250285583.db2.gz WRUGRZSSIDMBPL-OAHLLOKOSA-N 2 0 357.524 0.776 10 0 FCAERP CCn1cncc1S(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000481865864 250367389 /nfs/dbraw/zinc/36/73/89/250367389.db2.gz MWMLNUXDIIRDEQ-HNNXBMFYSA-N 2 0 357.524 0.940 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000481878732 250371190 /nfs/dbraw/zinc/37/11/90/250371190.db2.gz ICCUHYLYLOARIP-GVDBMIGSSA-N 2 0 368.522 0.450 10 0 FCAERP Cn1ncc(Cl)c1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000485437345 250588280 /nfs/dbraw/zinc/58/82/80/250588280.db2.gz YDPUCHBIAXKLEV-UHFFFAOYSA-N 2 0 365.931 0.968 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000072858122 208041982 /nfs/dbraw/zinc/04/19/82/208041982.db2.gz DXSSPGUUOUNMJX-QZTJIDSGSA-N 2 0 354.539 0.733 10 0 FCAERP COCC[N@H+](C)CCNC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000108572385 208247719 /nfs/dbraw/zinc/24/77/19/208247719.db2.gz MLUGURKTDSFWPP-QGZVFWFLSA-N 2 0 355.527 0.376 10 0 FCAERP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000187411678 229239822 /nfs/dbraw/zinc/23/98/22/229239822.db2.gz BLLPJDOADOPTEF-MRXNPFEDSA-N 2 0 356.511 0.585 10 0 FCAERP C[C@@H]1C[NH+](CCCCC[N@@H+]2CCN(CCO)[C@H](C)C2)CCN1CCO ZINC000187670381 229243876 /nfs/dbraw/zinc/24/38/76/229243876.db2.gz OBCQOGJZVLQOOC-RTBURBONSA-N 2 0 356.555 0.154 10 0 FCAERP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@]2(C)C1 ZINC000933737728 674271805 /nfs/dbraw/zinc/27/18/05/674271805.db2.gz BOVWJLXFFASISL-DYVFJYSZSA-N 2 0 366.487 0.546 10 0 FCAERP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000041643407 487836193 /nfs/dbraw/zinc/83/61/93/487836193.db2.gz SLUHXAWEGBAXMC-QGZVFWFLSA-N 2 0 362.474 0.650 10 0 FCAERP O[C@H]1CN(c2nc(NC3CC3)nc3c2CC[NH2+]CC3)C[C@@H]1[NH+]1CCCC1 ZINC000072431523 488380719 /nfs/dbraw/zinc/38/07/19/488380719.db2.gz YXWAXHDCZRJIPI-IRXDYDNUSA-N 2 0 358.490 0.384 10 0 FCAERP CC(C)C[NH+]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000072824030 488383104 /nfs/dbraw/zinc/38/31/04/488383104.db2.gz HNFOWDKRRCIEKF-GOSISDBHSA-N 2 0 354.539 0.733 10 0 FCAERP C[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000073676388 488385662 /nfs/dbraw/zinc/38/56/62/488385662.db2.gz BKSPWRKSBNREQO-QGZVFWFLSA-N 2 0 355.527 0.282 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185373123 488401115 /nfs/dbraw/zinc/40/11/15/488401115.db2.gz MSLSDFKLUHSJBQ-KRWDZBQOSA-N 2 0 369.554 0.813 10 0 FCAERP CC1C[C@H](C(=O)N2CC[C@H]([NH+](C)C)C2)[C@@H](C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000185914373 488403161 /nfs/dbraw/zinc/40/31/61/488403161.db2.gz OXQWMKXXKXGFFZ-XSLAGTTESA-N 2 0 364.534 0.974 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000192668093 488423480 /nfs/dbraw/zinc/42/34/80/488423480.db2.gz PKKCQOUSRQNASO-HNNXBMFYSA-N 2 0 373.523 0.013 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000083188077 488446637 /nfs/dbraw/zinc/44/66/37/488446637.db2.gz GNDOLIYKTQAPDF-UHFFFAOYSA-N 2 0 354.495 0.605 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](CC(N)=O)C2)C1 ZINC000245407758 488463274 /nfs/dbraw/zinc/46/32/74/488463274.db2.gz CTTFUTKBPAMJJN-HOTGVXAUSA-N 2 0 354.495 0.047 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000247601712 488488595 /nfs/dbraw/zinc/48/85/95/488488595.db2.gz URUVGJAMRHYWMC-SJORKVTESA-N 2 0 356.511 0.753 10 0 FCAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103168815 488500233 /nfs/dbraw/zinc/50/02/33/488500233.db2.gz BJXDTPOOIYIRMU-HXUWFJFHSA-N 2 0 374.529 0.719 10 0 FCAERP CN1CCN(c2cc(C(=O)Nc3cnn(CC[NH+](C)C)c3)ccn2)CC1 ZINC000104051551 488503589 /nfs/dbraw/zinc/50/35/89/488503589.db2.gz WDWNZEVZXFAOHP-UHFFFAOYSA-N 2 0 357.462 0.844 10 0 FCAERP C[C@H]1C[NH+](CCCCC[N@@H+]2CCN(CCO)[C@@H](C)C2)CCN1CCO ZINC000249570105 488512225 /nfs/dbraw/zinc/51/22/25/488512225.db2.gz OBCQOGJZVLQOOC-OALUTQOASA-N 2 0 356.555 0.154 10 0 FCAERP C[C@H](O)C[NH+]1CCN(C/C=C\CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)C[C@H]1C ZINC000255794486 488522881 /nfs/dbraw/zinc/52/28/81/488522881.db2.gz LUHGJKTZTGQXFT-CFXMGXPISA-N 2 0 368.566 0.316 10 0 FCAERP COC(=O)CN(C)C(=O)CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111230812 488529064 /nfs/dbraw/zinc/52/90/64/488529064.db2.gz DHVXYRVPQBTMHA-INIZCTEOSA-N 2 0 354.495 0.110 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000111812439 488531546 /nfs/dbraw/zinc/53/15/46/488531546.db2.gz LSQPFPIDYLVCBK-QZTJIDSGSA-N 2 0 369.554 0.668 10 0 FCAERP COCC[N@H+](C)CCOc1cccc(CNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261777620 488535635 /nfs/dbraw/zinc/53/56/35/488535635.db2.gz HBVXXSPDKPXTEQ-UHFFFAOYSA-N 2 0 365.474 0.768 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000129420980 488630770 /nfs/dbraw/zinc/63/07/70/488630770.db2.gz KAYWVKUQUHJOQH-OAHLLOKOSA-N 2 0 364.494 0.620 10 0 FCAERP O=C(C[N@@H+]1CC[C@H](CN2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000129633286 488632536 /nfs/dbraw/zinc/63/25/36/488632536.db2.gz GVIAEHOLBPWJRR-MRXNPFEDSA-N 2 0 350.507 0.384 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCNC(=O)CC1 ZINC000264249577 488658197 /nfs/dbraw/zinc/65/81/97/488658197.db2.gz BEJVFRGCWDQILG-UHFFFAOYSA-N 2 0 360.462 0.125 10 0 FCAERP CC(C)(C)OC(=O)NCCC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+] ZINC000136329694 488676833 /nfs/dbraw/zinc/67/68/33/488676833.db2.gz ZRDISLVGCUPUSU-UHFFFAOYSA-N 3 0 373.542 0.716 10 0 FCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000136979430 488679404 /nfs/dbraw/zinc/67/94/04/488679404.db2.gz ZZKAMWYKQGNMKW-IRXDYDNUSA-N 2 0 367.538 0.911 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000150776585 488700068 /nfs/dbraw/zinc/70/00/68/488700068.db2.gz QGVZFPYNLAAGPW-MOPGFXCFSA-N 2 0 366.550 0.877 10 0 FCAERP CC[NH+]1CCC[C@@H](NC(=O)COCC(=O)N[C@H]2CCC[N@@H+](CC)C2)C1 ZINC000153372706 488730323 /nfs/dbraw/zinc/73/03/23/488730323.db2.gz DIOSPPXBPPLCET-IYBDPMFKSA-N 2 0 354.495 0.204 10 0 FCAERP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000170843231 488816763 /nfs/dbraw/zinc/81/67/63/488816763.db2.gz ARSPADSWTLOMJE-GOSISDBHSA-N 2 0 373.501 0.535 10 0 FCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000171351342 488822682 /nfs/dbraw/zinc/82/26/82/488822682.db2.gz LUILVPCVVYQCFZ-INIZCTEOSA-N 2 0 351.495 0.420 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000181738981 488863851 /nfs/dbraw/zinc/86/38/51/488863851.db2.gz NOEAYXOIHVMIJM-FUHWJXTLSA-N 2 0 370.538 0.831 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000570226903 491226309 /nfs/dbraw/zinc/22/63/09/491226309.db2.gz WZNKRGMBCKMSLB-UHFFFAOYSA-N 2 0 351.495 0.467 10 0 FCAERP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000365198790 489048301 /nfs/dbraw/zinc/04/83/01/489048301.db2.gz NLTXZEDXYXZDDE-OAHLLOKOSA-N 2 0 371.489 0.654 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1)c1ccccc1 ZINC000281114772 489054225 /nfs/dbraw/zinc/05/42/25/489054225.db2.gz WZXMEKNMZLQOTA-INIZCTEOSA-N 2 0 372.473 0.697 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CC1 ZINC000332793640 489231707 /nfs/dbraw/zinc/23/17/07/489231707.db2.gz OGADCZBVVMKDRF-ZWKOTPCHSA-N 2 0 368.522 0.990 10 0 FCAERP CN1CCO[C@@H]2CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)C[C@@H]21 ZINC000332801086 489233092 /nfs/dbraw/zinc/23/30/92/489233092.db2.gz XLIZAWAGOJXQMM-DLBZAZTESA-N 2 0 353.511 0.127 10 0 FCAERP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000370535798 489371644 /nfs/dbraw/zinc/37/16/44/489371644.db2.gz MECPVFWJKDTYSP-QGZVFWFLSA-N 2 0 368.522 0.994 10 0 FCAERP C[NH+]1CCN(c2cc(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)ccn2)CC1 ZINC000370789511 489402128 /nfs/dbraw/zinc/40/21/28/489402128.db2.gz XDWXDAUMMNBTHX-GOSISDBHSA-N 2 0 373.501 0.817 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C[C@H]1c1cccc(F)c1 ZINC000570624865 491254116 /nfs/dbraw/zinc/25/41/16/491254116.db2.gz PLENQDDYOKKVKR-HRCADAONSA-N 2 0 358.421 0.909 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363179719 489434175 /nfs/dbraw/zinc/43/41/75/489434175.db2.gz PSADONJKHKDKTM-IAGOWNOFSA-N 2 0 355.527 0.422 10 0 FCAERP C[C@H]1CCCc2nc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn21 ZINC000563608662 491258073 /nfs/dbraw/zinc/25/80/73/491258073.db2.gz BQRSVRLLOUVAMP-AWEZNQCLSA-N 2 0 357.524 0.894 10 0 FCAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000423084566 489492313 /nfs/dbraw/zinc/49/23/13/489492313.db2.gz IJEJGBYTNGGABL-RDJZCZTQSA-N 2 0 350.507 0.907 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)o1 ZINC000423173534 489499507 /nfs/dbraw/zinc/49/95/07/489499507.db2.gz ZCNOKHLEAUCGRG-IYBDPMFKSA-N 2 0 362.474 0.831 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000423225408 489505125 /nfs/dbraw/zinc/50/51/25/489505125.db2.gz MQWNTHQHFMPDOV-JKSUJKDBSA-N 2 0 352.479 0.040 10 0 FCAERP Cc1cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)ccc1OCC[NH+](C)C ZINC000415617512 489537671 /nfs/dbraw/zinc/53/76/71/489537671.db2.gz QPRRTXWJCIRSTR-CJNGLKHVSA-N 2 0 362.474 0.988 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)c2)CC1 ZINC000415650154 489539490 /nfs/dbraw/zinc/53/94/90/489539490.db2.gz FIBCMWMWAPIUQM-YJBOKZPZSA-N 2 0 373.501 0.881 10 0 FCAERP CNC(=O)C[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000455456221 489592752 /nfs/dbraw/zinc/59/27/52/489592752.db2.gz FEQOMBDNODUPBT-HNNXBMFYSA-N 2 0 353.511 0.761 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000570798963 491265375 /nfs/dbraw/zinc/26/53/75/491265375.db2.gz LNNYZLJEWQAFEP-INIZCTEOSA-N 2 0 364.494 0.822 10 0 FCAERP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000457641331 489652226 /nfs/dbraw/zinc/65/22/26/489652226.db2.gz SFZAEFWBVLMOTI-KRWDZBQOSA-N 2 0 355.527 0.158 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417435715 489653279 /nfs/dbraw/zinc/65/32/79/489653279.db2.gz ZCGQQHMUGMNHEO-QFBILLFUSA-N 2 0 365.522 0.714 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000417476189 489655840 /nfs/dbraw/zinc/65/58/40/489655840.db2.gz PZXLPAOAPZLNJH-YOEHRIQHSA-N 2 0 361.490 0.775 10 0 FCAERP [NH3+][C@H](CNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000418453355 489698771 /nfs/dbraw/zinc/69/87/71/489698771.db2.gz OZQZDBASZWUUNH-JQHSSLGASA-N 2 0 373.501 0.976 10 0 FCAERP [NH3+][C@@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000418450713 489698905 /nfs/dbraw/zinc/69/89/05/489698905.db2.gz LWQDXENSHLQLAO-KBPBESRZSA-N 2 0 359.396 0.822 10 0 FCAERP OCC[C@H]1CSCC[NH+]1CCOCC[N@H+]1CCSC[C@@H]1CCO ZINC000489324023 489706063 /nfs/dbraw/zinc/70/60/63/489706063.db2.gz FUEHFOZTAKMFDT-HOTGVXAUSA-N 2 0 364.577 0.603 10 0 FCAERP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000418796543 489729229 /nfs/dbraw/zinc/72/92/29/489729229.db2.gz DUHPMKWTMURAEM-CYBMUJFWSA-N 2 0 368.428 0.723 10 0 FCAERP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000418797554 489729525 /nfs/dbraw/zinc/72/95/25/489729525.db2.gz GCNDHTQWGGXIOQ-CYBMUJFWSA-N 2 0 366.412 0.381 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418827854 489742290 /nfs/dbraw/zinc/74/22/90/489742290.db2.gz HJSKJCZVYREDOV-HZPDHXFCSA-N 2 0 366.506 0.252 10 0 FCAERP COc1ccc([C@@H](CNC(=O)C(=O)NCCC[NH3+])[NH+]2CCCCC2)cc1 ZINC000418831601 489744948 /nfs/dbraw/zinc/74/49/48/489744948.db2.gz LBKGUGGWJATMBE-QGZVFWFLSA-N 2 0 362.474 0.803 10 0 FCAERP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474383839 489759363 /nfs/dbraw/zinc/75/93/63/489759363.db2.gz LEOCYZNOUGSBHW-GTPINHCMSA-N 2 0 365.522 0.890 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418877909 489770671 /nfs/dbraw/zinc/77/06/71/489770671.db2.gz PXYJTVDEKRHSDA-QZTJIDSGSA-N 2 0 360.502 0.909 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418877910 489771128 /nfs/dbraw/zinc/77/11/28/489771128.db2.gz PXYJTVDEKRHSDA-ROUUACIJSA-N 2 0 360.502 0.909 10 0 FCAERP C[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490987838 489791772 /nfs/dbraw/zinc/79/17/72/489791772.db2.gz NITDQDVEIJCFCL-FGTMMUONSA-N 2 0 372.579 0.616 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000418939132 489797125 /nfs/dbraw/zinc/79/71/25/489797125.db2.gz QTFLIRMDZVRLOD-ZFWWWQNUSA-N 2 0 354.495 0.454 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000418956996 489803398 /nfs/dbraw/zinc/80/33/98/489803398.db2.gz CYXVSYBYJDAMTB-LSDHHAIUSA-N 2 0 350.438 0.890 10 0 FCAERP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)nc(C)n1 ZINC000419042805 489831292 /nfs/dbraw/zinc/83/12/92/489831292.db2.gz PSSSNMYRYCZXCW-INIZCTEOSA-N 2 0 374.489 0.437 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000419047038 489833287 /nfs/dbraw/zinc/83/32/87/489833287.db2.gz ZJXZIMRBTRHDGZ-ULQDDVLXSA-N 2 0 368.522 0.498 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420098069 489911498 /nfs/dbraw/zinc/91/14/98/489911498.db2.gz AMCHZIJLLANARJ-OQIJWPOYSA-N 2 0 370.497 0.691 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)o1 ZINC000420137477 489926457 /nfs/dbraw/zinc/92/64/57/489926457.db2.gz WWYXALQOJBULRM-CZUORRHYSA-N 2 0 350.463 0.592 10 0 FCAERP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000434721670 489952009 /nfs/dbraw/zinc/95/20/09/489952009.db2.gz ZBGDUNAHHSXFKZ-SWLSCSKDSA-N 2 0 364.446 0.049 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000420466623 489982329 /nfs/dbraw/zinc/98/23/29/489982329.db2.gz XCWIPYKYACYVRK-MLGOLLRUSA-N 2 0 357.524 0.667 10 0 FCAERP [NH3+]C[C@@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000479065627 490064616 /nfs/dbraw/zinc/06/46/16/490064616.db2.gz RRSZHAXRMYKOQC-DOTOQJQBSA-N 2 0 362.449 0.538 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000465843467 490147550 /nfs/dbraw/zinc/14/75/50/490147550.db2.gz VTSAJIWGNWGTAH-IRXDYDNUSA-N 2 0 363.506 0.585 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000465869883 490148651 /nfs/dbraw/zinc/14/86/51/490148651.db2.gz FTKJQSWURUNLCR-IAGOWNOFSA-N 2 0 356.511 0.849 10 0 FCAERP CC[NH+]1CCN(CC(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)CC1 ZINC000533005157 490157163 /nfs/dbraw/zinc/15/71/63/490157163.db2.gz JIGNDCQRDXQZJY-KRWDZBQOSA-N 2 0 360.506 0.798 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000465957515 490158332 /nfs/dbraw/zinc/15/83/32/490158332.db2.gz RMAPYXFCFLOARP-OWCLPIDISA-N 2 0 353.511 0.698 10 0 FCAERP C[C@@H]1CN(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000408010075 490203973 /nfs/dbraw/zinc/20/39/73/490203973.db2.gz NDFWBBFAYVBUBO-GASCZTMLSA-N 2 0 362.540 0.298 10 0 FCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000408370650 490317721 /nfs/dbraw/zinc/31/77/21/490317721.db2.gz NYUVDGUHCHSIEG-ZBFHGGJFSA-N 2 0 374.489 0.783 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000448524095 490360770 /nfs/dbraw/zinc/36/07/70/490360770.db2.gz DTMHIDIODVZYCB-ULQDDVLXSA-N 2 0 367.538 0.946 10 0 FCAERP C[NH+]1CCN(c2cc(CNC(=O)NCCNc3cc[nH+]cc3)ccn2)CC1 ZINC000534525023 490375265 /nfs/dbraw/zinc/37/52/65/490375265.db2.gz QXKIEDPJZILYTN-UHFFFAOYSA-N 2 0 369.473 0.562 10 0 FCAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000571671329 491322258 /nfs/dbraw/zinc/32/22/58/491322258.db2.gz BCLQPJDQKMHUPI-LJQANCHMSA-N 2 0 361.534 0.767 10 0 FCAERP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)CC2)nc1 ZINC000422718487 490464691 /nfs/dbraw/zinc/46/46/91/490464691.db2.gz PUJKXQYLSZQGCN-MOPGFXCFSA-N 2 0 374.533 0.735 10 0 FCAERP Cn1cc(C[C@H](O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000468969421 490471451 /nfs/dbraw/zinc/47/14/51/490471451.db2.gz MWIRPQALGDCKAQ-SFHVURJKSA-N 2 0 372.473 0.047 10 0 FCAERP [NH3+]C1CCC(OCC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000571794428 491329658 /nfs/dbraw/zinc/32/96/58/491329658.db2.gz PCHSKUMAQKGUIZ-VXLLPVPCSA-N 2 0 366.506 0.380 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000422961824 490505903 /nfs/dbraw/zinc/50/59/03/490505903.db2.gz BCMKQOIUQCJCEQ-IYBDPMFKSA-N 2 0 350.507 0.825 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423060449 490533083 /nfs/dbraw/zinc/53/30/83/490533083.db2.gz OKPLGZBTKDQBHQ-GHTZIAJQSA-N 2 0 370.497 0.931 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511967641 490645011 /nfs/dbraw/zinc/64/50/11/490645011.db2.gz OCWOWXBXBNEQRU-RDHHWEPZSA-N 2 0 350.507 0.918 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511982326 490647455 /nfs/dbraw/zinc/64/74/55/490647455.db2.gz LIDZMOGNNSBAEV-GTPINHCMSA-N 2 0 350.507 0.920 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000550464821 490671706 /nfs/dbraw/zinc/67/17/06/490671706.db2.gz OEMKERVRYBNOKU-KRWDZBQOSA-N 2 0 368.522 0.452 10 0 FCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000565002030 491345441 /nfs/dbraw/zinc/34/54/41/491345441.db2.gz PGHKQLFQJDDWOV-VYDXJSESSA-N 2 0 350.438 0.568 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000526967666 490689116 /nfs/dbraw/zinc/68/91/16/490689116.db2.gz LXACFSXYIMJKPX-OAHLLOKOSA-N 2 0 350.463 0.961 10 0 FCAERP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000565044063 491347398 /nfs/dbraw/zinc/34/73/98/491347398.db2.gz MJJOKCDSKPZZLP-VQIMIIECSA-N 2 0 364.534 0.948 10 0 FCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000514850724 490792786 /nfs/dbraw/zinc/79/27/86/490792786.db2.gz DQZJQLGKVVCGFU-MRXNPFEDSA-N 2 0 354.495 0.015 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000514933714 490798647 /nfs/dbraw/zinc/79/86/47/490798647.db2.gz WEIAQTWLYSRGGB-BBRMVZONSA-N 2 0 368.428 0.268 10 0 FCAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529312924 490850461 /nfs/dbraw/zinc/85/04/61/490850461.db2.gz JKOPPZQOYQJZRJ-JKSUJKDBSA-N 2 0 366.510 0.212 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000529328143 490852823 /nfs/dbraw/zinc/85/28/23/490852823.db2.gz DVMLJZDOGSDIBB-UHFFFAOYSA-N 2 0 353.511 0.178 10 0 FCAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000529331549 490854025 /nfs/dbraw/zinc/85/40/25/490854025.db2.gz AIARCLNXUGVRCP-HNNXBMFYSA-N 2 0 374.489 0.559 10 0 FCAERP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1=O ZINC000529721443 490866642 /nfs/dbraw/zinc/86/66/42/490866642.db2.gz WABWAQVUTSIMOT-DOTOQJQBSA-N 2 0 350.507 0.920 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516555981 490868181 /nfs/dbraw/zinc/86/81/81/490868181.db2.gz VOZYWEHDZQZEFK-UHFFFAOYSA-N 2 0 350.507 0.666 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000519535455 490974910 /nfs/dbraw/zinc/97/49/10/490974910.db2.gz AGAKXBIRKVSQJR-OAGGEKHMSA-N 2 0 354.495 0.284 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000519553252 490976090 /nfs/dbraw/zinc/97/60/90/490976090.db2.gz UPVBFAMRODNZRB-QGZVFWFLSA-N 2 0 366.506 0.300 10 0 FCAERP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000614068789 492013158 /nfs/dbraw/zinc/01/31/58/492013158.db2.gz PKWLHMDYWMYGKD-PMACEKPBSA-N 2 0 361.486 0.539 10 0 FCAERP COC[C@@]1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)OCCc2ccccc21 ZINC000569568411 491169019 /nfs/dbraw/zinc/16/90/19/491169019.db2.gz CRWIDGMTMDMYJZ-AZUAARDMSA-N 2 0 363.502 0.299 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)CC1 ZINC000569597304 491172404 /nfs/dbraw/zinc/17/24/04/491172404.db2.gz OXTJWYVDWMAARO-ZWKOTPCHSA-N 2 0 355.523 0.142 10 0 FCAERP CC[N@H+](CCNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000557380685 491370832 /nfs/dbraw/zinc/37/08/32/491370832.db2.gz HLUCNFGNFKGFDW-UHFFFAOYSA-N 2 0 350.507 0.921 10 0 FCAERP CN(C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000557479982 491376920 /nfs/dbraw/zinc/37/69/20/491376920.db2.gz IUAYHMMINLEDFV-INIZCTEOSA-N 2 0 350.507 0.920 10 0 FCAERP C[NH+]1CCN(c2cc(C(=O)N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)ccn2)CC1 ZINC000566012873 491412508 /nfs/dbraw/zinc/41/25/08/491412508.db2.gz WRMRFISLNKBEAO-MJGOQNOKSA-N 2 0 373.501 0.802 10 0 FCAERP C[NH+](C)Cc1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000558351881 491426919 /nfs/dbraw/zinc/42/69/19/491426919.db2.gz QLNVTYPXBSCADX-UHFFFAOYSA-N 2 0 361.490 0.865 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000558442655 491431284 /nfs/dbraw/zinc/43/12/84/491431284.db2.gz MRQSBFBBTFHAOC-RHSMWYFYSA-N 2 0 350.507 0.918 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000566296347 491433546 /nfs/dbraw/zinc/43/35/46/491433546.db2.gz HPMNUTHICOVPNX-SJORKVTESA-N 2 0 362.474 0.372 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000566350664 491438825 /nfs/dbraw/zinc/43/88/25/491438825.db2.gz JPDNXOJUSGHDIB-HNNXBMFYSA-N 2 0 354.495 0.156 10 0 FCAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000566601721 491455850 /nfs/dbraw/zinc/45/58/50/491455850.db2.gz RDOWZVNSESPGQX-CALCHBBNSA-N 2 0 356.470 0.923 10 0 FCAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566845862 491470512 /nfs/dbraw/zinc/47/05/12/491470512.db2.gz CSRZIJXLIPPRAV-HNAYVOBHSA-N 2 0 350.507 0.825 10 0 FCAERP COC[C@]1(CNC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCC[NH2+]1 ZINC000574142693 491476654 /nfs/dbraw/zinc/47/66/54/491476654.db2.gz NSKHIXORUKLRDW-IEBWSBKVSA-N 2 0 367.538 0.567 10 0 FCAERP COC[C@]1(CNC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCC[NH2+]1 ZINC000574142695 491476972 /nfs/dbraw/zinc/47/69/72/491476972.db2.gz NSKHIXORUKLRDW-PKOBYXMFSA-N 2 0 367.538 0.567 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000566979266 491478889 /nfs/dbraw/zinc/47/88/89/491478889.db2.gz BOOGHFNKQUTHDM-OAHLLOKOSA-N 2 0 354.495 0.014 10 0 FCAERP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000567148853 491488794 /nfs/dbraw/zinc/48/87/94/491488794.db2.gz ZDIHPUCOCCNIIS-UHFFFAOYSA-N 2 0 367.538 0.960 10 0 FCAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000574332908 491489732 /nfs/dbraw/zinc/48/97/32/491489732.db2.gz XKRYUDFRJAOMLA-KRWDZBQOSA-N 2 0 369.554 0.670 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3C[NH2+]CCO3)cn2)CC1 ZINC000574426127 491495244 /nfs/dbraw/zinc/49/52/44/491495244.db2.gz NEDYURUJGBSDBS-MRXNPFEDSA-N 2 0 362.478 0.011 10 0 FCAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000559830437 491502831 /nfs/dbraw/zinc/50/28/31/491502831.db2.gz FFXGDVRAVXZNRE-IRXDYDNUSA-N 2 0 366.506 0.158 10 0 FCAERP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668397886 493347144 /nfs/dbraw/zinc/34/71/44/493347144.db2.gz QXDWWZFEODAHTD-KRWDZBQOSA-N 2 0 366.506 0.036 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000560117751 491520279 /nfs/dbraw/zinc/52/02/79/491520279.db2.gz WYBFUVWWERRBLS-INIZCTEOSA-N 2 0 351.495 0.419 10 0 FCAERP CCC(CC)[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)N1CCOCC1 ZINC000567679477 491522526 /nfs/dbraw/zinc/52/25/26/491522526.db2.gz YOJCHQWPLPESBU-RBUKOAKNSA-N 2 0 356.555 0.321 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(CN3CCOCC3)CCCCC2)CC1 ZINC000567684897 491523024 /nfs/dbraw/zinc/52/30/24/491523024.db2.gz QIIFPYULYYHWFI-IBGZPJMESA-N 2 0 368.566 0.467 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000575138822 491541545 /nfs/dbraw/zinc/54/15/45/491541545.db2.gz NRQDGYJITQPWQD-MRXNPFEDSA-N 2 0 368.522 0.450 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C[C@@H]1C ZINC000568093451 491552790 /nfs/dbraw/zinc/55/27/90/491552790.db2.gz SKZNDSHGYYXEPS-RDJZCZTQSA-N 2 0 368.522 0.545 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000560870872 491560925 /nfs/dbraw/zinc/56/09/25/491560925.db2.gz QXEWXBMOXDICNN-CQSZACIVSA-N 2 0 355.866 0.809 10 0 FCAERP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000568389982 491573627 /nfs/dbraw/zinc/57/36/27/491573627.db2.gz LUTGURIIAZCPCE-FDQIELQPSA-N 2 0 351.491 0.874 10 0 FCAERP CC[NH+]1CCN(c2ccccc2NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000568516926 491582291 /nfs/dbraw/zinc/58/22/91/491582291.db2.gz TUHYIKNWKRXUHP-MRXNPFEDSA-N 2 0 359.474 0.635 10 0 FCAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000561239573 491588407 /nfs/dbraw/zinc/58/84/07/491588407.db2.gz YKNPFCYAKYXZSO-VQIMIIECSA-N 2 0 350.507 0.969 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000576173813 491589251 /nfs/dbraw/zinc/58/92/51/491589251.db2.gz BLWLWCDRIZVEID-HUUCEWRRSA-N 2 0 353.511 0.746 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000576173811 491589307 /nfs/dbraw/zinc/58/93/07/491589307.db2.gz BLWLWCDRIZVEID-CABCVRRESA-N 2 0 353.511 0.746 10 0 FCAERP O=C(CN1CCC[C@H]([NH+]2CCOCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000660473943 493354917 /nfs/dbraw/zinc/35/49/17/493354917.db2.gz WMKQWIMENPLDCP-SFHVURJKSA-N 2 0 364.534 0.916 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000568823640 491612403 /nfs/dbraw/zinc/61/24/03/491612403.db2.gz BXIYXABVRDXTET-UHFFFAOYSA-N 2 0 374.533 0.300 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000561880954 491638007 /nfs/dbraw/zinc/63/80/07/491638007.db2.gz DCGZBWDOKCHHMW-ZBFHGGJFSA-N 2 0 350.507 0.966 10 0 FCAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000578251453 491673367 /nfs/dbraw/zinc/67/33/67/491673367.db2.gz AACROZAIDFPTQJ-CVEARBPZSA-N 2 0 354.495 0.204 10 0 FCAERP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000578315927 491674518 /nfs/dbraw/zinc/67/45/18/491674518.db2.gz GJUJRILEVHDCSA-MRXNPFEDSA-N 2 0 365.474 0.771 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000578347605 491675385 /nfs/dbraw/zinc/67/53/85/491675385.db2.gz FOFQKKUMFLBUHH-JCYILVPMSA-N 2 0 350.507 0.920 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000578627028 491681250 /nfs/dbraw/zinc/68/12/50/491681250.db2.gz JSBVCGYBSQDHEJ-QGZVFWFLSA-N 2 0 362.474 0.156 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000578741024 491683358 /nfs/dbraw/zinc/68/33/58/491683358.db2.gz BLVWMNCCQSPXCL-IRXDYDNUSA-N 2 0 366.893 0.643 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000579266583 491694445 /nfs/dbraw/zinc/69/44/45/491694445.db2.gz MVNJPTDLBLAQFH-IRXDYDNUSA-N 2 0 366.506 0.300 10 0 FCAERP CCNC(=O)CN1CCCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000579475197 491698572 /nfs/dbraw/zinc/69/85/72/491698572.db2.gz UHMCWUSOOXHPSF-IDHHARJASA-N 2 0 366.506 0.189 10 0 FCAERP C[C@@H]1COCC[N@@H+]1C1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000579609214 491701528 /nfs/dbraw/zinc/70/15/28/491701528.db2.gz QITJKUZKYYGLFY-MRXNPFEDSA-N 2 0 364.534 0.915 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000579766072 491705053 /nfs/dbraw/zinc/70/50/53/491705053.db2.gz HBKCKVBQFOVSCQ-QGZVFWFLSA-N 2 0 361.490 0.601 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)[C@H](C)C1 ZINC000584865994 491717974 /nfs/dbraw/zinc/71/79/74/491717974.db2.gz LMRLGSUPVNTDRJ-INMHGKMJSA-N 2 0 350.507 0.942 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000580769465 491744790 /nfs/dbraw/zinc/74/47/90/491744790.db2.gz QUDOZPHLIDKMPC-VQIMIIECSA-N 2 0 350.482 0.850 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000580963476 491753674 /nfs/dbraw/zinc/75/36/74/491753674.db2.gz ONAKNUBSIDYVBJ-INIZCTEOSA-N 2 0 351.495 0.513 10 0 FCAERP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581181286 491762509 /nfs/dbraw/zinc/76/25/09/491762509.db2.gz KCOBSYFUFCJPSO-WIYYLYMNSA-N 2 0 370.497 0.979 10 0 FCAERP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000582020342 491794582 /nfs/dbraw/zinc/79/45/82/491794582.db2.gz FLMXMANKYCAFGB-INIZCTEOSA-N 2 0 364.490 0.054 10 0 FCAERP C[NH+]1CCN(c2cc(CNC(=O)COC3CCC([NH3+])CC3)ccn2)CC1 ZINC000583562538 491847529 /nfs/dbraw/zinc/84/75/29/491847529.db2.gz YDIKROKNOPWFPV-UHFFFAOYSA-N 2 0 361.490 0.736 10 0 FCAERP C[C@@H](NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1=CC[N@H+](C)CC1 ZINC000611758891 491872814 /nfs/dbraw/zinc/87/28/14/491872814.db2.gz MTNSVDNIYGRIKL-NVXWUHKLSA-N 2 0 366.506 0.322 10 0 FCAERP COC(=O)CCN1CCC[C@H]([NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1=O 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FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000652689589 492991178 /nfs/dbraw/zinc/99/11/78/492991178.db2.gz WSLRQDQHXXGDSK-UHFFFAOYSA-N 2 0 368.522 0.452 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000652694104 492992793 /nfs/dbraw/zinc/99/27/93/492992793.db2.gz OUEYVHXRYFWRIB-BRWVUGGUSA-N 2 0 362.474 0.228 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000658659521 492994199 /nfs/dbraw/zinc/99/41/99/492994199.db2.gz JAOWYKFOADKNAL-SJORKVTESA-N 2 0 368.522 0.356 10 0 FCAERP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@]3([NH3+])[C@H]4CCCO[C@@H]4C3(C)C)C2)CC1 ZINC000645978176 492995334 /nfs/dbraw/zinc/99/53/34/492995334.db2.gz WCIRWUNJDPNZBT-JWWIWJDOSA-N 2 0 364.534 0.804 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000632487434 493007402 /nfs/dbraw/zinc/00/74/02/493007402.db2.gz KIDHQHJPBQKXLD-MRXNPFEDSA-N 2 0 370.444 0.904 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N(CC)CCC[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000652730444 493008573 /nfs/dbraw/zinc/00/85/73/493008573.db2.gz ZTSYIRNEIANLCC-HZPDHXFCSA-N 2 0 354.495 0.143 10 0 FCAERP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000652731266 493009307 /nfs/dbraw/zinc/00/93/07/493009307.db2.gz GHIGDLIEYYTFPG-KRWDZBQOSA-N 2 0 359.474 0.499 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1=O ZINC000652735985 493012167 /nfs/dbraw/zinc/01/21/67/493012167.db2.gz ZGNKQOSRKBWSDV-SFHVURJKSA-N 2 0 373.501 0.526 10 0 FCAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626794516 493020714 /nfs/dbraw/zinc/02/07/14/493020714.db2.gz NUJCYJQXUVVVHP-CYBMUJFWSA-N 2 0 358.442 0.708 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626801116 493021543 /nfs/dbraw/zinc/02/15/43/493021543.db2.gz ZYQNIKLPYREGRE-CQSZACIVSA-N 2 0 360.458 0.954 10 0 FCAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626809093 493023845 /nfs/dbraw/zinc/02/38/45/493023845.db2.gz BYDYGUMUVMMNEP-BLLLJJGKSA-N 2 0 358.442 0.706 10 0 FCAERP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C[N@@H+]1C1CC1 ZINC000626809163 493023995 /nfs/dbraw/zinc/02/39/95/493023995.db2.gz SBLXFNAPDQDTNE-SWLSCSKDSA-N 2 0 358.442 0.849 10 0 FCAERP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1=O ZINC000646239878 493032305 /nfs/dbraw/zinc/03/23/05/493032305.db2.gz LYBNAPVGWQGPID-JYJNAYRXSA-N 2 0 354.495 0.012 10 0 FCAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000658751981 493041366 /nfs/dbraw/zinc/04/13/66/493041366.db2.gz SVHYGBDEXGVYLE-IAGOWNOFSA-N 2 0 368.522 0.497 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000626909509 493059784 /nfs/dbraw/zinc/05/97/84/493059784.db2.gz MKISQTYDLQJGJL-SWLSCSKDSA-N 2 0 361.446 0.382 10 0 FCAERP CCN(C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658804491 493061642 /nfs/dbraw/zinc/06/16/42/493061642.db2.gz WXSAPIZGXCWSAZ-IAGOWNOFSA-N 2 0 366.506 0.110 10 0 FCAERP CC[NH+](CC)CCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626918989 493062663 /nfs/dbraw/zinc/06/26/63/493062663.db2.gz UZICVEAANYPKLH-UHFFFAOYSA-N 2 0 354.499 0.071 10 0 FCAERP CCN(C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000658805370 493062906 /nfs/dbraw/zinc/06/29/06/493062906.db2.gz WXSAPIZGXCWSAZ-IRXDYDNUSA-N 2 0 366.506 0.110 10 0 FCAERP CCC(CC)[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)[NH+]1CCOCC1 ZINC000626929802 493065944 /nfs/dbraw/zinc/06/59/44/493065944.db2.gz RAXQTMLJEDLZSA-INIZCTEOSA-N 2 0 356.511 0.931 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000658820960 493068464 /nfs/dbraw/zinc/06/84/64/493068464.db2.gz HWWHVJNKQICRGG-ULQDDVLXSA-N 2 0 350.507 0.872 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000658820959 493068635 /nfs/dbraw/zinc/06/86/35/493068635.db2.gz HWWHVJNKQICRGG-IXDOHACOSA-N 2 0 350.507 0.872 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646639178 493076605 /nfs/dbraw/zinc/07/66/05/493076605.db2.gz HELIMJYOSOCSAO-SJORKVTESA-N 2 0 350.507 0.921 10 0 FCAERP C[C@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C(C)(C)C[NH+](C)C ZINC000626996953 493077606 /nfs/dbraw/zinc/07/76/06/493077606.db2.gz KDBPNGPMBHGIFH-HNNXBMFYSA-N 2 0 368.526 0.315 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[NH2+]1 ZINC000627035026 493083198 /nfs/dbraw/zinc/08/31/98/493083198.db2.gz SUADAJGRZUKVGM-YZDRTPDPSA-N 2 0 351.495 0.510 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCCOCCC[NH3+])cc1F ZINC000627114610 493090238 /nfs/dbraw/zinc/09/02/38/493090238.db2.gz HYRNKUFADHYORM-HOCLYGCPSA-N 2 0 368.453 0.944 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cn2)CC1 ZINC000633003703 493101694 /nfs/dbraw/zinc/10/16/94/493101694.db2.gz TWWFJKBGNRXRRP-LJQANCHMSA-N 2 0 374.489 0.690 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CCC(CC[NH3+])CC3)cn2)CC1 ZINC000633009448 493102556 /nfs/dbraw/zinc/10/25/56/493102556.db2.gz SQHYVOBMUAEGOQ-UHFFFAOYSA-N 2 0 362.478 0.676 10 0 FCAERP O=C(Nc1ccc2nccn2c1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658902813 493106581 /nfs/dbraw/zinc/10/65/81/493106581.db2.gz GBWLSNYKOZJTSA-HNNXBMFYSA-N 2 0 357.414 0.330 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C[NH2+]1 ZINC000627205589 493107362 /nfs/dbraw/zinc/10/73/62/493107362.db2.gz CBPSCTQPJCBERP-WCVJEAGWSA-N 2 0 351.495 0.417 10 0 FCAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000627226866 493110879 /nfs/dbraw/zinc/11/08/79/493110879.db2.gz SXLRMVJYKSYUTM-PMPSAXMXSA-N 2 0 351.495 0.370 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000633083409 493117811 /nfs/dbraw/zinc/11/78/11/493117811.db2.gz UXRWNLILCRISMU-UKRRQHHQSA-N 2 0 350.463 0.531 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000653402294 493122348 /nfs/dbraw/zinc/12/23/48/493122348.db2.gz UKQUXWBTUMDKJY-UHFFFAOYSA-N 2 0 369.554 0.223 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C[C@H]1C[NH3+] ZINC000633103998 493127209 /nfs/dbraw/zinc/12/72/09/493127209.db2.gz XRRJWBQXQUDTPD-UKRRQHHQSA-N 2 0 352.504 0.692 10 0 FCAERP [NH3+]C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C(F)(F)F ZINC000659025260 493127413 /nfs/dbraw/zinc/12/74/13/493127413.db2.gz PMKFYYQOQHUAHA-KBPBESRZSA-N 2 0 360.380 0.942 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000633108925 493130032 /nfs/dbraw/zinc/13/00/32/493130032.db2.gz ISDANBPSHNHUTG-HUUCEWRRSA-N 2 0 354.470 0.751 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)[NH+](C)C)c1 ZINC000627291777 493135821 /nfs/dbraw/zinc/13/58/21/493135821.db2.gz DPRKKWDMSPKMCB-KMFMINBZSA-N 2 0 362.474 0.671 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)[NH+](C)C)c1 ZINC000627291780 493135947 /nfs/dbraw/zinc/13/59/47/493135947.db2.gz DPRKKWDMSPKMCB-UNEWFSDZSA-N 2 0 362.474 0.671 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)[C@H]1c1ccccc1 ZINC000627297608 493140437 /nfs/dbraw/zinc/14/04/37/493140437.db2.gz OFNVRHUKKUOEKF-JKSUJKDBSA-N 2 0 360.458 0.172 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659076253 493141277 /nfs/dbraw/zinc/14/12/77/493141277.db2.gz KMPOZKMUYTUFBH-XWIAVFTESA-N 2 0 372.469 0.885 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659079284 493143274 /nfs/dbraw/zinc/14/32/74/493143274.db2.gz MMDJWQBYZDHVOQ-IRXDYDNUSA-N 2 0 360.458 0.887 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[NH2+]1 ZINC000627305037 493143275 /nfs/dbraw/zinc/14/32/75/493143275.db2.gz MHRNVHOIJBAWSD-SWLSCSKDSA-N 2 0 350.438 0.760 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000627306422 493144178 /nfs/dbraw/zinc/14/41/78/493144178.db2.gz YVCSXUDOXRTEOT-VVLHAWIVSA-N 2 0 366.506 0.127 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627314891 493148396 /nfs/dbraw/zinc/14/83/96/493148396.db2.gz PSJKAJODQJHBHF-HOCLYGCPSA-N 2 0 354.495 0.249 10 0 FCAERP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)CC(C)C ZINC000627325065 493153749 /nfs/dbraw/zinc/15/37/49/493153749.db2.gz XICHBZAFZQBATG-OAHLLOKOSA-N 2 0 356.511 0.483 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C[NH2+]1 ZINC000627325822 493154611 /nfs/dbraw/zinc/15/46/11/493154611.db2.gz VNPFXXXEFLCMAB-HOCLYGCPSA-N 2 0 362.474 0.500 10 0 FCAERP Cc1cc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1OCC[NH+](C)C ZINC000659109614 493157692 /nfs/dbraw/zinc/15/76/92/493157692.db2.gz JMNRMOMNLRDMII-HUUCEWRRSA-N 2 0 366.437 0.772 10 0 FCAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627333191 493157943 /nfs/dbraw/zinc/15/79/43/493157943.db2.gz WXZNHXGPYHAAPK-ZYSHUDEJSA-N 2 0 350.507 0.681 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[NH2+]1 ZINC000627354089 493172121 /nfs/dbraw/zinc/17/21/21/493172121.db2.gz SIAQIPFXQYZTOS-PBHICJAKSA-N 2 0 358.486 0.459 10 0 FCAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627362924 493179196 /nfs/dbraw/zinc/17/91/96/493179196.db2.gz ARYCRQZNSWGTMV-HNNXBMFYSA-N 2 0 354.495 0.381 10 0 FCAERP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000627387952 493195978 /nfs/dbraw/zinc/19/59/78/493195978.db2.gz GBUJWJRXPAUBOO-KRWDZBQOSA-N 2 0 358.486 0.808 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000627388098 493196329 /nfs/dbraw/zinc/19/63/29/493196329.db2.gz KUMPHUZLGVVMEF-NVXWUHKLSA-N 2 0 362.474 0.247 10 0 FCAERP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000659347542 493197041 /nfs/dbraw/zinc/19/70/41/493197041.db2.gz FUZDKKBNQQJRIJ-BRWVUGGUSA-N 2 0 354.458 0.906 10 0 FCAERP COCC1(CNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[NH2+]CC1 ZINC000659539772 493209106 /nfs/dbraw/zinc/20/91/06/493209106.db2.gz LSCSAVGCPHDZDF-INIZCTEOSA-N 2 0 356.511 0.755 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1F ZINC000659555199 493211396 /nfs/dbraw/zinc/21/13/96/493211396.db2.gz PBDMLRCRUTUECL-DZKIICNBSA-N 2 0 366.437 0.567 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000627425720 493213678 /nfs/dbraw/zinc/21/36/78/493213678.db2.gz XXWSLGKSQZXWAJ-XQLPTFJDSA-N 2 0 352.479 0.001 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000659619952 493221619 /nfs/dbraw/zinc/22/16/19/493221619.db2.gz WLMPMJVKUBIDJO-XHSDSOJGSA-N 2 0 353.511 0.650 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000659626466 493221840 /nfs/dbraw/zinc/22/18/40/493221840.db2.gz IVZJJMIPHBUADQ-GDBMZVCRSA-N 2 0 353.511 0.888 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666765521 493223684 /nfs/dbraw/zinc/22/36/84/493223684.db2.gz BNEOFYVYAPNRFL-GOSISDBHSA-N 2 0 373.501 0.712 10 0 FCAERP COc1cccc([C@@H](CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[NH+](C)C)c1 ZINC000659674677 493245187 /nfs/dbraw/zinc/24/51/87/493245187.db2.gz NVQSGLZGGYQQIL-ZHTDJMBKSA-N 2 0 360.458 0.364 10 0 FCAERP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000666979087 493245673 /nfs/dbraw/zinc/24/56/73/493245673.db2.gz LPJGIYXWIIVEMS-HLLBOEOZSA-N 2 0 354.495 0.336 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659695450 493257712 /nfs/dbraw/zinc/25/77/12/493257712.db2.gz XRQHVNOLTAPKCF-QGPMSJSTSA-N 2 0 362.518 0.824 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000659698457 493259215 /nfs/dbraw/zinc/25/92/15/493259215.db2.gz NOOLBCWIKDGNAY-CMVHYPBASA-N 2 0 356.470 0.889 10 0 FCAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659703524 493263086 /nfs/dbraw/zinc/26/30/86/493263086.db2.gz 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ZINC000673174251 493298231 /nfs/dbraw/zinc/29/82/31/493298231.db2.gz NEIHXAALZCENNC-BPQIPLTHSA-N 2 0 358.486 0.834 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCN(C2CC2)C1=O ZINC000667812227 493303188 /nfs/dbraw/zinc/30/31/88/493303188.db2.gz HMLFQYYZCPPGKV-KRWDZBQOSA-N 2 0 365.522 0.761 10 0 FCAERP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000673351293 493319963 /nfs/dbraw/zinc/31/99/63/493319963.db2.gz NLTJMXIVIUFOIZ-IAGOWNOFSA-N 2 0 362.474 0.242 10 0 FCAERP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000673351294 493320180 /nfs/dbraw/zinc/32/01/80/493320180.db2.gz NLTJMXIVIUFOIZ-IRXDYDNUSA-N 2 0 362.474 0.242 10 0 FCAERP COCC[N@H+](C)CCCC1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000660159666 493330890 /nfs/dbraw/zinc/33/08/90/493330890.db2.gz WPOXGOUGYDLOIH-UHFFFAOYSA-N 2 0 354.495 0.951 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](Cn3ccnn3)C2)C1 ZINC000661146372 493412892 /nfs/dbraw/zinc/41/28/92/493412892.db2.gz 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/nfs/dbraw/zinc/52/24/12/493522412.db2.gz MQCJDWZCBXABEC-BBRMVZONSA-N 2 0 354.414 0.949 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)cn1 ZINC000676089362 493522558 /nfs/dbraw/zinc/52/25/58/493522558.db2.gz ZZCCMBZJNQFKMV-UHFFFAOYSA-N 2 0 364.494 0.764 10 0 FCAERP COc1cccc([C@H]2[C@@H](NC(=O)c3cn(CC[NH3+])nn3)CC[N@@H+]2C2CC2)c1 ZINC000662514569 493523116 /nfs/dbraw/zinc/52/31/16/493523116.db2.gz OVVKWBVVRBFPEP-WMZOPIPTSA-N 2 0 370.457 0.953 10 0 FCAERP C[C@@H]1C[NH+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@@H](C)O1 ZINC000662670457 493530807 /nfs/dbraw/zinc/53/08/07/493530807.db2.gz FSFAPYDNLSLTFO-BZUAXINKSA-N 2 0 364.494 0.822 10 0 FCAERP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662749511 493537254 /nfs/dbraw/zinc/53/72/54/493537254.db2.gz IXGVJKPOQQJYBZ-HUUCEWRRSA-N 2 0 352.483 0.679 10 0 FCAERP C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)[C@@H]1C[NH3+] ZINC000662957233 493560663 /nfs/dbraw/zinc/56/06/63/493560663.db2.gz 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ZINC000550833123 547110387 /nfs/dbraw/zinc/11/03/87/547110387.db2.gz SPHQXKMWCBNHOL-MPGHIAIKSA-N 2 0 370.563 0.729 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000552278854 547197965 /nfs/dbraw/zinc/19/79/65/547197965.db2.gz KQVIIPVRDHVMRY-MRXNPFEDSA-N 2 0 354.495 0.062 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000553278160 547266244 /nfs/dbraw/zinc/26/62/44/547266244.db2.gz JOHOYKHFICQSNW-JKSUJKDBSA-N 2 0 354.495 0.156 10 0 FCAERP C[N@@H+]1CCC[C@@](O)(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000899957104 665968801 /nfs/dbraw/zinc/96/88/01/665968801.db2.gz HLOHIJMWFQGPKP-LJQANCHMSA-N 2 0 353.507 0.985 10 0 FCAERP CCOC(=O)C1([C@H](C)[NH2+]CC2(S(=O)(=O)N(C)C)CC2)CC[NH2+]CC1 ZINC000925773603 664475468 /nfs/dbraw/zinc/47/54/68/664475468.db2.gz DZUCXKKRCQCYRB-ZDUSSCGKSA-N 2 0 361.508 0.321 10 0 FCAERP COC(=O)[C@@H]1[C@@H](C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1(F)F ZINC000894987490 664995415 /nfs/dbraw/zinc/99/54/15/664995415.db2.gz SVMJXVIFYPTADN-KGLIPLIRSA-N 2 0 361.433 0.427 10 0 FCAERP C[C@@H]1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000897263199 665157737 /nfs/dbraw/zinc/15/77/37/665157737.db2.gz GCPIGURAZJZKSC-BPQIPLTHSA-N 2 0 350.507 0.192 10 0 FCAERP COC(=O)[C@H]1CN(C(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)CC[N@H+](C)C1 ZINC000925166277 665175793 /nfs/dbraw/zinc/17/57/93/665175793.db2.gz ACMJTOICMFYISN-QLFBSQMISA-N 2 0 370.519 0.312 10 0 FCAERP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000916843889 667033540 /nfs/dbraw/zinc/03/35/40/667033540.db2.gz XTVXIGHFOPXKRH-KLHDSHLOSA-N 2 0 354.520 0.729 10 0 FCAERP CCO[C@@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+](C)C ZINC000918857369 667138214 /nfs/dbraw/zinc/13/82/14/667138214.db2.gz MYPQBSGRTSEYRQ-IRXDYDNUSA-N 2 0 356.511 0.896 10 0 FCAERP C[N@@H+]1CCN(CCNC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)CC1(C)C ZINC000922347349 667640768 /nfs/dbraw/zinc/64/07/68/667640768.db2.gz OWGCKBKZSQFFOT-JKSUJKDBSA-N 2 0 369.579 0.891 10 0 FCAERP C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)CC1(C)C ZINC000922347344 667640880 /nfs/dbraw/zinc/64/08/80/667640880.db2.gz OWGCKBKZSQFFOT-HZPDHXFCSA-N 2 0 369.579 0.891 10 0 FCAERP CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000922826722 667683692 /nfs/dbraw/zinc/68/36/92/667683692.db2.gz HQGJQQXVKBTXPZ-INIZCTEOSA-N 2 0 356.488 0.656 10 0 FCAERP CN(c1ccccc1C[NH2+]C[C@H](O)CS(C)(=O)=O)C1CC[NH+](C)CC1 ZINC000922821274 667684742 /nfs/dbraw/zinc/68/47/42/667684742.db2.gz JSNCGXCFJWENLA-KRWDZBQOSA-N 2 0 369.531 0.712 10 0 FCAERP C[NH2+]CC1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000923285200 667822219 /nfs/dbraw/zinc/82/22/19/667822219.db2.gz AMWUIOOJFYIYIM-HNNXBMFYSA-N 2 0 361.552 0.919 10 0 FCAERP C[C@@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000923376289 667829151 /nfs/dbraw/zinc/82/91/51/667829151.db2.gz KNVOZEWGEBVBMF-UKRRQHHQSA-N 2 0 353.488 0.966 10 0 FCAERP FC(F)Oc1ccc(-n2nnnc2CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923460153 667837855 /nfs/dbraw/zinc/83/78/55/667837855.db2.gz BEKAVUHIQCHMNP-UHFFFAOYSA-N 2 0 353.377 0.259 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000793704176 668943493 /nfs/dbraw/zinc/94/34/93/668943493.db2.gz XUKTYTSYVUWMJL-CVEARBPZSA-N 2 0 354.495 0.204 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000819071809 668976370 /nfs/dbraw/zinc/97/63/70/668976370.db2.gz ALPARJIKRUTVNI-HOTGVXAUSA-N 2 0 356.511 0.584 10 0 FCAERP CC(C)[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000819077006 668976399 /nfs/dbraw/zinc/97/63/99/668976399.db2.gz INWNUBSHUFJYFA-CVEARBPZSA-N 2 0 358.527 0.734 10 0 FCAERP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000819275965 668993380 /nfs/dbraw/zinc/99/33/80/668993380.db2.gz XXXOPOLXJLGXAD-CVEARBPZSA-N 2 0 358.527 0.830 10 0 FCAERP C[NH+](C)C1CC(NC(=O)CCSCCC(=O)NC2CC([NH+](C)C)C2)C1 ZINC000819680486 669022440 /nfs/dbraw/zinc/02/24/40/669022440.db2.gz MSQPINQUJMKCSM-UHFFFAOYSA-N 2 0 370.563 0.917 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000810319656 669671660 /nfs/dbraw/zinc/67/16/60/669671660.db2.gz JUJBKNHDCURKQS-RDTXWAMCSA-N 2 0 356.486 0.903 10 0 FCAERP CC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[C@H](O)c1c(F)cccc1F ZINC000843094810 670775017 /nfs/dbraw/zinc/77/50/17/670775017.db2.gz LFHCAMCWDSLCCV-SKDZVZGDSA-N 2 0 357.445 0.975 10 0 FCAERP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000867387324 671017114 /nfs/dbraw/zinc/01/71/14/671017114.db2.gz AJAMDFWMOXTJQV-NVXWUHKLSA-N 2 0 350.507 0.872 10 0 FCAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867406356 671089595 /nfs/dbraw/zinc/08/95/95/671089595.db2.gz KMWAOKYWQGQGAV-HYVNUMGLSA-N 2 0 350.507 0.728 10 0 FCAERP CS[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C[C@H]1[NH+](C)C ZINC000849569407 671353007 /nfs/dbraw/zinc/35/30/07/671353007.db2.gz SZBVMOOGCBSVAE-YYIAUSFCSA-N 2 0 365.547 0.959 10 0 FCAERP C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1cccc(OCC[NH+](C)C)c1 ZINC000903282086 675924154 /nfs/dbraw/zinc/92/41/54/675924154.db2.gz SLPZYWBLEMZZSI-APWZRJJASA-N 2 0 351.491 0.971 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)CCC[NH+]1CCCC1)C2 ZINC000903551922 675943314 /nfs/dbraw/zinc/94/33/14/675943314.db2.gz CMELNJVRSKHWGX-LZWOXQAQSA-N 2 0 359.492 0.014 10 0 FCAERP C[C@H](CC[NH+](C)C)NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861567301 671972584 /nfs/dbraw/zinc/97/25/84/671972584.db2.gz FLIKJXOIDGIQBG-YUELXQCFSA-N 2 0 353.467 0.293 10 0 FCAERP C[C@H]1C[C@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC[NH2+]1 ZINC000861642927 671977268 /nfs/dbraw/zinc/97/72/68/671977268.db2.gz LCEFBWPTUPNXSJ-MXYBEHONSA-N 2 0 351.451 0.094 10 0 FCAERP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903757515 675968660 /nfs/dbraw/zinc/96/86/60/675968660.db2.gz YNUYHYBXEHNKPC-VXGBXAGGSA-N 2 0 352.401 0.525 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903719480 675963461 /nfs/dbraw/zinc/96/34/61/675963461.db2.gz MBGARLBSYNSUAD-FRRDWIJNSA-N 2 0 364.412 0.667 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903724099 675964101 /nfs/dbraw/zinc/96/41/01/675964101.db2.gz LPVTZRWPJBGBSK-XQQFMLRXSA-N 2 0 364.412 0.525 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000861750296 671990486 /nfs/dbraw/zinc/99/04/86/671990486.db2.gz PPPZHKXNHSXNLM-OWCLPIDISA-N 2 0 352.479 0.003 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C[NH2+]1 ZINC000861751196 671990807 /nfs/dbraw/zinc/99/08/07/671990807.db2.gz ZWIBFRBLLAPXAD-BMFZPTHFSA-N 2 0 352.479 0.003 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000861768129 671993310 /nfs/dbraw/zinc/99/33/10/671993310.db2.gz XAPRTIQWLKGVJT-UHFFFAOYSA-N 2 0 354.495 0.252 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@H]1C ZINC000903747119 675966922 /nfs/dbraw/zinc/96/69/22/675966922.db2.gz JOVCAZFLQFDFIG-FDYHWXHSSA-N 2 0 364.412 0.666 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903747696 675967207 /nfs/dbraw/zinc/96/72/07/675967207.db2.gz SNNLAHOTBXBWFJ-NDBYEHHHSA-N 2 0 364.412 0.523 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903747698 675967235 /nfs/dbraw/zinc/96/72/35/675967235.db2.gz SNNLAHOTBXBWFJ-XQHKEYJVSA-N 2 0 364.412 0.523 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000903750156 675967624 /nfs/dbraw/zinc/96/76/24/675967624.db2.gz HPFWKLDIFUDMEE-DDHJBXDOSA-N 2 0 350.385 0.276 10 0 FCAERP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903750788 675967691 /nfs/dbraw/zinc/96/76/91/675967691.db2.gz SZZOLHJJPDABGB-CHWSQXEVSA-N 2 0 366.428 0.915 10 0 FCAERP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903755597 675968227 /nfs/dbraw/zinc/96/82/27/675968227.db2.gz ADPGAFICZRNBPH-VXGBXAGGSA-N 2 0 352.401 0.523 10 0 FCAERP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C3)C2)C1 ZINC000903787019 675973342 /nfs/dbraw/zinc/97/33/42/675973342.db2.gz HHURNJIPNBXYNR-XUJVJEKNSA-N 2 0 362.396 0.279 10 0 FCAERP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903759221 675969181 /nfs/dbraw/zinc/96/91/81/675969181.db2.gz QOQDLHUQMOJXRA-NWDGAFQWSA-N 2 0 364.412 0.667 10 0 FCAERP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903762344 675969796 /nfs/dbraw/zinc/96/97/96/675969796.db2.gz YWRPFOAYDKXILC-OLZOCXBDSA-N 2 0 364.412 0.714 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903762473 675969829 /nfs/dbraw/zinc/96/98/29/675969829.db2.gz CMGUPXJSCVMXJO-YNEHKIRRSA-N 2 0 364.412 0.666 10 0 FCAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cnn1C ZINC000903883916 675980543 /nfs/dbraw/zinc/98/05/43/675980543.db2.gz MAUUGVFVVAHWJO-RDJZCZTQSA-N 2 0 371.551 0.640 10 0 FCAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cnn1C ZINC000903883917 675980621 /nfs/dbraw/zinc/98/06/21/675980621.db2.gz MAUUGVFVVAHWJO-WBVHZDCISA-N 2 0 371.551 0.640 10 0 FCAERP CC(C)N1CCC[C@@H]([NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1=O ZINC000863549930 672136393 /nfs/dbraw/zinc/13/63/93/672136393.db2.gz UNLBIRVLEPUJNX-OAGGEKHMSA-N 2 0 350.463 0.643 10 0 FCAERP Cc1csc(=O)n1CC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550285 672136516 /nfs/dbraw/zinc/13/65/16/672136516.db2.gz SRWDQPKIGZEMIT-KGLIPLIRSA-N 2 0 352.460 0.475 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2F)C[C@H]1C[NH+](C)C ZINC000867589349 672343112 /nfs/dbraw/zinc/34/31/12/672343112.db2.gz GCLKPWYGTGRSDQ-CHWSQXEVSA-N 2 0 358.483 0.768 10 0 FCAERP COCCCCN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867605797 672347132 /nfs/dbraw/zinc/34/71/32/672347132.db2.gz YFLHHHZRBDIYBL-HZPDHXFCSA-N 2 0 356.511 0.069 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000867707125 672357360 /nfs/dbraw/zinc/35/73/60/672357360.db2.gz GKOKPFLAMHCKAA-HOTGVXAUSA-N 2 0 350.507 0.872 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)cn1 ZINC000868267231 672391522 /nfs/dbraw/zinc/39/15/22/672391522.db2.gz GONRIHVKOLKEMG-ZDUSSCGKSA-N 2 0 350.467 0.278 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)n1 ZINC000868268030 672391718 /nfs/dbraw/zinc/39/17/18/672391718.db2.gz WGECHXLJCXHHHR-CYBMUJFWSA-N 2 0 350.467 0.278 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000868370194 672396205 /nfs/dbraw/zinc/39/62/05/672396205.db2.gz MACSLCXRORSRLM-BEFAXECRSA-N 2 0 350.507 0.905 10 0 FCAERP CCCN(C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2)[C@H]1CC[NH2+]C1 ZINC000868385890 672397637 /nfs/dbraw/zinc/39/76/37/672397637.db2.gz AMYZIXFOUOXEJW-INIZCTEOSA-N 2 0 350.507 0.921 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCC1(C)C ZINC000868403942 672398802 /nfs/dbraw/zinc/39/88/02/672398802.db2.gz BDJKGUQAVNMQKF-HOTGVXAUSA-N 2 0 350.507 0.777 10 0 FCAERP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000868422886 672400196 /nfs/dbraw/zinc/40/01/96/672400196.db2.gz XCLOAJRMPBORTH-IAGOWNOFSA-N 2 0 350.507 0.918 10 0 FCAERP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000868422884 672400257 /nfs/dbraw/zinc/40/02/57/672400257.db2.gz XCLOAJRMPBORTH-DLBZAZTESA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+](C)CCOc1ccc(CCNS(=O)(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000923605207 672417657 /nfs/dbraw/zinc/41/76/57/672417657.db2.gz AKDOYOQGHNPGSS-KRWDZBQOSA-N 2 0 355.504 0.841 10 0 FCAERP Cc1sc(=O)n(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C ZINC000870023215 672462082 /nfs/dbraw/zinc/46/20/82/672462082.db2.gz OFLXPBXEKLBJDR-HUUCEWRRSA-N 2 0 354.520 0.724 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)C[C@H]1C[NH+](C)C ZINC000870024155 672462368 /nfs/dbraw/zinc/46/23/68/672462368.db2.gz VROFOPRFQDXPCV-ATNYBXOESA-N 2 0 368.547 0.638 10 0 FCAERP CC(=O)Nc1nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cs1 ZINC000870023666 672462415 /nfs/dbraw/zinc/46/24/15/672462415.db2.gz HVUJRBFVXRDHRP-CHWSQXEVSA-N 2 0 353.492 0.913 10 0 FCAERP C[C@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCCCCC1 ZINC000870999480 672525304 /nfs/dbraw/zinc/52/53/04/672525304.db2.gz OQRHDIDETUTDJQ-QXSJWSMHSA-N 2 0 350.463 0.644 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@@H]1C(F)(F)F ZINC000872191605 672599865 /nfs/dbraw/zinc/59/98/65/672599865.db2.gz YTYFTCIACBOBHR-UPJWGTAASA-N 2 0 362.396 0.279 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@H]1C(F)(F)F ZINC000872193909 672602084 /nfs/dbraw/zinc/60/20/84/672602084.db2.gz 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Cc1cncn1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001489043176 1208602130 /nfs/dbraw/zinc/60/21/30/1208602130.db2.gz ZAKCDDAADOADHT-ZBFHGGJFSA-N 2 0 370.519 0.843 10 0 FCAERP C[C@@H]1CCN(C(=O)[C@H]2CCn3ccnc3C2)[C@H](C[NH2+]CCOCCO)C1 ZINC001489038121 1208615515 /nfs/dbraw/zinc/61/55/15/1208615515.db2.gz IYYFIBUAVJLSKF-IKGGRYGDSA-N 2 0 364.490 0.671 10 0 FCAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)[C@@H]1C)[NH+](CC)CC ZINC001489290798 1208720970 /nfs/dbraw/zinc/72/09/70/1208720970.db2.gz FNLNMGXNHSAJIY-QLFBSQMISA-N 2 0 367.494 0.238 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC001489271226 1208748441 /nfs/dbraw/zinc/74/84/41/1208748441.db2.gz GKJZFXYIXBIACD-PVAVHDDUSA-N 2 0 366.506 0.033 10 0 FCAERP C[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001489273503 1208750807 /nfs/dbraw/zinc/75/08/07/1208750807.db2.gz YZZKRAMEYVCBPX-DOTOQJQBSA-N 2 0 355.442 0.959 10 0 FCAERP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001489396177 1208815335 /nfs/dbraw/zinc/81/53/35/1208815335.db2.gz ULLZKVASBDDMIB-BRWVUGGUSA-N 2 0 368.522 0.281 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001489540363 1208899723 /nfs/dbraw/zinc/89/97/23/1208899723.db2.gz UYNLRFFXQMYZGE-MWDXBVQZSA-N 2 0 368.522 0.401 10 0 FCAERP CO[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001489544349 1208904876 /nfs/dbraw/zinc/90/48/76/1208904876.db2.gz WHBFPPROBXVPDQ-ARFHVFGLSA-N 2 0 354.495 0.155 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C[C@@H]1O ZINC001489591408 1209012640 /nfs/dbraw/zinc/01/26/40/1209012640.db2.gz IXKAAHNQLHQSJL-ZACQAIPSSA-N 2 0 368.522 0.277 10 0 FCAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001489660860 1209076044 /nfs/dbraw/zinc/07/60/44/1209076044.db2.gz CNQBQZGLSWYTAB-IAGOWNOFSA-N 2 0 362.518 0.873 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@H]21 ZINC001489672271 1209082271 /nfs/dbraw/zinc/08/22/71/1209082271.db2.gz IACSNYGFLXNBEK-HLIPFELVSA-N 2 0 362.518 0.873 10 0 FCAERP CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001490094234 1209252663 /nfs/dbraw/zinc/25/26/63/1209252663.db2.gz JUXBFNYAXLJBEW-ZACQAIPSSA-N 2 0 368.522 0.402 10 0 FCAERP C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)C1 ZINC001490695252 1209416669 /nfs/dbraw/zinc/41/66/69/1209416669.db2.gz YUANBNVVKMIIAZ-YVSFHVDLSA-N 2 0 350.507 0.918 10 0 FCAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)ccn1 ZINC000856591273 1209716111 /nfs/dbraw/zinc/71/61/11/1209716111.db2.gz LUURAIDHXRHGOM-INIZCTEOSA-N 2 0 361.446 0.538 10 0 FCAERP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000861491267 1209868107 /nfs/dbraw/zinc/86/81/07/1209868107.db2.gz MBEAUBIEYOCOLY-HOTGVXAUSA-N 2 0 374.441 0.087 10 0 FCAERP CCCC[N@H+](C)CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861576130 1209871718 /nfs/dbraw/zinc/87/17/18/1209871718.db2.gz VVEURAHPNGGSNE-CVEARBPZSA-N 2 0 367.494 0.685 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)C[NH2+]1 ZINC000861803783 1209883937 /nfs/dbraw/zinc/88/39/37/1209883937.db2.gz DNFJJXVVQMDOIK-WMZOPIPTSA-N 2 0 360.502 0.876 10 0 FCAERP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000863580979 1209945526 /nfs/dbraw/zinc/94/55/26/1209945526.db2.gz MCPLTBMHQFQTNU-IKGGRYGDSA-N 2 0 370.538 0.972 10 0 FCAERP COc1ccc([C@@H](C[NH3+])CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866712108 1210003803 /nfs/dbraw/zinc/00/38/03/1210003803.db2.gz RBVXZTYIRCZJJW-IDCNUPLLSA-N 2 0 360.458 0.604 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC3(CCCC3)C2)C[C@H]1C[NH+](C)C ZINC000867466177 1210007479 /nfs/dbraw/zinc/00/74/79/1210007479.db2.gz ZOTIAOMNXFHTJO-IAGOWNOFSA-N 2 0 364.534 0.977 10 0 FCAERP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000867495307 1210009431 /nfs/dbraw/zinc/00/94/31/1210009431.db2.gz XJKSFVGWWVUWNZ-ZACQAIPSSA-N 2 0 368.522 0.068 10 0 FCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867508214 1210009872 /nfs/dbraw/zinc/00/98/72/1210009872.db2.gz ZGIJBRIJXVDMNX-WBVHZDCISA-N 2 0 362.474 0.722 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H](C)[C@H](C)O1 ZINC000867584278 1210015602 /nfs/dbraw/zinc/01/56/02/1210015602.db2.gz ZPMQBSQQXNCCPI-DRRXZNNHSA-N 2 0 368.522 0.209 10 0 FCAERP C[C@H]1COC(C)(C)CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867598125 1210016537 /nfs/dbraw/zinc/01/65/37/1210016537.db2.gz HVMVFDJZVMNIRY-ARFHVFGLSA-N 2 0 368.522 0.210 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000868370517 1210056230 /nfs/dbraw/zinc/05/62/30/1210056230.db2.gz JDQQNRNBHZXZNT-ZACQAIPSSA-N 2 0 365.522 0.665 10 0 FCAERP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)CC2)c1 ZINC000868416827 1210064014 /nfs/dbraw/zinc/06/40/14/1210064014.db2.gz BQHLRBBRYFBLHJ-HZPDHXFCSA-N 2 0 373.457 0.092 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000868419803 1210064944 /nfs/dbraw/zinc/06/49/44/1210064944.db2.gz RJTDNRZTEUQWMJ-ZACQAIPSSA-N 2 0 366.506 0.299 10 0 FCAERP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000869766694 1210093831 /nfs/dbraw/zinc/09/38/31/1210093831.db2.gz YJZRRRUUJWEZBC-KRWDZBQOSA-N 2 0 368.522 0.213 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)cn1 ZINC000869775390 1210094607 /nfs/dbraw/zinc/09/46/07/1210094607.db2.gz MORRRYNUCFFWDY-YESZJQIVSA-N 2 0 363.506 0.417 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]23)C[C@H]1C[NH+](C)C ZINC000870018200 1210099481 /nfs/dbraw/zinc/09/94/81/1210099481.db2.gz WOEBZKLPHYWXMM-ZKXLYKBJSA-N 2 0 364.534 0.879 10 0 FCAERP CC(C)CN1N=C(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1=O ZINC000870019620 1210099595 /nfs/dbraw/zinc/09/95/95/1210099595.db2.gz KWTKJOAXTAHMDP-HZPDHXFCSA-N 2 0 365.522 0.819 10 0 FCAERP Cc1nn(C)c(-n2cccn2)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019741 1210099668 /nfs/dbraw/zinc/09/96/68/1210099668.db2.gz OFOCNTMWAWYRJP-HZPDHXFCSA-N 2 0 373.505 0.726 10 0 FCAERP COc1cc(COCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccn1 ZINC000870016534 1210099686 /nfs/dbraw/zinc/09/96/86/1210099686.db2.gz NNUKUCRIVKYZNM-IAGOWNOFSA-N 2 0 364.490 0.805 10 0 FCAERP Cc1cc(O)cc(=O)n1CCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020137 1210099707 /nfs/dbraw/zinc/09/97/07/1210099707.db2.gz DZIOXXHKFMEJBW-HZPDHXFCSA-N 2 0 364.490 0.450 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CNC(=O)NC2CCCCC2)C[C@H]1C[NH+](C)C ZINC000870023347 1210099920 /nfs/dbraw/zinc/09/99/20/1210099920.db2.gz UPKNQPIGVZLFJX-HZPDHXFCSA-N 2 0 367.538 0.816 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)C[C@H]1C[NH+](C)C ZINC000870024373 1210100294 /nfs/dbraw/zinc/10/02/94/1210100294.db2.gz AEYJYQXDGOUDDE-HZPDHXFCSA-N 2 0 364.465 0.753 10 0 FCAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870996180 1210125060 /nfs/dbraw/zinc/12/50/60/1210125060.db2.gz FRHDGZDERKNVAS-LLLHUVSDSA-N 2 0 356.426 0.615 10 0 FCAERP CC(C)(O)C[C@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000872201258 1210178767 /nfs/dbraw/zinc/17/87/67/1210178767.db2.gz YYZFXBBBSRCPNL-ROUUACIJSA-N 2 0 363.502 0.995 10 0 FCAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000872254605 1210182015 /nfs/dbraw/zinc/18/20/15/1210182015.db2.gz IMZRUEWXDVBCDG-YESZJQIVSA-N 2 0 354.414 0.634 10 0 FCAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254504 1210182554 /nfs/dbraw/zinc/18/25/54/1210182554.db2.gz FZDFMRCFVWHPKA-QRQLOZEOSA-N 3 0 374.485 0.994 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ncnn2C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000875561797 1210379098 /nfs/dbraw/zinc/37/90/98/1210379098.db2.gz SZMCPWNHGFGSIK-HUUCEWRRSA-N 2 0 365.526 0.914 10 0 FCAERP CCOCCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275108586 1211176043 /nfs/dbraw/zinc/17/60/43/1211176043.db2.gz OCJGXOHCRLHSPI-IXDOHACOSA-N 2 0 368.522 0.402 10 0 FCAERP C[C@@H](C[N@H+](C)CCc1nnn(C(C)(C)C)n1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275561102 1211257534 /nfs/dbraw/zinc/25/75/34/1211257534.db2.gz WEXNETJRTPCTCO-RRFJBIMHSA-N 2 0 365.526 0.747 10 0 FCAERP CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000925841309 1211509047 /nfs/dbraw/zinc/50/90/47/1211509047.db2.gz QHCDPPSSFCSBGW-OKZBNKHCSA-N 2 0 358.486 0.739 10 0 FCAERP CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926294914 1211527224 /nfs/dbraw/zinc/52/72/24/1211527224.db2.gz LIZVEONPJVUCMG-FXAWDEMLSA-N 2 0 374.485 0.032 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926296344 1211527702 /nfs/dbraw/zinc/52/77/02/1211527702.db2.gz XCMADGMYNOMETJ-ROUUACIJSA-N 2 0 358.486 0.917 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[C@H]1C[NH3+] ZINC000926298007 1211528158 /nfs/dbraw/zinc/52/81/58/1211528158.db2.gz DBILNKXJXXGEAG-RDJZCZTQSA-N 2 0 366.506 0.001 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[C@H]1C[NH3+] ZINC000926336775 1211534832 /nfs/dbraw/zinc/53/48/32/1211534832.db2.gz DQSCBMRSCMGQGY-WBVHZDCISA-N 2 0 366.506 0.001 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC[C@@H]1C[NH3+] ZINC000926348594 1211537465 /nfs/dbraw/zinc/53/74/65/1211537465.db2.gz SSXFISJLBBFVBE-ARFHVFGLSA-N 2 0 366.506 0.141 10 0 FCAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000926351819 1211538283 /nfs/dbraw/zinc/53/82/83/1211538283.db2.gz KTONHFVFJHKMOY-PXNSSMCTSA-N 2 0 362.518 0.921 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[C@@H]1C[NH3+] ZINC000926357502 1211539040 /nfs/dbraw/zinc/53/90/40/1211539040.db2.gz XPDHCBUAQFSJFD-JKSUJKDBSA-N 2 0 368.522 0.389 10 0 FCAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000926380108 1211542245 /nfs/dbraw/zinc/54/22/45/1211542245.db2.gz LIHGBRFEHVJSDE-HZPDHXFCSA-N 2 0 366.506 0.284 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926391493 1211544492 /nfs/dbraw/zinc/54/44/92/1211544492.db2.gz NVNHWZKCORHLAC-JKSUJKDBSA-N 2 0 366.506 0.143 10 0 FCAERP CCO[C@@H](CNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)C[NH+](C)C ZINC000926834254 1211556097 /nfs/dbraw/zinc/55/60/97/1211556097.db2.gz UODRLQNVAWATJJ-INIZCTEOSA-N 2 0 365.478 0.889 10 0 FCAERP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000927812276 1211583108 /nfs/dbraw/zinc/58/31/08/1211583108.db2.gz MIWVHXBQWHTFAL-RHSMWYFYSA-N 2 0 359.474 0.097 10 0 FCAERP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000927819000 1211583271 /nfs/dbraw/zinc/58/32/71/1211583271.db2.gz CINPUINYJIXUMT-KRWDZBQOSA-N 2 0 374.485 0.962 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[C@H]1C[NH3+] ZINC000927890038 1211590542 /nfs/dbraw/zinc/59/05/42/1211590542.db2.gz DWVUYLXSEKKGBS-KBPBESRZSA-N 2 0 362.478 0.532 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000929169754 1211620578 /nfs/dbraw/zinc/62/05/78/1211620578.db2.gz ZEQZEABRRXRZDX-SJORKVTESA-N 2 0 366.506 0.033 10 0 FCAERP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000929398928 1211635467 /nfs/dbraw/zinc/63/54/67/1211635467.db2.gz BZQHRZOLSBQKBG-RDJZCZTQSA-N 2 0 366.506 0.204 10 0 FCAERP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)C[NH+]1CCCC1 ZINC000929565582 1211647120 /nfs/dbraw/zinc/64/71/20/1211647120.db2.gz SJLVDSOAMOWGMP-RDJZCZTQSA-N 2 0 366.506 0.204 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccnc1 ZINC000929570091 1211647772 /nfs/dbraw/zinc/64/77/72/1211647772.db2.gz VQJAAQRZKINGPJ-OKZBNKHCSA-N 2 0 373.501 0.934 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000929701743 1211656591 /nfs/dbraw/zinc/65/65/91/1211656591.db2.gz GTSWBFSGSMTXQL-HZPDHXFCSA-N 2 0 370.538 0.696 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000930491542 1211709858 /nfs/dbraw/zinc/70/98/58/1211709858.db2.gz RYPQGRKBQPRWMR-JLSDUUJJSA-N 2 0 373.501 0.790 10 0 FCAERP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000930818651 1211723187 /nfs/dbraw/zinc/72/31/87/1211723187.db2.gz KOPMLUCHYSMXLB-CVEARBPZSA-N 2 0 373.482 0.647 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931507916 1211759451 /nfs/dbraw/zinc/75/94/51/1211759451.db2.gz BDUNGLQWUKCHJA-OAHLLOKOSA-N 2 0 361.490 0.495 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1)c1ccccc1 ZINC000933761386 1211847037 /nfs/dbraw/zinc/84/70/37/1211847037.db2.gz IASJTBJNAHHGAY-QKLQHJQFSA-N 2 0 358.486 0.993 10 0 FCAERP C[N@@H+]1CCC[C@](O)(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000900014480 1217954704 /nfs/dbraw/zinc/95/47/04/1217954704.db2.gz YDTNYEOHUZHWEB-NRFANRHFSA-N 2 0 374.529 0.767 10 0 FCAERP C[NH+]1CCC[C@H](NC(=O)c2cnc(C(=O)N[C@H]3CCC[N@@H+](C)C3)cn2)C1 ZINC000900589398 1218009811 /nfs/dbraw/zinc/00/98/11/1218009811.db2.gz KDUOKLUCTJIOLU-KBPBESRZSA-N 2 0 360.462 0.125 10 0 FCAERP C[NH+]1CCC[C@H]1CNC(=O)c1cnc(C(=O)NC[C@@H]2CCC[N@H+]2C)cn1 ZINC000900695919 1218025898 /nfs/dbraw/zinc/02/58/98/1218025898.db2.gz SXWNVUQBZAOTIA-KBPBESRZSA-N 2 0 360.462 0.125 10 0 FCAERP CN(C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000903719457 1218506185 /nfs/dbraw/zinc/50/61/85/1218506185.db2.gz LNSWPFWJKBGEIP-SJORKVTESA-N 2 0 358.486 0.915 10 0 FCAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903732847 1218509957 /nfs/dbraw/zinc/50/99/57/1218509957.db2.gz XZJNAHCVVVULBY-MRXNPFEDSA-N 2 0 364.465 0.912 10 0 FCAERP CC1(C)CN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[C@H]1[NH3+] ZINC000903753270 1218515141 /nfs/dbraw/zinc/51/51/41/1218515141.db2.gz NGALPQISJVAAEP-MRXNPFEDSA-N 2 0 366.506 0.286 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)C[C@H]1CC[NH3+] ZINC000903779292 1218524120 /nfs/dbraw/zinc/52/41/20/1218524120.db2.gz YCFJPXDWWZJQLW-QRQLOZEOSA-N 2 0 372.513 0.815 10 0 FCAERP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903885893 1218560038 /nfs/dbraw/zinc/56/00/38/1218560038.db2.gz LQRGIHGVJGUCTM-XHSDSOJGSA-N 2 0 364.494 0.566 10 0 FCAERP NC(=O)[C@@H](C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000903925029 1218566931 /nfs/dbraw/zinc/56/69/31/1218566931.db2.gz BROBOGALHQGCAS-ZBFHGGJFSA-N 2 0 360.437 0.776 10 0 FCAERP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000804054312 1219109363 /nfs/dbraw/zinc/10/93/63/1219109363.db2.gz REFXYJBJQKKZSL-MNAZLIDISA-N 2 0 364.490 0.099 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001491153124 1220088715 /nfs/dbraw/zinc/08/87/15/1220088715.db2.gz UATVOKQYHUUWJF-BFYDXBDKSA-N 2 0 350.507 0.776 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)Nc2cc(C)nn2C)CC[N@@H+]1C ZINC001491460841 1220141370 /nfs/dbraw/zinc/14/13/70/1220141370.db2.gz CWHCIEDOVDKOMW-QLFBSQMISA-N 2 0 364.494 0.492 10 0 FCAERP C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C[C@H]1F ZINC001117141080 1221478218 /nfs/dbraw/zinc/47/82/18/1221478218.db2.gz PEFYDGVGZNXFCD-WMLDXEAASA-N 2 0 368.497 0.868 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001118089906 1221707857 /nfs/dbraw/zinc/70/78/57/1221707857.db2.gz BVIZZCCMUKLIEN-RTBURBONSA-N 2 0 360.502 0.233 10 0 FCAERP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001119692088 1221951359 /nfs/dbraw/zinc/95/13/59/1221951359.db2.gz BZMOKKJIHJZAOA-IXDOHACOSA-N 2 0 366.506 0.345 10 0 FCAERP C[N@@H+]1C[C@H]2CC[C@@H](NC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC001123650433 1222346978 /nfs/dbraw/zinc/34/69/78/1222346978.db2.gz SMENBCRHRIMLQA-KZNAEPCWSA-N 2 0 372.517 0.973 10 0 FCAERP C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001123793990 1222358128 /nfs/dbraw/zinc/35/81/28/1222358128.db2.gz HGXVLGMJKSSZHG-TVFCKZIOSA-N 3 0 368.570 0.002 10 0 FCAERP CC(C)[NH+]1CCN(CCC(=O)N[C@H]2CCC[C@@H]2[NH+]2CCC(O)CC2)CC1 ZINC001123862516 1222361048 /nfs/dbraw/zinc/36/10/48/1222361048.db2.gz MVXQINQRMABVMT-OALUTQOASA-N 2 0 366.550 0.897 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000838475983 1222681661 /nfs/dbraw/zinc/68/16/61/1222681661.db2.gz KRTBYPYXEYYPED-ZWKOTPCHSA-N 2 0 368.522 0.776 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000842265418 1222845191 /nfs/dbraw/zinc/84/51/91/1222845191.db2.gz JNCNAIXDQCCFHQ-SJLPKXTDSA-N 2 0 360.502 0.734 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000818995462 1245316373 /nfs/dbraw/zinc/31/63/73/1245316373.db2.gz URVLGNCFSNREND-IRXDYDNUSA-N 2 0 370.538 0.831 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000818995460 1245316451 /nfs/dbraw/zinc/31/64/51/1245316451.db2.gz URVLGNCFSNREND-DLBZAZTESA-N 2 0 370.538 0.831 10 0 FCAERP COCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849518963 1245398279 /nfs/dbraw/zinc/39/82/79/1245398279.db2.gz UDBWTKJEWIIZED-QZTJIDSGSA-N 2 0 365.522 0.928 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849522851 1245399042 /nfs/dbraw/zinc/39/90/42/1245399042.db2.gz PDACUUCMSSLNHU-KURKYZTESA-N 2 0 363.506 0.682 10 0 FCAERP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849557192 1245400232 /nfs/dbraw/zinc/40/02/32/1245400232.db2.gz GNEHOICTHQVTSS-FGTMMUONSA-N 2 0 365.522 0.928 10 0 FCAERP C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000921667360 1245647817 /nfs/dbraw/zinc/64/78/17/1245647817.db2.gz FZQRIHHCJHUDRH-SFHVURJKSA-N 2 0 367.538 0.565 10 0 FCAERP COCCOC[C@@H](O)C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923398591 1245714133 /nfs/dbraw/zinc/71/41/33/1245714133.db2.gz LSFIGAMJRPQZBI-HOTGVXAUSA-N 2 0 367.494 0.023 10 0 FCAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000923412992 1245717593 /nfs/dbraw/zinc/71/75/93/1245717593.db2.gz CDTFEZIXTZVBRK-LBEHMCEESA-N 2 0 365.405 0.432 10 0 FCAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC(=O)NC(=O)NCc1ccccc1)CC2 ZINC000923457337 1245720362 /nfs/dbraw/zinc/72/03/62/1245720362.db2.gz UCUYYIWSFFSCBO-MRXNPFEDSA-N 2 0 360.458 0.842 10 0 FCAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001515161839 1265449374 /nfs/dbraw/zinc/44/93/74/1265449374.db2.gz XXPIHIROGBUEBK-JKSUJKDBSA-N 2 0 350.507 0.825 10 0 FCAERP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H](C(=O)N3CCC4(C[NH+](C)C4)C3)C1)C2 ZINC001328287278 1265523091 /nfs/dbraw/zinc/52/30/91/1265523091.db2.gz CRFMFVGQZKJCGF-CALCHBBNSA-N 2 0 374.529 0.731 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001328630611 1265589288 /nfs/dbraw/zinc/58/92/88/1265589288.db2.gz ULYNHNCBMXWKLN-HOTGVXAUSA-N 2 0 367.538 0.959 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CCOCCO)CC[N@@H+]1C ZINC001328686894 1265597291 /nfs/dbraw/zinc/59/72/91/1265597291.db2.gz QIZBFXIAWREKDO-YCEFEEMOSA-N 2 0 361.486 0.707 10 0 FCAERP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001328975491 1265667971 /nfs/dbraw/zinc/66/79/71/1265667971.db2.gz TZZCOKVTBHWFCD-NVXWUHKLSA-N 2 0 368.522 0.450 10 0 FCAERP C[NH2+]CC1CCN(C(=O)C(=O)N(C(C)=O)c2cccc3c2C[NH2+]CC3)CC1 ZINC001329954220 1265905709 /nfs/dbraw/zinc/90/57/09/1265905709.db2.gz WSBUOOZWKLKNCB-UHFFFAOYSA-N 2 0 372.469 0.670 10 0 FCAERP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001521942154 1266244812 /nfs/dbraw/zinc/24/48/12/1266244812.db2.gz IWJCUZDXAIXCPB-NVXWUHKLSA-N 2 0 368.522 0.117 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCCCCCC2)CC[N@@H+]1C ZINC001331713272 1266270625 /nfs/dbraw/zinc/27/06/25/1266270625.db2.gz YPEJRPGXWHEQLM-BRWVUGGUSA-N 2 0 368.522 0.186 10 0 FCAERP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)CCCO1 ZINC001335962041 1259921006 /nfs/dbraw/zinc/92/10/06/1259921006.db2.gz ZUEBGUSZZSJLPL-MRXNPFEDSA-N 2 0 370.538 0.650 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1CCN1CCCC1=O ZINC001264165722 1260368993 /nfs/dbraw/zinc/36/89/93/1260368993.db2.gz OIGPSJHYDVQYII-WBVHZDCISA-N 2 0 366.506 0.299 10 0 FCAERP 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CC[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001479461477 1263209504 /nfs/dbraw/zinc/20/95/04/1263209504.db2.gz SESWEUVNPAEGEZ-XHSDSOJGSA-N 2 0 368.522 0.483 10 0 FCAERP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001479495927 1263223225 /nfs/dbraw/zinc/22/32/25/1263223225.db2.gz SYVAEZQGCAJJSR-QLFBSQMISA-N 2 0 351.451 0.412 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001479536255 1263242590 /nfs/dbraw/zinc/24/25/90/1263242590.db2.gz BPYPOFNSZXYKMF-GDBMZVCRSA-N 2 0 354.495 0.012 10 0 FCAERP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC(=O)Nc2ccon2)C1 ZINC001479590043 1263266378 /nfs/dbraw/zinc/26/63/78/1263266378.db2.gz FVUXIBVHRAAJGZ-ILXRZTDVSA-N 2 0 363.462 0.782 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CCOCC[NH+](C)[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001479677327 1263344103 /nfs/dbraw/zinc/34/41/03/1263344103.db2.gz JKSVOWOVKFFZDK-XHSDSOJGSA-N 2 0 354.495 0.012 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001479716472 1263384299 /nfs/dbraw/zinc/38/42/99/1263384299.db2.gz GPCYMKQVRIGEPI-FSDCSDTHSA-N 2 0 350.507 0.822 10 0 FCAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C)[NH+]1CCCC1 ZINC001479730366 1263406441 /nfs/dbraw/zinc/40/64/41/1263406441.db2.gz ZWXMNILEOBOYIP-IKGGRYGDSA-N 2 0 365.522 0.711 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCOCCO)CC[N@@H+]1C ZINC001480179265 1263426382 /nfs/dbraw/zinc/42/63/82/1263426382.db2.gz BVPIBAORCBNHCN-OOHRUWKFSA-N 2 0 353.507 0.837 10 0 FCAERP Cc1cc(NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001480765543 1263434571 /nfs/dbraw/zinc/43/45/71/1263434571.db2.gz NGIXNVNIICDWNU-IACUBPJLSA-N 2 0 351.451 0.746 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001316739481 1263444945 /nfs/dbraw/zinc/44/49/45/1263444945.db2.gz AXXJJUVPDCJMJI-DLBZAZTESA-N 2 0 366.506 0.299 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001483929999 1263449711 /nfs/dbraw/zinc/44/97/11/1263449711.db2.gz USOFVHDHZDNHFP-FRRDWIJNSA-N 2 0 366.491 0.397 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC2(C)CC[NH+](CCOCCO)CC2)CC[N@@H+]1C ZINC001484136394 1263455774 /nfs/dbraw/zinc/45/57/74/1263455774.db2.gz FNULPFUFTAYESR-DLBZAZTESA-N 2 0 355.523 0.944 10 0 FCAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001316758661 1263463873 /nfs/dbraw/zinc/46/38/73/1263463873.db2.gz KHWANTPEJUHKCG-OWCLPIDISA-N 2 0 364.490 0.304 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH2+]Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001484419599 1263469910 /nfs/dbraw/zinc/46/99/10/1263469910.db2.gz YOUZUYVXYXPVEL-CRAIPNDOSA-N 2 0 362.522 0.431 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]Cc2ccc(F)cn2)CC[N@@H+]1C ZINC001484483570 1263475956 /nfs/dbraw/zinc/47/59/56/1263475956.db2.gz SLTZOPGOUIASKI-DLBZAZTESA-N 2 0 352.454 0.862 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001484676832 1263481667 /nfs/dbraw/zinc/48/16/67/1263481667.db2.gz DOKLWPNRKYBZBV-FGTMMUONSA-N 2 0 363.506 0.510 10 0 FCAERP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001484715786 1263482705 /nfs/dbraw/zinc/48/27/05/1263482705.db2.gz WYFPJQNRENLXCT-QLFBSQMISA-N 2 0 367.494 0.143 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CCn3cccn3)C2)CC[N@@H+]1C ZINC001484840505 1263488431 /nfs/dbraw/zinc/48/84/31/1263488431.db2.gz AWOYFFJIIRISIF-YQVWRLOYSA-N 2 0 363.506 0.557 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C(C)C)CC[N@@H+]1C ZINC001485785402 1263515727 /nfs/dbraw/zinc/51/57/27/1263515727.db2.gz ANLOPNGECXDOEG-RRFJBIMHSA-N 2 0 369.510 0.293 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2cn(C)nc2C)CC[N@@H+]1C ZINC001486337958 1263532617 /nfs/dbraw/zinc/53/26/17/1263532617.db2.gz PPLYWJJEJXIZRV-FGTMMUONSA-N 2 0 365.522 0.710 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001318401905 1263570602 /nfs/dbraw/zinc/57/06/02/1263570602.db2.gz HTVIKDCJXQDSJV-OWCLPIDISA-N 2 0 367.538 0.957 10 0 FCAERP CCOCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001491705954 1263614175 /nfs/dbraw/zinc/61/41/75/1263614175.db2.gz QUMDEQYVNJHGTJ-BRWVUGGUSA-N 2 0 368.522 0.308 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001494490721 1263771011 /nfs/dbraw/zinc/77/10/11/1263771011.db2.gz XLIBKSAVRMDCNM-FIDHJVLJSA-N 2 0 362.518 0.632 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCCNC(=O)C(F)(F)F)C2)CC[N@@H+]1C ZINC001494550090 1263772373 /nfs/dbraw/zinc/77/23/73/1263772373.db2.gz DSTHJNWBRBPHNE-DGCLKSJQSA-N 2 0 364.412 0.443 10 0 FCAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC(=O)NCC(F)(F)F ZINC001494983981 1263793734 /nfs/dbraw/zinc/79/37/34/1263793734.db2.gz ZSKCMYYINGWWTC-RWMBFGLXSA-N 2 0 366.428 0.880 10 0 FCAERP Cc1nnc(NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001496061716 1263853518 /nfs/dbraw/zinc/85/35/18/1263853518.db2.gz OSXOBAPBGHCCHC-DMDPSCGWSA-N 2 0 368.507 0.562 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@H](C(N)=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC001321062886 1263902881 /nfs/dbraw/zinc/90/28/81/1263902881.db2.gz DTYUHRDVZOUCHB-YKVKSRTPSA-N 2 0 362.449 0.954 10 0 FCAERP Cc1nn(C)c(C)c1NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497817260 1263952737 /nfs/dbraw/zinc/95/27/37/1263952737.db2.gz BVKVIAACPIPINQ-UXIGCNINSA-N 2 0 364.494 0.410 10 0 FCAERP C[N@@H+]1C[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)[C@@H](c2ccccc2)C1 ZINC001500730469 1264085996 /nfs/dbraw/zinc/08/59/96/1264085996.db2.gz VJSUVJLLPQEGIR-HBFSDRIKSA-N 2 0 361.486 0.267 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]C[C@@H]3CCS(=O)(=O)C3)CCC2)CC[N@@H+]1C ZINC001501952884 1264156847 /nfs/dbraw/zinc/15/68/47/1264156847.db2.gz XSLRIVPBKBRHBA-HRCADAONSA-N 2 0 371.547 0.780 10 0 FCAERP 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WUESVJNULYMYFA-RBSFLKMASA-N 2 0 354.495 0.188 10 0 FCAERP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001264096811 859310631 /nfs/dbraw/zinc/31/06/31/859310631.db2.gz SKPMTBBJVNTFMP-BBWFWOEESA-N 2 0 350.507 0.633 10 0 FCAERP CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C[NH2+]CCO ZINC001264531387 859375317 /nfs/dbraw/zinc/37/53/17/859375317.db2.gz YRRRPBPAQAQKRV-IAGOWNOFSA-N 2 0 355.523 0.944 10 0 FCAERP CCO[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C[NH2+]CCO ZINC001264536239 859377249 /nfs/dbraw/zinc/37/72/49/859377249.db2.gz POQKCZWJUILGKU-QZTJIDSGSA-N 2 0 353.507 0.554 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C[NH2+]CC(=O)NC ZINC001264538651 859378153 /nfs/dbraw/zinc/37/81/53/859378153.db2.gz DUYBROQHSHNCBH-OWCLPIDISA-N 2 0 354.495 0.060 10 0 FCAERP CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001264705418 859428980 /nfs/dbraw/zinc/42/89/80/859428980.db2.gz PKEHDAZCSUYMPQ-ZBFHGGJFSA-N 2 0 354.495 0.202 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCOCCNC(C)=O)C2)CC[N@@H+]1C ZINC001265285754 859457812 /nfs/dbraw/zinc/45/78/12/859457812.db2.gz GWWJLZZXOIVSDC-IXDOHACOSA-N 2 0 354.495 0.060 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC(=O)N(C)Cc2ccco2)CC[N@@H+]1C ZINC001266704002 859488539 /nfs/dbraw/zinc/48/85/39/859488539.db2.gz QHUQLSHMWGILDH-GDBMZVCRSA-N 2 0 350.463 0.626 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+]CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC001267908539 859519827 /nfs/dbraw/zinc/51/98/27/859519827.db2.gz HXMTYTREWSRUIC-NVXWUHKLSA-N 2 0 350.507 0.777 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC2CC2)CC[N@@H+]1C ZINC001267955883 859520052 /nfs/dbraw/zinc/52/00/52/859520052.db2.gz LPNYJFGNHMYMTG-IXDOHACOSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001274038200 860664882 /nfs/dbraw/zinc/66/48/82/860664882.db2.gz VWPLWFCYFDGZIB-ZZFUDSBHSA-N 2 0 357.520 0.413 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+]CCC[C@@H](C)O)CC2)CC[N@@H+]1C ZINC001281612561 863538622 /nfs/dbraw/zinc/53/86/22/863538622.db2.gz BNRLUUXMPXISQZ-IXDOHACOSA-N 2 0 355.523 0.821 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]CC[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001281614065 863540059 /nfs/dbraw/zinc/54/00/59/863540059.db2.gz TVXFJOKKDDBDFT-IXDOHACOSA-N 2 0 353.507 0.696 10 0 FCAERP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001281629877 863552004 /nfs/dbraw/zinc/55/20/04/863552004.db2.gz QPBDGZBXZZNBCT-IXDOHACOSA-N 2 0 350.507 0.729 10 0 FCAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001282007362 864037090 /nfs/dbraw/zinc/03/70/90/864037090.db2.gz JCKULPIKTCZXAC-ARFHVFGLSA-N 2 0 350.507 0.824 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001282442386 864262638 /nfs/dbraw/zinc/26/26/38/864262638.db2.gz YIAQZBNWQMPECX-MDZRGWNJSA-N 2 0 350.507 0.587 10 0 FCAERP CC[NH+](CC)C[C@H](F)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001282679452 864397772 /nfs/dbraw/zinc/39/77/72/864397772.db2.gz JHIHABFXUITZJI-UGUYLWEFSA-N 2 0 356.486 0.866 10 0 FCAERP COc1coc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1=O ZINC001283613398 864508449 /nfs/dbraw/zinc/50/84/49/864508449.db2.gz WVALZIPFGZEBOP-GZBFAFLISA-N 2 0 351.447 0.925 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC001284093702 864539094 /nfs/dbraw/zinc/53/90/94/864539094.db2.gz LFPCBOHMYKGDAN-HDEZJCGLSA-N 2 0 350.507 0.964 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CC[NH+](C[C@H](O)COC)CC2)CC[N@@H+]1C ZINC001284684002 864588774 /nfs/dbraw/zinc/58/87/74/864588774.db2.gz JGBQFTRDGIZYFQ-LAVFITLUSA-N 2 0 355.523 0.941 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001289001142 864842439 /nfs/dbraw/zinc/84/24/39/864842439.db2.gz NFEVJFFXBSDPGZ-YESZJQIVSA-N 2 0 350.507 0.729 10 0 FCAERP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001290268875 865379112 /nfs/dbraw/zinc/37/91/12/865379112.db2.gz QIXXJIJVCZHWOI-BZUAXINKSA-N 2 0 354.495 0.012 10 0 FCAERP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001290933064 865561862 /nfs/dbraw/zinc/56/18/62/865561862.db2.gz OOQLOQYUXVAFFV-BFYDXBDKSA-N 2 0 350.507 0.776 10 0 FCAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001291614978 865605001 /nfs/dbraw/zinc/60/50/01/865605001.db2.gz YBUWPJLDVVRHEA-ZACQAIPSSA-N 2 0 352.523 0.881 10 0 FCAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001291635191 865607296 /nfs/dbraw/zinc/60/72/96/865607296.db2.gz STSIPGSZDGQGPB-NVXWUHKLSA-N 2 0 352.523 0.881 10 0 FCAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001292812189 865754004 /nfs/dbraw/zinc/75/40/04/865754004.db2.gz YFQQFKRWOLPGOX-DLBZAZTESA-N 2 0 350.507 0.873 10 0 FCAERP 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C[NH+](C)C[C@@H]1CN(C(=O)C2CCC(S(C)(=O)=O)CC2)C[C@H]1C[NH+](C)C ZINC001352977977 867310801 /nfs/dbraw/zinc/31/08/01/867310801.db2.gz PWEWRCKHAUHTJT-JCCCHCCOSA-N 2 0 373.563 0.788 10 0 FCAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001316653236 867373949 /nfs/dbraw/zinc/37/39/49/867373949.db2.gz VXUKPJAJPGIUKG-BFHYXJOUSA-N 2 0 350.463 0.150 10 0 FCAERP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1)NCC(F)(F)F ZINC001316667563 867387969 /nfs/dbraw/zinc/38/79/69/867387969.db2.gz WAWYGPSGNJNGQS-QWHCGFSZSA-N 2 0 364.412 0.635 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001316757550 867458061 /nfs/dbraw/zinc/45/80/61/867458061.db2.gz VNXUUPZLDCBYEP-SJORKVTESA-N 2 0 350.507 0.731 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001316759702 867460288 /nfs/dbraw/zinc/46/02/88/867460288.db2.gz ITXDYPMOBWKMAN-OAGGEKHMSA-N 2 0 350.507 0.774 10 0 FCAERP CC(C)S(=O)(=O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317078178 867519362 /nfs/dbraw/zinc/51/93/62/867519362.db2.gz IKKFUFQWJSSRMZ-KLHDSHLOSA-N 2 0 359.536 0.777 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001317155337 867523199 /nfs/dbraw/zinc/52/31/99/867523199.db2.gz MXUFNIGAJHKDJB-OWCLPIDISA-N 2 0 351.495 0.180 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]C[C@H](C)CS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001323443667 869194800 /nfs/dbraw/zinc/19/48/00/869194800.db2.gz PMXZYNUNZULOSP-SOUVJXGZSA-N 2 0 359.536 0.636 10 0 FCAERP C[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)CN(C)C(=O)OC(C)(C)C ZINC001326599720 870403756 /nfs/dbraw/zinc/40/37/56/870403756.db2.gz PGTZHTMSKKOEKN-JKSUJKDBSA-N 2 0 358.527 0.687 10 0 FCAERP CC[C@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)[NH+](C)C ZINC001344297678 870814104 /nfs/dbraw/zinc/81/41/04/870814104.db2.gz OHCWTKDRLBDCRD-ARFHVFGLSA-N 2 0 350.507 0.824 10 0 FCAERP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC001327522451 870923064 /nfs/dbraw/zinc/92/30/64/870923064.db2.gz SCPFZSWMSMAHPN-HZPDHXFCSA-N 2 0 354.495 0.204 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]Cc3cnns3)CCOCC2)CC[N@@H+]1C ZINC001327633968 870985752 /nfs/dbraw/zinc/98/57/52/870985752.db2.gz AAUQZZVCRPWWHA-TZMCWYRMSA-N 2 0 353.492 0.633 10 0 FCAERP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001345546613 871404253 /nfs/dbraw/zinc/40/42/53/871404253.db2.gz FARZPSPXZYFOJE-UIBIWLFHSA-N 2 0 352.479 0.138 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCC1(C)C ZINC001329566710 872110752 /nfs/dbraw/zinc/11/07/52/872110752.db2.gz UXTQLZQFCFIRSV-UHFFFAOYSA-N 2 0 350.507 0.921 10 0 FCAERP C[NH+]1CCN(c2ccccc2CNS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC001332365287 873478929 /nfs/dbraw/zinc/47/89/29/873478929.db2.gz RARVMJRXURPASP-INIZCTEOSA-N 2 0 352.504 0.610 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CN(C)Cc2cc(C)on2)CC[N@@H+]1C ZINC001332630523 873588530 /nfs/dbraw/zinc/58/85/30/873588530.db2.gz ASUAGVZPGZOFNC-YESZJQIVSA-N 2 0 352.479 0.964 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC2CCOCC2)CC[N@@H+]1C ZINC001332634149 873590207 /nfs/dbraw/zinc/59/02/07/873590207.db2.gz WNHMYPPZAPYSNS-FGTMMUONSA-N 2 0 355.523 0.894 10 0 FCAERP CC(C)[NH+]1CCN(CCC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC001332694187 873618471 /nfs/dbraw/zinc/61/84/71/873618471.db2.gz HSFDINLWKDNRCG-GOSISDBHSA-N 2 0 352.523 0.460 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001332966447 873737781 /nfs/dbraw/zinc/73/77/81/873737781.db2.gz LLKACORTOYDQLM-CVEARBPZSA-N 2 0 351.499 0.704 10 0 FCAERP CC(C)NC(=O)NCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001333071217 873789983 /nfs/dbraw/zinc/78/99/83/873789983.db2.gz SRBBFEHKPMWSED-PRLABOORSA-N 2 0 353.511 0.613 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000285196409 213300966 /nfs/dbraw/zinc/30/09/66/213300966.db2.gz QSVIHLGUBXRENH-ZWKOTPCHSA-N 2 0 360.502 0.828 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCNC[C@@H]2C(F)F)CC1=O ZINC000367283430 216100739 /nfs/dbraw/zinc/10/07/39/216100739.db2.gz VVHCYVMKFUOPRV-MGPQQGTHSA-N 2 0 358.433 0.385 10 0 FCAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000192761859 209304957 /nfs/dbraw/zinc/30/49/57/209304957.db2.gz LRBPSCSAQKGCGQ-GOSISDBHSA-N 2 0 372.579 0.902 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)CC2([NH+](C)C)CCC2)C1 ZINC000186947888 209202577 /nfs/dbraw/zinc/20/25/77/209202577.db2.gz FKOBHQIEMRLWQR-QGZVFWFLSA-N 2 0 354.539 0.876 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC000931397967 674111867 /nfs/dbraw/zinc/11/18/67/674111867.db2.gz XWLPXUMVRGDHIC-IRXDYDNUSA-N 2 0 354.495 0.108 10 0 FCAERP Cc1ccccc1CC(=O)N1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414689740 245311646 /nfs/dbraw/zinc/31/16/46/245311646.db2.gz GSZCGDMSQNLPEL-SFHVURJKSA-N 2 0 372.513 0.879 10 0 FCAERP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)CN1CCOCC1 ZINC000414886079 245331214 /nfs/dbraw/zinc/33/12/14/245331214.db2.gz PVRUPOIAWAIEJF-HNNXBMFYSA-N 2 0 362.474 0.819 10 0 FCAERP Cn1cc(-c2cc(C[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)on2)cn1 ZINC000185031265 209170986 /nfs/dbraw/zinc/17/09/86/209170986.db2.gz ISCRSISEBBHDKG-UHFFFAOYSA-N 2 0 360.462 0.965 10 0 FCAERP C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1=O ZINC000374206656 217108016 /nfs/dbraw/zinc/10/80/16/217108016.db2.gz FGYRZKQNCINTFT-BRWVUGGUSA-N 2 0 367.538 0.911 10 0 FCAERP CCOC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCOCC1 ZINC000375746864 217308372 /nfs/dbraw/zinc/30/83/72/217308372.db2.gz SUOWJAXBNWVNBS-OAHLLOKOSA-N 2 0 367.490 0.631 10 0 FCAERP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419158808 246023465 /nfs/dbraw/zinc/02/34/65/246023465.db2.gz YIQTWEACDGSYHD-CYFGEWFFSA-N 2 0 350.507 0.713 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000419183550 246039489 /nfs/dbraw/zinc/03/94/89/246039489.db2.gz DNTOOOCZPPHBEB-APWZRJJASA-N 2 0 372.513 0.924 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCC1 ZINC000419235600 246071646 /nfs/dbraw/zinc/07/16/46/246071646.db2.gz JPRMSXJDGCMXJE-UHFFFAOYSA-N 2 0 362.518 0.857 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C[N@@H+]1C1CC1 ZINC000419313886 246095414 /nfs/dbraw/zinc/09/54/14/246095414.db2.gz GYGMLTICFNREKX-GDBMZVCRSA-N 2 0 359.474 0.419 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)Cc2ccccc2C1 ZINC000419374341 246123445 /nfs/dbraw/zinc/12/34/45/246123445.db2.gz OCSHAMQIDOKLBG-KRWDZBQOSA-N 2 0 358.486 0.460 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419413253 246147475 /nfs/dbraw/zinc/14/74/75/246147475.db2.gz DKEKWEJOPFRUHY-CRAIPNDOSA-N 2 0 358.486 0.665 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419416427 246150339 /nfs/dbraw/zinc/15/03/39/246150339.db2.gz HBVDKCLZCRGZDE-MAUKXSAKSA-N 2 0 358.486 0.665 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC000419488034 246181833 /nfs/dbraw/zinc/18/18/33/246181833.db2.gz ZSHHGXWQKONIOB-ZWKOTPCHSA-N 2 0 374.485 0.168 10 0 FCAERP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000419558618 246202546 /nfs/dbraw/zinc/20/25/46/246202546.db2.gz NAIPYXYXPKKJDM-UMVBOHGHSA-N 2 0 352.504 0.958 10 0 FCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419696924 246254701 /nfs/dbraw/zinc/25/47/01/246254701.db2.gz VVZAWLQGWXICNG-LSDHHAIUSA-N 2 0 368.547 0.578 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419757140 246285439 /nfs/dbraw/zinc/28/54/39/246285439.db2.gz HZKJYOSZCIQYJN-BBRMVZONSA-N 2 0 350.438 0.488 10 0 FCAERP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419830932 246310546 /nfs/dbraw/zinc/31/05/46/246310546.db2.gz QXGVOMLWLYKCQS-DLBZAZTESA-N 2 0 359.474 0.421 10 0 FCAERP [NH3+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419840581 246315066 /nfs/dbraw/zinc/31/50/66/246315066.db2.gz SITXLFJRJRONRS-ZWKOTPCHSA-N 2 0 358.486 0.965 10 0 FCAERP [NH3+][C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccccc1 ZINC000419907365 246362032 /nfs/dbraw/zinc/36/20/32/246362032.db2.gz CDDHBJKCBMNJEG-SFHVURJKSA-N 2 0 374.485 0.373 10 0 FCAERP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)C[C@@H]21 ZINC000423085388 246961890 /nfs/dbraw/zinc/96/18/90/246961890.db2.gz KMHCPRBKJNTODQ-FGTMMUONSA-N 2 0 362.518 0.907 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423384627 247017313 /nfs/dbraw/zinc/01/73/13/247017313.db2.gz QFOOJNGHOODLCM-GASCZTMLSA-N 2 0 373.457 0.092 10 0 FCAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000423438075 247027978 /nfs/dbraw/zinc/02/79/78/247027978.db2.gz GRKQRRZOICFHJP-PXNSSMCTSA-N 2 0 362.518 0.779 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423681619 247109883 /nfs/dbraw/zinc/10/98/83/247109883.db2.gz FZXDSEQJLDFWMR-SJORKVTESA-N 2 0 350.507 0.920 10 0 FCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000423689273 247112305 /nfs/dbraw/zinc/11/23/05/247112305.db2.gz XMVKDQHRAGYKLN-NVXWUHKLSA-N 2 0 359.474 0.355 10 0 FCAERP C[C@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1C[NH3+] ZINC000423721759 247125982 /nfs/dbraw/zinc/12/59/82/247125982.db2.gz FFPXYGFNDBXVQV-DOTOQJQBSA-N 2 0 350.507 0.907 10 0 FCAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424190449 247175525 /nfs/dbraw/zinc/17/55/25/247175525.db2.gz MFEGWMBKRPISDB-MRXNPFEDSA-N 3 0 365.526 0.548 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000481878733 250370483 /nfs/dbraw/zinc/37/04/83/250370483.db2.gz ICCUHYLYLOARIP-IXDOHACOSA-N 2 0 368.522 0.450 10 0 FCAERP COC(=O)[C@H]1CN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC[N@H+](C)C1 ZINC000413250037 532991131 /nfs/dbraw/zinc/99/11/31/532991131.db2.gz QIIRRLDTBALPHT-HRCADAONSA-N 2 0 354.495 0.996 10 0 FCAERP CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000176635285 209007414 /nfs/dbraw/zinc/00/74/14/209007414.db2.gz QTVIOGQLKKDBHJ-KRWDZBQOSA-N 2 0 359.536 0.702 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000180125319 209090763 /nfs/dbraw/zinc/09/07/63/209090763.db2.gz JBAZGZNSMXTXJY-MRXNPFEDSA-N 2 0 374.489 0.785 10 0 FCAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000178286915 209047906 /nfs/dbraw/zinc/04/79/06/209047906.db2.gz IPAGPERPAOAYRD-KRWDZBQOSA-N 3 0 363.506 0.883 10 0 FCAERP Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000178313346 209048763 /nfs/dbraw/zinc/04/87/63/209048763.db2.gz CGYDIMKVEQDAQO-CWRNSKLLSA-N 2 0 368.503 0.690 10 0 FCAERP C[C@@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(=O)N(C)C ZINC000179116458 209071888 /nfs/dbraw/zinc/07/18/88/209071888.db2.gz ILSVIGWHBMTIMO-JZWPEALZSA-N 2 0 351.495 0.416 10 0 FCAERP C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000091768739 229158569 /nfs/dbraw/zinc/15/85/69/229158569.db2.gz SKBHANJXUIYQIT-HOTGVXAUSA-N 2 0 351.495 0.419 10 0 FCAERP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C1(N2CCOCC2)CCC1 ZINC000363696521 488875729 /nfs/dbraw/zinc/87/57/29/488875729.db2.gz FYWLRCIMTQHLCF-UHFFFAOYSA-N 2 0 352.523 0.726 10 0 FCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000328675727 488929473 /nfs/dbraw/zinc/92/94/73/488929473.db2.gz QZMREXQETACSTF-YJBOKZPZSA-N 2 0 353.507 0.791 10 0 FCAERP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000364519523 488967979 /nfs/dbraw/zinc/96/79/79/488967979.db2.gz LOQOSHFAZUQBBI-DOTOQJQBSA-N 2 0 350.507 0.907 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCS(=O)(=O)c2ccccc2)CC1 ZINC000569803475 491193270 /nfs/dbraw/zinc/19/32/70/491193270.db2.gz YDEPWVJVBXXOQZ-INIZCTEOSA-N 2 0 355.504 0.048 10 0 FCAERP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCOCC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000247084546 488482065 /nfs/dbraw/zinc/48/20/65/488482065.db2.gz PKTPLOIBMVUXMH-WCVJEAGWSA-N 2 0 354.495 0.175 10 0 FCAERP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247779079 488490254 /nfs/dbraw/zinc/49/02/54/488490254.db2.gz RKYWYMWVXNTJTM-WMLDXEAASA-N 2 0 362.474 0.947 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000248577188 488498101 /nfs/dbraw/zinc/49/81/01/488498101.db2.gz QALRFGFZOBYLDZ-CZUORRHYSA-N 2 0 369.535 0.919 10 0 FCAERP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000248926715 488504593 /nfs/dbraw/zinc/50/45/93/488504593.db2.gz FZPFFDCBBSBBBC-AEFFLSMTSA-N 2 0 363.506 0.905 10 0 FCAERP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1=O ZINC000252801227 488519385 /nfs/dbraw/zinc/51/93/85/488519385.db2.gz ACFYTKFJWPOGNS-ZHALLVOQSA-N 2 0 358.486 0.958 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000111866613 488532713 /nfs/dbraw/zinc/53/27/13/488532713.db2.gz ZRKULYFROACDEW-SFHVURJKSA-N 2 0 369.554 0.765 10 0 FCAERP COCC[NH+]1CCC(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112278408 488533781 /nfs/dbraw/zinc/53/37/81/488533781.db2.gz YXIQSOYPQUHPOU-UHFFFAOYSA-N 2 0 361.490 0.674 10 0 FCAERP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2CCOC)CC[N@@H+]1CCOC ZINC000117495230 488551521 /nfs/dbraw/zinc/55/15/21/488551521.db2.gz ZYJALENAAUZRKV-SJORKVTESA-N 2 0 356.511 0.849 10 0 FCAERP CC[NH+]1CCN(CC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000119716607 488558580 /nfs/dbraw/zinc/55/85/80/488558580.db2.gz HKQWQLNLKIDROE-LJQANCHMSA-N 2 0 360.502 0.159 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000262277656 488560893 /nfs/dbraw/zinc/56/08/93/488560893.db2.gz NPBCIYNJHOTBEO-UHFFFAOYSA-N 2 0 362.474 0.350 10 0 FCAERP CC[NH+]1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000125198674 488598891 /nfs/dbraw/zinc/59/88/91/488598891.db2.gz VNOMPGXUXPNSPW-FQEVSTJZSA-N 2 0 374.529 0.897 10 0 FCAERP CN1CCN(c2ncc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)cn2)CC1 ZINC000128480375 488624962 /nfs/dbraw/zinc/62/49/62/488624962.db2.gz MTWCQHHWIQXBHD-INIZCTEOSA-N 2 0 356.478 0.732 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000154271412 488740447 /nfs/dbraw/zinc/74/04/47/488740447.db2.gz PLRUZMQSHYKLJD-AWEZNQCLSA-N 2 0 350.467 0.326 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000563142342 491220586 /nfs/dbraw/zinc/22/05/86/491220586.db2.gz MVVJYRGBYOARHI-BVGQSLNGSA-N 2 0 356.470 0.670 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000172804758 488838243 /nfs/dbraw/zinc/83/82/43/488838243.db2.gz UBDFCDONXZPLLQ-QZTJIDSGSA-N 2 0 352.523 0.630 10 0 FCAERP CN1CCO[C@@H](C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000173468056 488842916 /nfs/dbraw/zinc/84/29/16/488842916.db2.gz KAENKZOINCSFNW-RBUKOAKNSA-N 2 0 361.486 0.879 10 0 FCAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000175808334 488856104 /nfs/dbraw/zinc/85/61/04/488856104.db2.gz LDMAMJRZTDKWFQ-ZWKOTPCHSA-N 2 0 369.554 0.406 10 0 FCAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000181695224 488863617 /nfs/dbraw/zinc/86/36/17/488863617.db2.gz QMZMVMOFCOPVSX-INIZCTEOSA-N 2 0 370.538 0.831 10 0 FCAERP Cc1nccc(N2CCN(C(=O)C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)n1 ZINC000289223581 489050765 /nfs/dbraw/zinc/05/07/65/489050765.db2.gz ZJZZNOUNRWIIAU-BBRMVZONSA-N 2 0 372.473 0.033 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)[C@@H](C)C1 ZINC000570377710 491237016 /nfs/dbraw/zinc/23/70/16/491237016.db2.gz UIWHJZBMOPMMMT-ULQDDVLXSA-N 2 0 350.507 0.872 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000570393808 491237966 /nfs/dbraw/zinc/23/79/66/491237966.db2.gz XRLJQHPBAYYRRJ-LBPRGKRZSA-N 2 0 364.402 0.375 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000570551249 491249112 /nfs/dbraw/zinc/24/91/12/491249112.db2.gz CAMNTKDZPMJROX-RJYAGPCLSA-N 2 0 350.507 0.825 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000563451785 491248371 /nfs/dbraw/zinc/24/83/71/491248371.db2.gz ORNMGJMTBIDBMS-CYBMUJFWSA-N 2 0 361.437 0.273 10 0 FCAERP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000370535797 489371724 /nfs/dbraw/zinc/37/17/24/489371724.db2.gz MECPVFWJKDTYSP-KRWDZBQOSA-N 2 0 368.522 0.994 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000570688875 491258001 /nfs/dbraw/zinc/25/80/01/491258001.db2.gz DDRUPVVZVRUVOT-MRXNPFEDSA-N 2 0 356.511 0.897 10 0 FCAERP CCN(C)C(=O)[C@@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000451313248 489498201 /nfs/dbraw/zinc/49/82/01/489498201.db2.gz MHHBQQAQWJCIAH-AEFFLSMTSA-N 2 0 370.538 0.552 10 0 FCAERP CC[C@H](C)[NH+]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000451820805 489525640 /nfs/dbraw/zinc/52/56/40/489525640.db2.gz FCPYVORQXPJZGE-ZWKOTPCHSA-N 2 0 354.539 0.876 10 0 FCAERP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415895887 489564205 /nfs/dbraw/zinc/56/42/05/489564205.db2.gz QDZCMQCIJYKWGV-UHFFFAOYSA-N 2 0 372.469 0.464 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000555719706 491267569 /nfs/dbraw/zinc/26/75/69/491267569.db2.gz IGUPBXPCSMTQRZ-GOSISDBHSA-N 2 0 360.502 0.612 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417012865 489638705 /nfs/dbraw/zinc/63/87/05/489638705.db2.gz XUIOWXGKTATKHR-OLZOCXBDSA-N 2 0 353.433 0.852 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000457514625 489648175 /nfs/dbraw/zinc/64/81/75/489648175.db2.gz MPXDUBGXQUCXTR-DLBZAZTESA-N 2 0 356.511 0.489 10 0 FCAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417382273 489650268 /nfs/dbraw/zinc/65/02/68/489650268.db2.gz JJYMWWPQYSWEFJ-WMZOPIPTSA-N 3 0 360.506 0.891 10 0 FCAERP CC(C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)[NH+]1CCN(C)CC1 ZINC000457606864 489650681 /nfs/dbraw/zinc/65/06/81/489650681.db2.gz HORJTEHWDIXBRW-QZTJIDSGSA-N 2 0 369.554 0.404 10 0 FCAERP CC(C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+]1CCN(C)CC1 ZINC000457606869 489651548 /nfs/dbraw/zinc/65/15/48/489651548.db2.gz HORJTEHWDIXBRW-ROUUACIJSA-N 2 0 369.554 0.404 10 0 FCAERP CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000417778114 489665353 /nfs/dbraw/zinc/66/53/53/489665353.db2.gz FCJYBPQXOMZRAD-CQSZACIVSA-N 2 0 354.476 0.640 10 0 FCAERP CC1=CC[N@H+](CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000418020652 489675933 /nfs/dbraw/zinc/67/59/33/489675933.db2.gz GTPHGZVHUGIIDX-MRXNPFEDSA-N 2 0 351.495 0.668 10 0 FCAERP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C[NH+]1CCN(C)CC1 ZINC000458434421 489683547 /nfs/dbraw/zinc/68/35/47/489683547.db2.gz JMCPGHVJFCTAHV-SJORKVTESA-N 2 0 355.527 0.016 10 0 FCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418451541 489699264 /nfs/dbraw/zinc/69/92/64/489699264.db2.gz MYXGVLKMCHLBSC-QGZVFWFLSA-N 2 0 361.490 0.882 10 0 FCAERP [NH3+]CCCNC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418785013 489726851 /nfs/dbraw/zinc/72/68/51/489726851.db2.gz QFJRVKGGIXURNQ-UHFFFAOYSA-N 2 0 361.490 0.170 10 0 FCAERP COC(=O)CC1([NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCC1 ZINC000459398463 489730130 /nfs/dbraw/zinc/73/01/30/489730130.db2.gz KPFYZWQVYMYSQY-HNNXBMFYSA-N 2 0 355.479 0.535 10 0 FCAERP C[C@@]1(CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000418810995 489733924 /nfs/dbraw/zinc/73/39/24/489733924.db2.gz HRUOSUWIWRSUGW-XLIONFOSSA-N 2 0 358.486 0.965 10 0 FCAERP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418833092 489745607 /nfs/dbraw/zinc/74/56/07/489745607.db2.gz ZUVODVURIPGGTH-PXNSSMCTSA-N 2 0 358.486 0.978 10 0 FCAERP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418861750 489762844 /nfs/dbraw/zinc/76/28/44/489762844.db2.gz NLLVWOVPYVETLO-AEFFLSMTSA-N 2 0 358.486 0.883 10 0 FCAERP C[C@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000418877947 489770968 /nfs/dbraw/zinc/77/09/68/489770968.db2.gz QCWKLTPGKBODOJ-RYQLBKOJSA-N 2 0 360.502 0.780 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418880615 489772571 /nfs/dbraw/zinc/77/25/71/489772571.db2.gz VUZFNWUJQRIUGT-OKZBNKHCSA-N 2 0 360.502 0.909 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418880616 489772982 /nfs/dbraw/zinc/77/29/82/489772982.db2.gz VUZFNWUJQRIUGT-SQNIBIBYSA-N 2 0 360.502 0.909 10 0 FCAERP C[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490987841 489791594 /nfs/dbraw/zinc/79/15/94/489791594.db2.gz NITDQDVEIJCFCL-SQNIBIBYSA-N 2 0 372.579 0.616 10 0 FCAERP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC([NH2+]C)CC1)c1ccco1 ZINC000418937135 489796641 /nfs/dbraw/zinc/79/66/41/489796641.db2.gz FMQNSJFDHNEVKG-HNNXBMFYSA-N 2 0 350.463 0.989 10 0 FCAERP CN(C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459928082 489797762 /nfs/dbraw/zinc/79/77/62/489797762.db2.gz XGRCPZYBXLUXSR-GBESFXJTSA-N 2 0 370.497 0.882 10 0 FCAERP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000459956770 489803940 /nfs/dbraw/zinc/80/39/40/489803940.db2.gz QSZXDMZNAGCFGP-UHFFFAOYSA-N 2 0 350.507 0.873 10 0 FCAERP [NH3+][C@@H]1CCN(C(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000418966769 489806380 /nfs/dbraw/zinc/80/63/80/489806380.db2.gz QUNKXWCBPBMXHF-CSNJMZFVSA-N 2 0 356.470 0.858 10 0 FCAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419002184 489814563 /nfs/dbraw/zinc/81/45/63/489814563.db2.gz BSHDQHFCFNGIII-KDURUIRLSA-N 2 0 370.497 0.967 10 0 FCAERP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000419982134 489871931 /nfs/dbraw/zinc/87/19/31/489871931.db2.gz VAYPLSHESPFLPO-IAGOWNOFSA-N 2 0 367.538 0.105 10 0 FCAERP CN(C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419994648 489875404 /nfs/dbraw/zinc/87/54/04/489875404.db2.gz HMYVHCSEJOHMDS-QZTJIDSGSA-N 2 0 358.486 0.978 10 0 FCAERP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419993575 489875680 /nfs/dbraw/zinc/87/56/80/489875680.db2.gz GMHXMIBFNZQYOS-CQSZACIVSA-N 2 0 352.504 0.897 10 0 FCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420100758 489912147 /nfs/dbraw/zinc/91/21/47/489912147.db2.gz KVXZCBQNIDWIRO-FUHWJXTLSA-N 2 0 358.486 0.835 10 0 FCAERP CCC[C@@]1(CO)CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000377503156 489912575 /nfs/dbraw/zinc/91/25/75/489912575.db2.gz BCRJVEBHNXXSSE-PKOBYXMFSA-N 2 0 355.523 0.944 10 0 FCAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000420105470 489914076 /nfs/dbraw/zinc/91/40/76/489914076.db2.gz SKTWKFBXAQHSQU-FUHWJXTLSA-N 2 0 360.502 0.999 10 0 FCAERP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(OCCC(=O)NC)CC2)CC1 ZINC000494976085 489921322 /nfs/dbraw/zinc/92/13/22/489921322.db2.gz OMNIAOUAILYZKY-UHFFFAOYSA-N 2 0 354.495 0.204 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000377566493 489921597 /nfs/dbraw/zinc/92/15/97/489921597.db2.gz UTMXXVADCZVUKK-HNNXBMFYSA-N 2 0 354.495 0.333 10 0 FCAERP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000420167163 489938484 /nfs/dbraw/zinc/93/84/84/489938484.db2.gz OPQKXOIADHGECM-QGZVFWFLSA-N 2 0 368.522 0.453 10 0 FCAERP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1nccn1CC(F)(F)F ZINC000477109948 489944245 /nfs/dbraw/zinc/94/42/45/489944245.db2.gz VIGZBXZXMMZAHX-NSHDSACASA-N 2 0 363.384 0.908 10 0 FCAERP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000420193551 489947882 /nfs/dbraw/zinc/94/78/82/489947882.db2.gz CNNPREVNVKRZEY-IJGSYPAGSA-N 2 0 362.518 0.666 10 0 FCAERP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000420211320 489953868 /nfs/dbraw/zinc/95/38/68/489953868.db2.gz WWSUAEQLRRAQMU-IRXDYDNUSA-N 2 0 366.506 0.206 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000420896756 490029430 /nfs/dbraw/zinc/02/94/30/490029430.db2.gz BHLXXXGTISQOKR-QGZVFWFLSA-N 2 0 373.457 0.424 10 0 FCAERP CN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439597580 490042208 /nfs/dbraw/zinc/04/22/08/490042208.db2.gz RCHSMGGDYSCQIQ-OAHLLOKOSA-N 2 0 354.414 0.901 10 0 FCAERP CN(C(=O)C(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000479142182 490069903 /nfs/dbraw/zinc/06/99/03/490069903.db2.gz APPLZXAHZMEBJG-GOSISDBHSA-N 2 0 358.486 0.930 10 0 FCAERP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479210514 490073700 /nfs/dbraw/zinc/07/37/00/490073700.db2.gz XKKRONRTTKENJU-KRWDZBQOSA-N 2 0 364.465 0.927 10 0 FCAERP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000465029245 490075957 /nfs/dbraw/zinc/07/59/57/490075957.db2.gz KAOMMGSOPUXPNB-QGZVFWFLSA-N 3 0 366.506 0.252 10 0 FCAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000556170925 491299586 /nfs/dbraw/zinc/29/95/86/491299586.db2.gz MGPOHLZOGHSWTC-KRWDZBQOSA-N 2 0 368.522 0.548 10 0 FCAERP O=C(CCOC1C[NH2+]C1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000564325417 491300895 /nfs/dbraw/zinc/30/08/95/491300895.db2.gz SBFRHHDNTBDQHH-UHFFFAOYSA-N 2 0 360.502 0.689 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390779903 490138007 /nfs/dbraw/zinc/13/80/07/490138007.db2.gz QEZCSIZWWUBXGO-SJORKVTESA-N 2 0 353.488 0.559 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397606310 490166015 /nfs/dbraw/zinc/16/60/15/490166015.db2.gz XEAPPBWBIABGCD-GOSISDBHSA-N 2 0 367.515 0.806 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000398083577 490167065 /nfs/dbraw/zinc/16/70/65/490167065.db2.gz SPXHRHJYHUAZPD-NJAFHUGGSA-N 2 0 367.515 0.805 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000520612677 490172277 /nfs/dbraw/zinc/17/22/77/490172277.db2.gz RGWSZDSBNVZNJP-UHFFFAOYSA-N 2 0 353.511 0.761 10 0 FCAERP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000408071264 490238599 /nfs/dbraw/zinc/23/85/99/490238599.db2.gz MWCDAHSCPCRMCN-OAGGEKHMSA-N 2 0 351.495 0.417 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000521624583 490283304 /nfs/dbraw/zinc/28/33/04/490283304.db2.gz DPYGFRYTFPZVNV-QGZVFWFLSA-N 2 0 369.535 0.826 10 0 FCAERP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000522102157 490340824 /nfs/dbraw/zinc/34/08/24/490340824.db2.gz QMZCYRFLUBKNQG-KRWDZBQOSA-N 2 0 365.522 0.807 10 0 FCAERP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000422476429 490344324 /nfs/dbraw/zinc/34/43/24/490344324.db2.gz VMZRLSNWADLTJG-INIZCTEOSA-N 2 0 355.442 0.895 10 0 FCAERP CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000484645537 490452382 /nfs/dbraw/zinc/45/23/82/490452382.db2.gz WBEYLXQJMKBUPE-YESZJQIVSA-N 2 0 357.495 0.243 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000509719086 490455415 /nfs/dbraw/zinc/45/54/15/490455415.db2.gz FSJAAIYYOVTQBF-UHFFFAOYSA-N 2 0 368.522 0.405 10 0 FCAERP Cc1nc(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)nc(N(C)C)n1 ZINC000535228311 490467465 /nfs/dbraw/zinc/46/74/65/490467465.db2.gz AVYBRHADGUCOAI-INIZCTEOSA-N 2 0 371.489 0.947 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000535428725 490489596 /nfs/dbraw/zinc/48/95/96/490489596.db2.gz APUFQBJHEDWAIP-XIRDDKMYSA-N 2 0 367.538 0.861 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000422958695 490505652 /nfs/dbraw/zinc/50/56/52/490505652.db2.gz YSHZRGVDXZKQGM-INIZCTEOSA-N 2 0 358.486 0.978 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C3CC3)C[C@H](C)C2)C1 ZINC000451087407 490513856 /nfs/dbraw/zinc/51/38/56/490513856.db2.gz UYUGMADVCUDOFL-IEBWSBKVSA-N 2 0 366.550 0.876 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)n1 ZINC000535761068 490524640 /nfs/dbraw/zinc/52/46/40/490524640.db2.gz VIQHCJFNYFFYTB-UHFFFAOYSA-N 2 0 357.462 0.844 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000423064948 490533580 /nfs/dbraw/zinc/53/35/80/490533580.db2.gz ZYZUEACRRSHVGA-NXHRZFHOSA-N 2 0 358.486 0.915 10 0 FCAERP CN1CCC(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)([NH+]2CCCCC2)CC1 ZINC000485534181 490540092 /nfs/dbraw/zinc/54/00/92/490540092.db2.gz RXJPPUSAVQGZDZ-GOSISDBHSA-N 2 0 363.550 0.443 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511967642 490645276 /nfs/dbraw/zinc/64/52/76/490645276.db2.gz OCWOWXBXBNEQRU-VXLLPVPCSA-N 2 0 350.507 0.918 10 0 FCAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H]2CCC[C@H]21 ZINC000556886885 491342711 /nfs/dbraw/zinc/34/27/11/491342711.db2.gz PRWDRKQSZGPECB-VSZNYVQBSA-N 2 0 350.507 0.382 10 0 FCAERP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564987076 491344061 /nfs/dbraw/zinc/34/40/61/491344061.db2.gz NPCSIOZONPZFEX-YESZJQIVSA-N 2 0 374.485 0.884 10 0 FCAERP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000565038542 491347034 /nfs/dbraw/zinc/34/70/34/491347034.db2.gz GTHIYPBHUYSGJP-JKSUJKDBSA-N 2 0 363.412 0.915 10 0 FCAERP CCc1nc(C)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000527123879 490701418 /nfs/dbraw/zinc/70/14/18/490701418.db2.gz NQAAXJLBBUYGEV-UHFFFAOYSA-N 2 0 355.508 0.904 10 0 FCAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000572112710 491349249 /nfs/dbraw/zinc/34/92/49/491349249.db2.gz WQGXCHSDUZNFCR-GOSISDBHSA-N 3 0 350.507 0.325 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487685460 490725730 /nfs/dbraw/zinc/72/57/30/490725730.db2.gz CQZXNAIXYPGYIS-FGTMMUONSA-N 2 0 368.522 0.774 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000565099125 491353600 /nfs/dbraw/zinc/35/36/00/491353600.db2.gz QQOPRQNVEWSZSW-ROUUACIJSA-N 2 0 368.522 0.774 10 0 FCAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)CC1 ZINC000528635655 490817093 /nfs/dbraw/zinc/81/70/93/490817093.db2.gz ONBDVYMMJBGYFU-QGZVFWFLSA-N 2 0 353.507 0.840 10 0 FCAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000515845730 490840613 /nfs/dbraw/zinc/84/06/13/490840613.db2.gz RACALHVDUHKXNE-SFHVURJKSA-N 2 0 356.470 0.814 10 0 FCAERP C[C@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C[NH+]1CCCC1 ZINC000529297118 490848126 /nfs/dbraw/zinc/84/81/26/490848126.db2.gz JSYSBLSNRCTMGK-MRXNPFEDSA-N 2 0 366.510 0.071 10 0 FCAERP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000529308301 490849547 /nfs/dbraw/zinc/84/95/47/490849547.db2.gz FRQPDAKBSQXCNT-IAGOWNOFSA-N 2 0 354.495 0.507 10 0 FCAERP [NH3+]C[C@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CCCCC1 ZINC000529329008 490853581 /nfs/dbraw/zinc/85/35/81/490853581.db2.gz AYSNXUJKAUPXES-INIZCTEOSA-N 2 0 366.510 0.246 10 0 FCAERP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1=O ZINC000529721446 490866659 /nfs/dbraw/zinc/86/66/59/490866659.db2.gz WABWAQVUTSIMOT-WBVHZDCISA-N 2 0 350.507 0.920 10 0 FCAERP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000557255015 491362725 /nfs/dbraw/zinc/36/27/25/491362725.db2.gz ICKCZXMZVUCYQL-IBGZPJMESA-N 2 0 350.507 0.825 10 0 FCAERP O=C(NCCNc1cc[nH+]cc1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000541922772 490878982 /nfs/dbraw/zinc/87/89/82/490878982.db2.gz PIPOXGWXTKVFOS-IBGZPJMESA-N 2 0 369.469 0.981 10 0 FCAERP C[C@H](NC(=O)N1CCN(CCC(=O)N(C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000542823147 490910866 /nfs/dbraw/zinc/91/08/66/490910866.db2.gz CLKVBRABOHZYMG-HNNXBMFYSA-N 2 0 351.495 0.442 10 0 FCAERP Cn1c(=O)[nH]cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000518373298 490938425 /nfs/dbraw/zinc/93/84/25/490938425.db2.gz UXQUXJAVXWLYMY-UHFFFAOYSA-N 2 0 371.441 0.209 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000518408482 490939716 /nfs/dbraw/zinc/93/97/16/490939716.db2.gz XLCOLRWOTIFANW-UHFFFAOYSA-N 2 0 368.522 0.452 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC(C)C)CC1 ZINC000519553048 490976262 /nfs/dbraw/zinc/97/62/62/490976262.db2.gz UJWITUNBEOHLJE-UHFFFAOYSA-N 2 0 356.511 0.260 10 0 FCAERP CC(C)[N@H+]1C[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC000519727254 490987094 /nfs/dbraw/zinc/98/70/94/490987094.db2.gz DUSKZPODMAYLRB-MKXAEBJUSA-N 2 0 350.507 0.963 10 0 FCAERP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)NC3CC[NH+](C4CC4)CC3)[C@H]2C1 ZINC000519756353 490988393 /nfs/dbraw/zinc/98/83/93/490988393.db2.gz YESFYPGNKBCKFF-ZYSHUDEJSA-N 2 0 362.518 0.966 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000557492688 491378375 /nfs/dbraw/zinc/37/83/75/491378375.db2.gz HLNUGCGWXHQISX-CGZBRXJRSA-N 2 0 366.506 0.347 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000572976172 491405137 /nfs/dbraw/zinc/40/51/37/491405137.db2.gz MHMFPUHNLYJWEV-GOSISDBHSA-N 2 0 369.510 0.045 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)CC1 ZINC000565962420 491409223 /nfs/dbraw/zinc/40/92/23/491409223.db2.gz IUAJZTPNSHJTIJ-KRWDZBQOSA-N 2 0 367.538 0.959 10 0 FCAERP C[N@H+](CC[C@@H]1CCNC1=O)[C@H]1CCC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000573101395 491413177 /nfs/dbraw/zinc/41/31/77/491413177.db2.gz KNVMVQLGLKOCFU-BBWFWOEESA-N 2 0 350.507 0.825 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000566163616 491421922 /nfs/dbraw/zinc/42/19/22/491421922.db2.gz CLRKWRJMGMVFBW-UHFFFAOYSA-N 2 0 361.490 0.736 10 0 FCAERP COC(=O)C1CC[NH+](CCCNC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000566176663 491422884 /nfs/dbraw/zinc/42/28/84/491422884.db2.gz RVGOUPWBTCNCGJ-UHFFFAOYSA-N 2 0 355.479 0.664 10 0 FCAERP COCC[N@H+](C)CCN1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1=O ZINC000673549976 493343981 /nfs/dbraw/zinc/34/39/81/493343981.db2.gz HLZDZZQRRPHEJU-CQSZACIVSA-N 2 0 363.462 0.057 10 0 FCAERP CN1CCC(CNC(=O)N2CCO[C@H](C[NH3+])C2)([NH+]2CCCCC2)CC1 ZINC000574141907 491476736 /nfs/dbraw/zinc/47/67/36/491476736.db2.gz SNJYCADHPYZRKL-MRXNPFEDSA-N 2 0 353.511 0.306 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000567161560 491489366 /nfs/dbraw/zinc/48/93/66/491489366.db2.gz AVEIJBRRMVECDH-UXHICEINSA-N 2 0 374.529 0.418 10 0 FCAERP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000567573327 491514496 /nfs/dbraw/zinc/51/44/96/491514496.db2.gz YCWJVDGGSBKQGN-LJQANCHMSA-N 2 0 350.507 0.827 10 0 FCAERP CN(C(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000574796724 491520661 /nfs/dbraw/zinc/52/06/61/491520661.db2.gz DPOWUHUOUVFUER-HOTGVXAUSA-N 2 0 350.507 0.918 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000574975774 491531186 /nfs/dbraw/zinc/53/11/86/491531186.db2.gz DSUNSONADZZFTL-QFBILLFUSA-N 2 0 366.506 0.062 10 0 FCAERP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000673586702 493348883 /nfs/dbraw/zinc/34/88/83/493348883.db2.gz VGZRCZDSMONTDT-BBWFWOEESA-N 2 0 366.506 0.081 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000567880472 491537221 /nfs/dbraw/zinc/53/72/21/491537221.db2.gz IEVKKLZUGINQNQ-QGZVFWFLSA-N 2 0 362.474 0.156 10 0 FCAERP CCC[C@H]1CN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CCN1CCOC ZINC000575319240 491548449 /nfs/dbraw/zinc/54/84/49/491548449.db2.gz NKSOUMCKGRMOMX-HMQMGEFJSA-N 2 0 351.491 0.760 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000568287644 491566990 /nfs/dbraw/zinc/56/69/90/491566990.db2.gz FJAHEDXPCLASQS-INIZCTEOSA-N 2 0 367.538 0.960 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000668421149 493351420 /nfs/dbraw/zinc/35/14/20/493351420.db2.gz RTULOHIIXIACRE-KRWDZBQOSA-N 2 0 366.506 0.299 10 0 FCAERP CN(C)[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000576030072 491577002 /nfs/dbraw/zinc/57/70/02/491577002.db2.gz MNLIPHHSKAPGRB-PBHICJAKSA-N 2 0 356.461 0.765 10 0 FCAERP C[C@H]1CC[NH+](CC(=O)NCC(C)(C)CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000561222520 491585051 /nfs/dbraw/zinc/58/50/51/491585051.db2.gz NVSCTMSGZLNXAL-HOTGVXAUSA-N 2 0 352.523 0.929 10 0 FCAERP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000576393820 491611081 /nfs/dbraw/zinc/61/10/81/491611081.db2.gz GYYHAFDKSHZWRN-HNNXBMFYSA-N 2 0 369.849 0.753 10 0 FCAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000577396412 491618918 /nfs/dbraw/zinc/61/89/18/491618918.db2.gz RWXZZQQZNPSXPJ-OKZBNKHCSA-N 2 0 356.470 0.814 10 0 FCAERP C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccccc2Cn2ccnc2)C1 ZINC000569066478 491631186 /nfs/dbraw/zinc/63/11/86/491631186.db2.gz CATGIJHCBVAWQF-INIZCTEOSA-N 2 0 350.444 0.276 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000578627027 491681163 /nfs/dbraw/zinc/68/11/63/491681163.db2.gz JSBVCGYBSQDHEJ-KRWDZBQOSA-N 2 0 362.474 0.156 10 0 FCAERP C[NH+]1CCN(c2cc(CNC(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)ccn2)CC1 ZINC000578741644 491683437 /nfs/dbraw/zinc/68/34/37/491683437.db2.gz RFHFMGWQMPJICS-HDICACEKSA-N 2 0 372.517 0.974 10 0 FCAERP Cc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000579102569 491690954 /nfs/dbraw/zinc/69/09/54/491690954.db2.gz JOIOJUCUPPDDBF-RTBURBONSA-N 2 0 360.502 0.294 10 0 FCAERP COc1ccccc1OC[C@@H](C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000579228375 491693536 /nfs/dbraw/zinc/69/35/36/491693536.db2.gz KUAWQCLRYKGGGO-IRXDYDNUSA-N 2 0 351.491 0.908 10 0 FCAERP COc1ccccc1OC[C@@H](C)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000579228373 491693587 /nfs/dbraw/zinc/69/35/87/491693587.db2.gz KUAWQCLRYKGGGO-DLBZAZTESA-N 2 0 351.491 0.908 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000579388571 491697067 /nfs/dbraw/zinc/69/70/67/491697067.db2.gz ZEANDFSIXKIZRC-KRWDZBQOSA-N 2 0 368.522 0.452 10 0 FCAERP 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ZINC000584623047 491709047 /nfs/dbraw/zinc/70/90/47/491709047.db2.gz XLRNUKBYAFZHMF-CABCVRRESA-N 2 0 374.489 0.288 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@@H](C)C1 ZINC000584865997 491717932 /nfs/dbraw/zinc/71/79/32/491717932.db2.gz LMRLGSUPVNTDRJ-ZOBUZTSGSA-N 2 0 350.507 0.942 10 0 FCAERP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1S(N)(=O)=O ZINC000580193244 491720966 /nfs/dbraw/zinc/72/09/66/491720966.db2.gz RISCUDRSYQJQOH-OKILXGFUSA-N 2 0 366.487 0.512 10 0 FCAERP Cc1noc(C[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c2ccccc2)n1 ZINC000580687609 491741445 /nfs/dbraw/zinc/74/14/45/491741445.db2.gz FZBKCSBNNBTMAI-ZWKOTPCHSA-N 2 0 359.474 0.860 10 0 FCAERP Cc1cc2c(ncnc2N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)s1 ZINC000580952179 491753181 /nfs/dbraw/zinc/75/31/81/491753181.db2.gz LUYNEKMGNNANAD-UHFFFAOYSA-N 2 0 374.514 0.944 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H](C)C2)C1 ZINC000580961927 491753349 /nfs/dbraw/zinc/75/33/49/491753349.db2.gz ILEFMVKYYBOVNT-PIIMJCKOSA-N 2 0 364.534 0.977 10 0 FCAERP CC(C)(CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+]1CCCCC1 ZINC000581181380 491762502 /nfs/dbraw/zinc/76/25/02/491762502.db2.gz PLKLNUYZLKOUPI-LJQANCHMSA-N 2 0 350.507 0.969 10 0 FCAERP CC(C)(CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+]1CCCCC1 ZINC000581181379 491762549 /nfs/dbraw/zinc/76/25/49/491762549.db2.gz PLKLNUYZLKOUPI-IBGZPJMESA-N 2 0 350.507 0.969 10 0 FCAERP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000581316559 491768428 /nfs/dbraw/zinc/76/84/28/491768428.db2.gz CRIJBGCLVFPBKE-UHFFFAOYSA-N 2 0 368.522 0.548 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)CSCC(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000590444329 491776778 /nfs/dbraw/zinc/77/67/78/491776778.db2.gz KOXQUJRNKMYKHP-GEEKYZPCSA-N 2 0 366.531 0.045 10 0 FCAERP C[NH+]1C[C@@H]2CCN(C(=O)CSCC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000590444333 491776790 /nfs/dbraw/zinc/77/67/90/491776790.db2.gz KOXQUJRNKMYKHP-SYMSYNOKSA-N 2 0 366.531 0.045 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000582672197 491822178 /nfs/dbraw/zinc/82/21/78/491822178.db2.gz RVOWSPNWTITQNV-UHFFFAOYSA-N 2 0 368.522 0.452 10 0 FCAERP CCOC[C@@H](O)C[NH+]1CCCC2(CCC[N@@H+](C[C@H](O)COCC)C2)C1 ZINC000582753600 491825360 /nfs/dbraw/zinc/82/53/60/491825360.db2.gz KEVANTGTLBWFSG-ADUPEVMXSA-N 2 0 358.523 0.959 10 0 FCAERP C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2ccc3nccn3c2)CC1(C)C ZINC000583301707 491841887 /nfs/dbraw/zinc/84/18/87/491841887.db2.gz YIGRYSLWPFEXCC-UHFFFAOYSA-N 2 0 358.446 0.415 10 0 FCAERP O=C(NC[C@H]1CCCC[N@H+]1CCO)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000583428512 491844567 /nfs/dbraw/zinc/84/45/67/491844567.db2.gz ATMXGXLYSUECKB-OAHLLOKOSA-N 2 0 360.458 0.234 10 0 FCAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000583747051 491851183 /nfs/dbraw/zinc/85/11/83/491851183.db2.gz REYWQGWTSOALJZ-APWZRJJASA-N 2 0 350.507 0.921 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000611956348 491885505 /nfs/dbraw/zinc/88/55/05/491885505.db2.gz PAJWZXIHDCFYGO-IAGOWNOFSA-N 2 0 368.522 0.404 10 0 FCAERP CSCC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000600601999 491869966 /nfs/dbraw/zinc/86/99/66/491869966.db2.gz KLJVKXZVQSZONO-KKUMJFAQSA-N 2 0 356.536 0.529 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C2CCC2)CC1 ZINC000596071125 491974777 /nfs/dbraw/zinc/97/47/77/491974777.db2.gz WOKYLPRNTHGPOO-IAGOWNOFSA-N 2 0 355.523 0.942 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[C@H]2NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000613981595 492007293 /nfs/dbraw/zinc/00/72/93/492007293.db2.gz HTHHUBCGMDJNBD-VQHPVUNQSA-N 2 0 350.507 0.824 10 0 FCAERP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000614506343 492034252 /nfs/dbraw/zinc/03/42/52/492034252.db2.gz GGEFPHKLPWWVNG-RBUKOAKNSA-N 2 0 357.502 0.800 10 0 FCAERP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000614506341 492034407 /nfs/dbraw/zinc/03/44/07/492034407.db2.gz GGEFPHKLPWWVNG-MOPGFXCFSA-N 2 0 357.502 0.800 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@](C)(CO)c2ccccc2)C1 ZINC000599173833 492139047 /nfs/dbraw/zinc/13/90/47/492139047.db2.gz ZELAHUXEUUFQQT-QUCCMNQESA-N 2 0 363.502 0.957 10 0 FCAERP C[N@H+](CCCO)C1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000607231631 492141670 /nfs/dbraw/zinc/14/16/70/492141670.db2.gz KPSXKQHRJZIAMY-UHFFFAOYSA-N 2 0 356.511 0.587 10 0 FCAERP COC(=O)[C@]1(OC)CC[NH+](C/C=C/C[N@H+]2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC000599559417 492187143 /nfs/dbraw/zinc/18/71/43/492187143.db2.gz VCFJKYMTHKNUFD-ZBKUBXTQSA-N 2 0 370.446 0.070 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)c1cccc(C(=O)N(C)CC2C[NH+](C)C2)c1N ZINC000618189331 492214526 /nfs/dbraw/zinc/21/45/26/492214526.db2.gz FMTOUQOZKNTOGP-UHFFFAOYSA-N 2 0 373.501 0.536 10 0 FCAERP CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)C2)CC1 ZINC000610478384 492248228 /nfs/dbraw/zinc/24/82/28/492248228.db2.gz WSGJHPJBWYELBB-KRWDZBQOSA-N 2 0 363.510 0.688 10 0 FCAERP CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000611027552 492276313 /nfs/dbraw/zinc/27/63/13/492276313.db2.gz AYBIQXUWEQDEKY-LSDHHAIUSA-N 2 0 353.463 0.731 10 0 FCAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627429144 492292654 /nfs/dbraw/zinc/29/26/54/492292654.db2.gz ZQTGSWCPJWLOIB-ZYSHUDEJSA-N 2 0 350.507 0.681 10 0 FCAERP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627439712 492295775 /nfs/dbraw/zinc/29/57/75/492295775.db2.gz RVGMBFSZADDTFX-MRXNPFEDSA-N 2 0 350.507 0.966 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627441050 492296485 /nfs/dbraw/zinc/29/64/85/492296485.db2.gz ALXSEDKZBYVBJM-OAHLLOKOSA-N 2 0 354.495 0.204 10 0 FCAERP C[NH+](C)[C@@H]1C[C@H](CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000654405746 492299621 /nfs/dbraw/zinc/29/96/21/492299621.db2.gz CZIQLOPHJSHMAI-WOVMCDHWSA-N 2 0 360.506 0.973 10 0 FCAERP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627454868 492301971 /nfs/dbraw/zinc/30/19/71/492301971.db2.gz CHHDOIKVORAUTF-UHFFFAOYSA-N 2 0 368.503 0.262 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000627463691 492306759 /nfs/dbraw/zinc/30/67/59/492306759.db2.gz GHPMBNIFDFWKPR-UHFFFAOYSA-N 2 0 354.495 0.063 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C[NH2+]1 ZINC000627478082 492314537 /nfs/dbraw/zinc/31/45/37/492314537.db2.gz GYWJMYJQBPVTHU-GOEBONIOSA-N 2 0 364.465 0.973 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C[NH2+]1 ZINC000627480133 492315773 /nfs/dbraw/zinc/31/57/73/492315773.db2.gz LGOKLEZVKSVUAI-NJAFHUGGSA-N 2 0 358.486 0.976 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)o1 ZINC000627483244 492317724 /nfs/dbraw/zinc/31/77/24/492317724.db2.gz AZGNYJOJWONITC-HIFRSBDPSA-N 2 0 350.463 0.735 10 0 FCAERP [NH3+]CCCOCCNC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000627485291 492318600 /nfs/dbraw/zinc/31/86/00/492318600.db2.gz YBUXSWLFLCHZLA-UHFFFAOYSA-N 2 0 368.522 0.583 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000627499249 492323887 /nfs/dbraw/zinc/32/38/87/492323887.db2.gz DXJWYCJEABBIJP-MAUKXSAKSA-N 2 0 373.501 0.414 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000627498705 492324103 /nfs/dbraw/zinc/32/41/03/492324103.db2.gz JYQLKEPVEATYRI-DOTOQJQBSA-N 2 0 350.507 0.968 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000627502782 492326087 /nfs/dbraw/zinc/32/60/87/492326087.db2.gz MZZFTYPYJRBZQI-MAUKXSAKSA-N 2 0 358.486 0.976 10 0 FCAERP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000647597042 492331771 /nfs/dbraw/zinc/33/17/71/492331771.db2.gz FKXGFEGYGHWUHW-HZPDHXFCSA-N 3 0 367.538 0.295 10 0 FCAERP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000620910778 492343298 /nfs/dbraw/zinc/34/32/98/492343298.db2.gz YJPJXTWPPFERRN-DLBZAZTESA-N 2 0 350.507 0.478 10 0 FCAERP CC(C)NC(=O)CN(C)CC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620915934 492344681 /nfs/dbraw/zinc/34/46/81/492344681.db2.gz QLVOWYXZPSJXBU-INIZCTEOSA-N 2 0 368.522 0.545 10 0 FCAERP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000642305593 492349688 /nfs/dbraw/zinc/34/96/88/492349688.db2.gz NBARFBQTAARCPZ-YJBOKZPZSA-N 2 0 374.485 0.473 10 0 FCAERP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CC3(O)CCOCC3)cn2)CC1 ZINC000634645952 492358567 /nfs/dbraw/zinc/35/85/67/492358567.db2.gz WEQFQMOLLXUSRA-KRWDZBQOSA-N 2 0 364.490 0.216 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@@H]3C2)C1 ZINC000655115965 492404996 /nfs/dbraw/zinc/40/49/96/492404996.db2.gz SRHLGFSZNOCAHA-USTZCAOPSA-N 2 0 362.518 0.587 10 0 FCAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)CC2 ZINC000642959817 492407221 /nfs/dbraw/zinc/40/72/21/492407221.db2.gz BQCNAZNHHJXZDF-FZKCQIBNSA-N 2 0 366.506 0.689 10 0 FCAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000642960213 492407247 /nfs/dbraw/zinc/40/72/47/492407247.db2.gz VXTGFIVSQUAHKD-QAPCUYQASA-N 2 0 358.486 0.963 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1F ZINC000621839168 492422157 /nfs/dbraw/zinc/42/21/57/492422157.db2.gz OQHKOIZARFIHJP-HNAYVOBHSA-N 2 0 362.449 0.843 10 0 FCAERP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)C1 ZINC000622004778 492439078 /nfs/dbraw/zinc/43/90/78/492439078.db2.gz UYJQLUUCKJSUFL-BBRMVZONSA-N 2 0 351.472 0.443 10 0 FCAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000643470186 492471692 /nfs/dbraw/zinc/47/16/92/492471692.db2.gz GAPNDDYVPVXWFB-OAHLLOKOSA-N 2 0 350.507 0.968 10 0 FCAERP CC[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[C@H]1[NH3+] ZINC000643487024 492478881 /nfs/dbraw/zinc/47/88/81/492478881.db2.gz WSYZMIRCIRNILZ-IAGOWNOFSA-N 2 0 350.507 0.907 10 0 FCAERP CC[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[C@@H]1[NH3+] ZINC000643487026 492479212 /nfs/dbraw/zinc/47/92/12/492479212.db2.gz WSYZMIRCIRNILZ-SJORKVTESA-N 2 0 350.507 0.907 10 0 FCAERP CN1CC[NH+](CC2CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)CC1 ZINC000655915779 492487429 /nfs/dbraw/zinc/48/74/29/492487429.db2.gz XTXHNXDPGMVUQK-CYBMUJFWSA-N 2 0 351.417 0.545 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655913353 492487606 /nfs/dbraw/zinc/48/76/06/492487606.db2.gz HAUXPNBNIKBTGR-GFCCVEGCSA-N 2 0 360.384 0.522 10 0 FCAERP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000649102143 492500773 /nfs/dbraw/zinc/50/07/73/492500773.db2.gz VOOWTWYCZXLSJM-QRVBRYPASA-N 2 0 372.513 0.858 10 0 FCAERP C[C@@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635810908 492508239 /nfs/dbraw/zinc/50/82/39/492508239.db2.gz DTSUJQCMQAWMIU-ZACQAIPSSA-N 2 0 350.507 0.729 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000649234657 492514145 /nfs/dbraw/zinc/51/41/45/492514145.db2.gz KDWKLCKMDXVHGZ-GOEBONIOSA-N 2 0 368.547 0.782 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656068271 492530943 /nfs/dbraw/zinc/53/09/43/492530943.db2.gz SYWDGXQLIUDNRE-OWCLPIDISA-N 2 0 354.495 0.012 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000656075123 492535287 /nfs/dbraw/zinc/53/52/87/492535287.db2.gz AYZMFNMFDPJADT-ZACQAIPSSA-N 2 0 366.506 0.014 10 0 FCAERP Cn1cnc2c1c(=O)n(CCC[N@H+](C1CC1)C1CC[NH2+]CC1)c(=O)n2C ZINC000649409012 492550887 /nfs/dbraw/zinc/55/08/87/492550887.db2.gz WPZWZBARJCZMHS-UHFFFAOYSA-N 2 0 360.462 0.040 10 0 FCAERP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000649418289 492553186 /nfs/dbraw/zinc/55/31/86/492553186.db2.gz XCQNWWGCSXMWTC-YESZJQIVSA-N 2 0 358.490 0.445 10 0 FCAERP C[NH+](C)CCN1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000649685275 492570981 /nfs/dbraw/zinc/57/09/81/492570981.db2.gz VGCWSLLNLAAJRY-UHFFFAOYSA-N 2 0 373.545 0.905 10 0 FCAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000629528586 492638816 /nfs/dbraw/zinc/63/88/16/492638816.db2.gz DBWKARLSTNESNS-HNNXBMFYSA-N 2 0 371.503 0.594 10 0 FCAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000629566359 492646308 /nfs/dbraw/zinc/64/63/08/492646308.db2.gz JIGYRQYOCFSUPR-OAHLLOKOSA-N 2 0 366.462 0.120 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1=O ZINC000650729651 492664900 /nfs/dbraw/zinc/66/49/00/492664900.db2.gz WPIUWMAMISACRJ-UHFFFAOYSA-N 2 0 361.490 0.534 10 0 FCAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650730862 492665139 /nfs/dbraw/zinc/66/51/39/492665139.db2.gz JLMVJWACMREFBJ-HOTGVXAUSA-N 2 0 353.511 0.522 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000629787841 492671755 /nfs/dbraw/zinc/67/17/55/492671755.db2.gz JOGZEPZUIUYFRZ-UHFFFAOYSA-N 2 0 354.495 0.158 10 0 FCAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000629800615 492678446 /nfs/dbraw/zinc/67/84/46/492678446.db2.gz XKLQAKUAZJCJPG-LZQZEXGQSA-N 2 0 350.507 0.635 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000629800201 492678455 /nfs/dbraw/zinc/67/84/55/492678455.db2.gz XQLKLXXRRZFTJY-INIZCTEOSA-N 2 0 354.495 0.158 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000629802918 492680328 /nfs/dbraw/zinc/68/03/28/492680328.db2.gz AGRLIGRNUAYYBI-OAHLLOKOSA-N 2 0 352.479 0.040 10 0 FCAERP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000629815971 492687486 /nfs/dbraw/zinc/68/74/86/492687486.db2.gz CKINMDGANZDOOJ-MRXNPFEDSA-N 2 0 366.506 0.158 10 0 FCAERP CCCNC(=O)CN1CCC(NC(=O)Cc2cn3c(n2)CCCC3)CC1 ZINC000651098478 492707315 /nfs/dbraw/zinc/70/73/15/492707315.db2.gz UMCDGTWRCWNYMY-UHFFFAOYSA-N 2 0 361.490 0.869 10 0 FCAERP Cc1cnn(C)c1NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000657542814 492759009 /nfs/dbraw/zinc/75/90/09/492759009.db2.gz QWEPFHXCLJPJAB-UHFFFAOYSA-N 2 0 352.483 0.399 10 0 FCAERP Cc1cn(C)nc1NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000657540927 492759049 /nfs/dbraw/zinc/75/90/49/492759049.db2.gz JPDAQIGEPCTLNZ-UHFFFAOYSA-N 2 0 352.483 0.399 10 0 FCAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000631064765 492796110 /nfs/dbraw/zinc/79/61/10/492796110.db2.gz SPVGNJOAIRPUAM-IRXDYDNUSA-N 2 0 350.511 0.678 10 0 FCAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000631064761 492796367 /nfs/dbraw/zinc/79/63/67/492796367.db2.gz SPVGNJOAIRPUAM-DLBZAZTESA-N 2 0 350.511 0.678 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889309 492870504 /nfs/dbraw/zinc/87/05/04/492870504.db2.gz IGFKONVQCJPFTO-KSZLIROESA-N 2 0 352.523 0.533 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000631918761 492884034 /nfs/dbraw/zinc/88/40/34/492884034.db2.gz LQTMXVMNPYPITD-SJORKVTESA-N 2 0 359.536 0.939 10 0 FCAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631920811 492884471 /nfs/dbraw/zinc/88/44/71/492884471.db2.gz GZFKCLDREXQPEB-CALCHBBNSA-N 2 0 360.568 0.806 10 0 FCAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000645272584 492886427 /nfs/dbraw/zinc/88/64/27/492886427.db2.gz JGKOOESDYIVYAL-JKSUJKDBSA-N 2 0 353.511 0.726 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000631940991 492892817 /nfs/dbraw/zinc/89/28/17/492892817.db2.gz LGVXVGVPVJMMAP-PVAVHDDUSA-N 2 0 371.478 0.427 10 0 FCAERP [NH3+]CC1(CCNC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000652231706 492897256 /nfs/dbraw/zinc/89/72/56/492897256.db2.gz CYNXIOHUWZDDMJ-GJZGRUSLSA-N 2 0 351.495 0.405 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000645352526 492897835 /nfs/dbraw/zinc/89/78/35/492897835.db2.gz BUVOLNBWGXDIJP-HUUCEWRRSA-N 2 0 353.511 0.868 10 0 FCAERP Cc1ccc(C[N@@H+]2CC[C@H](NS(=O)(=O)C[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000631981983 492903256 /nfs/dbraw/zinc/90/32/56/492903256.db2.gz LJRXPFFOWXIRNQ-IRXDYDNUSA-N 2 0 353.488 0.477 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000652291992 492907821 /nfs/dbraw/zinc/90/78/21/492907821.db2.gz RFHIKBOCDUIWTF-SFHVURJKSA-N 2 0 373.501 0.759 10 0 FCAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000652348978 492913723 /nfs/dbraw/zinc/91/37/23/492913723.db2.gz XVMGLLUQTJKSQH-FRQCXROJSA-N 3 0 364.534 0.948 10 0 FCAERP C[C@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)[C@H]1CC[NH3+] ZINC000652354531 492915137 /nfs/dbraw/zinc/91/51/37/492915137.db2.gz BIVXLUWICFFOQM-KBPBESRZSA-N 2 0 362.478 0.273 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658522284 492925487 /nfs/dbraw/zinc/92/54/87/492925487.db2.gz NXPBSVCMFIQSSP-INIZCTEOSA-N 2 0 354.495 0.110 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC000658529656 492930906 /nfs/dbraw/zinc/93/09/06/492930906.db2.gz FSQJYEUPUJQFJX-JKSUJKDBSA-N 2 0 354.495 0.108 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000645622606 492944844 /nfs/dbraw/zinc/94/48/44/492944844.db2.gz LMVCEJWQXJXKSV-ZBFHGGJFSA-N 2 0 374.489 0.641 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000645621408 492945007 /nfs/dbraw/zinc/94/50/07/492945007.db2.gz UXVXLGOLJGJVKS-PBHICJAKSA-N 2 0 360.458 0.728 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000652666580 492982531 /nfs/dbraw/zinc/98/25/31/492982531.db2.gz LWWXGOREXUMMNH-MGPQQGTHSA-N 2 0 368.503 0.289 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000658632552 492987130 /nfs/dbraw/zinc/98/71/30/492987130.db2.gz AXZNPGGYLBYRBA-GOSISDBHSA-N 2 0 358.486 0.739 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000652684392 492989798 /nfs/dbraw/zinc/98/97/98/492989798.db2.gz MTQRWLAWCLFJHF-QGZVFWFLSA-N 2 0 358.486 0.870 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000652714319 492997906 /nfs/dbraw/zinc/99/79/06/492997906.db2.gz IJRKYIWJVYJIMD-ZWKOTPCHSA-N 2 0 370.497 0.965 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000658674327 493002426 /nfs/dbraw/zinc/00/24/26/493002426.db2.gz WSYJVTWFQKFSHA-KDURUIRLSA-N 2 0 370.497 0.597 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1=O ZINC000652734666 493011610 /nfs/dbraw/zinc/01/16/10/493011610.db2.gz SIKIIQRCWPFJBW-INIZCTEOSA-N 2 0 350.507 0.873 10 0 FCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CC[NH+]3C(C)(C)C)CC[C@@H]21 ZINC000658705671 493019381 /nfs/dbraw/zinc/01/93/81/493019381.db2.gz KHHMCSZKOSMRIY-OAGGEKHMSA-N 2 0 350.507 0.918 10 0 FCAERP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000626795281 493020530 /nfs/dbraw/zinc/02/05/30/493020530.db2.gz RDWZGYIBDMRWAO-HZPDHXFCSA-N 2 0 358.442 0.850 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626816854 493025953 /nfs/dbraw/zinc/02/59/53/493025953.db2.gz SBXMSAPKDLJQFJ-AWEZNQCLSA-N 2 0 360.458 0.907 10 0 FCAERP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626829162 493028831 /nfs/dbraw/zinc/02/88/31/493028831.db2.gz SUJLXBIJDQOVHF-AWEZNQCLSA-N 2 0 360.458 0.955 10 0 FCAERP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658736115 493035836 /nfs/dbraw/zinc/03/58/36/493035836.db2.gz CUTOFMMCDNBWTF-INIZCTEOSA-N 2 0 368.522 0.498 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000626869430 493042575 /nfs/dbraw/zinc/04/25/75/493042575.db2.gz CXNWZVVERHEAIH-UHFFFAOYSA-N 2 0 362.474 0.963 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658757676 493043428 /nfs/dbraw/zinc/04/34/28/493043428.db2.gz MWNSOBKVZLRLCN-HOTGVXAUSA-N 2 0 354.495 0.108 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626890429 493052366 /nfs/dbraw/zinc/05/23/66/493052366.db2.gz LSFGJRKRMREXLA-KGLIPLIRSA-N 2 0 362.478 0.735 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C[NH2+]1 ZINC000626894070 493054054 /nfs/dbraw/zinc/05/40/54/493054054.db2.gz VPBOUZQBVYEHAC-GXTWGEPZSA-N 2 0 366.437 0.961 10 0 FCAERP CCN(C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658800836 493059088 /nfs/dbraw/zinc/05/90/88/493059088.db2.gz AYPAGVPYOSRXSI-MRXNPFEDSA-N 2 0 368.522 0.498 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000626912083 493060833 /nfs/dbraw/zinc/06/08/33/493060833.db2.gz ULFAPWYRFWIFSE-SMDDNHRTSA-N 2 0 352.410 0.571 10 0 FCAERP CCN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1CC[N@H+](C)C1 ZINC000658803189 493061903 /nfs/dbraw/zinc/06/19/03/493061903.db2.gz NVKLHIFKELBXAC-HOTGVXAUSA-N 2 0 354.495 0.108 10 0 FCAERP C[NH+]1CCN(c2cc(CNC(=O)NCC3([NH3+])CCOCC3)ccn2)CC1 ZINC000626931437 493066552 /nfs/dbraw/zinc/06/65/52/493066552.db2.gz FTLXNUDVHWMDPM-UHFFFAOYSA-N 2 0 362.478 0.141 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000626966536 493071346 /nfs/dbraw/zinc/07/13/46/493071346.db2.gz WXFNFJPZKAKHDA-DLBZAZTESA-N 2 0 361.490 0.918 10 0 FCAERP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)cc1 ZINC000653148203 493078032 /nfs/dbraw/zinc/07/80/32/493078032.db2.gz ROLFBJKVOIKSOK-PXNSSMCTSA-N 2 0 359.470 0.966 10 0 FCAERP CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000627117962 493090630 /nfs/dbraw/zinc/09/06/30/493090630.db2.gz MZZGIBSXTQTTKO-SFHVURJKSA-N 2 0 363.506 0.467 10 0 FCAERP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000627117902 493091091 /nfs/dbraw/zinc/09/10/91/493091091.db2.gz LVFZMWBRRLDCMK-GOSISDBHSA-N 2 0 363.506 0.419 10 0 FCAERP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000627175527 493100829 /nfs/dbraw/zinc/10/08/29/493100829.db2.gz UBJGVMQXBDOVKX-MSOLQXFVSA-N 2 0 364.490 0.405 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCO1 ZINC000658926873 493112003 /nfs/dbraw/zinc/11/20/03/493112003.db2.gz IADHHJJQGLDILQ-HOTGVXAUSA-N 2 0 368.522 0.545 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCO1 ZINC000658926595 493112234 /nfs/dbraw/zinc/11/22/34/493112234.db2.gz DKWSIUGYBCLKAP-APWZRJJASA-N 2 0 366.506 0.110 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000633081040 493117274 /nfs/dbraw/zinc/11/72/74/493117274.db2.gz BVOGVKICVSEQCZ-GDBMZVCRSA-N 2 0 364.465 0.769 10 0 FCAERP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000633093663 493122742 /nfs/dbraw/zinc/12/27/42/493122742.db2.gz VSFISNDHZGUMDU-HNNXBMFYSA-N 2 0 354.495 0.022 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)CCCCC(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000646919854 493126034 /nfs/dbraw/zinc/12/60/34/493126034.db2.gz MDZJCLXDMZCGHI-USTZCAOPSA-N 2 0 362.518 0.872 10 0 FCAERP C[C@H](C(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)[C@H](C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000646917886 493126477 /nfs/dbraw/zinc/12/64/77/493126477.db2.gz JKSYSRWTCNUDMI-WEVKCVHISA-N 2 0 362.518 0.584 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000633106429 493129084 /nfs/dbraw/zinc/12/90/84/493129084.db2.gz JMAVKLXQNZEFQV-MRXNPFEDSA-N 2 0 366.506 0.430 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)c1cccs1 ZINC000627290032 493135693 /nfs/dbraw/zinc/13/56/93/493135693.db2.gz BLLPBSKMQCBIHW-GFCCVEGCSA-N 2 0 354.476 0.091 10 0 FCAERP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297078 493139224 /nfs/dbraw/zinc/13/92/24/493139224.db2.gz BCDMYEIUCBSERC-HUUCEWRRSA-N 2 0 366.506 0.380 10 0 FCAERP C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659077318 493141973 /nfs/dbraw/zinc/14/19/73/493141973.db2.gz OPMOXFZVLFMJHN-QGZVFWFLSA-N 2 0 358.442 0.664 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C[NH2+]1 ZINC000627306194 493144363 /nfs/dbraw/zinc/14/43/63/493144363.db2.gz RYGGHZKQKDDMPN-IWCQGFGOSA-N 2 0 366.506 0.127 10 0 FCAERP CN(CCOCC[NH3+])C(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000627309510 493144728 /nfs/dbraw/zinc/14/47/28/493144728.db2.gz SYBMLXKOMHMXRX-UHFFFAOYSA-N 2 0 362.474 0.332 10 0 FCAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627311498 493145508 /nfs/dbraw/zinc/14/55/08/493145508.db2.gz ABOWCUPMFNWAPX-KFWWJZLASA-N 2 0 354.495 0.093 10 0 FCAERP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)C2)C1 ZINC000659084452 493145893 /nfs/dbraw/zinc/14/58/93/493145893.db2.gz ZLBHLZOKYZVYCO-PXNSSMCTSA-N 2 0 372.469 0.840 10 0 FCAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627312191 493146884 /nfs/dbraw/zinc/14/68/84/493146884.db2.gz RSUKQTDYXQNJQH-CQSZACIVSA-N 2 0 354.495 0.237 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000627313652 493147795 /nfs/dbraw/zinc/14/77/95/493147795.db2.gz KASOCOKTZCBHNH-LSDHHAIUSA-N 2 0 368.547 0.721 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627315056 493148613 /nfs/dbraw/zinc/14/86/13/493148613.db2.gz USQWVKMJFQNQRE-MRXNPFEDSA-N 2 0 366.506 0.393 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000627325819 493154401 /nfs/dbraw/zinc/15/44/01/493154401.db2.gz VKDLAMMNSKPWJL-SQWLQELKSA-N 2 0 364.515 0.943 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659109013 493157629 /nfs/dbraw/zinc/15/76/29/493157629.db2.gz XEPAYOCHDWVFLZ-ZIAGYGMSSA-N 2 0 366.441 0.376 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000627333228 493157826 /nfs/dbraw/zinc/15/78/26/493157826.db2.gz YNPAMBMYPLGRBT-CEXWTWQISA-N 2 0 372.513 0.924 10 0 FCAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627334858 493158483 /nfs/dbraw/zinc/15/84/83/493158483.db2.gz CNUDSAUYIVAILM-VKJFTORMSA-N 2 0 373.501 0.980 10 0 FCAERP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000659113363 493160031 /nfs/dbraw/zinc/16/00/31/493160031.db2.gz FDZATBIEBZJNAY-QGZVFWFLSA-N 2 0 362.474 0.961 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000659112910 493160585 /nfs/dbraw/zinc/16/05/85/493160585.db2.gz ATTTXFNGBVCYRK-QGZVFWFLSA-N 2 0 360.458 0.798 10 0 FCAERP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000627342551 493163595 /nfs/dbraw/zinc/16/35/95/493163595.db2.gz JBDUQVYVRNFWBB-GOEBONIOSA-N 2 0 364.490 0.004 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCCN1CCc3ccccc3C1)C2 ZINC000627350856 493169058 /nfs/dbraw/zinc/16/90/58/493169058.db2.gz CYJITVBVCNJWDV-OYRHEFFESA-N 2 0 370.497 0.619 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000627357496 493174648 /nfs/dbraw/zinc/17/46/48/493174648.db2.gz HTYVGBXJCQCFMB-MAUKXSAKSA-N 2 0 358.486 0.808 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC12CC(C1)C[NH2+]2 ZINC000659444690 493180413 /nfs/dbraw/zinc/18/04/13/493180413.db2.gz GZHVGQPHIKATIX-UHFFFAOYSA-N 3 0 358.490 0.645 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627366872 493181192 /nfs/dbraw/zinc/18/11/92/493181192.db2.gz DQQUSMLKAYKOQH-CIRFHOKZSA-N 2 0 358.486 0.880 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627367148 493181937 /nfs/dbraw/zinc/18/19/37/493181937.db2.gz LPQGYFZFBASCEI-RDJZCZTQSA-N 2 0 362.474 0.105 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627367447 493182538 /nfs/dbraw/zinc/18/25/38/493182538.db2.gz UNTCXOOECPEQSH-SPUZQDLCSA-N 2 0 358.486 0.880 10 0 FCAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000659370273 493197917 /nfs/dbraw/zinc/19/79/17/493197917.db2.gz VSJSHUDDWUZXRR-WBVHZDCISA-N 2 0 356.430 0.943 10 0 FCAERP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)CCCC2)CC1 ZINC000627393197 493200465 /nfs/dbraw/zinc/20/04/65/493200465.db2.gz QTXLLRFGAMDYTA-GOEBONIOSA-N 2 0 366.506 0.393 10 0 FCAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627394235 493201773 /nfs/dbraw/zinc/20/17/73/493201773.db2.gz AXXUZJBSNXBVHR-ZOCIIQOWSA-N 2 0 350.507 0.681 10 0 FCAERP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+]2CCCC2)cc1 ZINC000627397925 493202203 /nfs/dbraw/zinc/20/22/03/493202203.db2.gz ZBRIKTJCAYPSRI-QGTPRVQTSA-N 2 0 374.485 0.815 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000627417613 493209187 /nfs/dbraw/zinc/20/91/87/493209187.db2.gz CKGFOJILXFJOAB-CVEARBPZSA-N 2 0 366.506 0.204 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000627419022 493209959 /nfs/dbraw/zinc/20/99/59/493209959.db2.gz KETGLMYQEATWEF-UHFFFAOYSA-N 2 0 364.490 0.126 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C[NH2+]1 ZINC000627425830 493213923 /nfs/dbraw/zinc/21/39/23/493213923.db2.gz AOURFLPFGAQXDD-MAUKXSAKSA-N 2 0 373.501 0.667 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639701 493222752 /nfs/dbraw/zinc/22/27/52/493222752.db2.gz FDJXIWUFDKJWIS-CVEARBPZSA-N 2 0 367.538 0.118 10 0 FCAERP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000667014786 493249064 /nfs/dbraw/zinc/24/90/64/493249064.db2.gz ZOEZMIFLKQABCA-UHFFFAOYSA-N 2 0 362.474 0.650 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000659691526 493255984 /nfs/dbraw/zinc/25/59/84/493255984.db2.gz YJYMFIHUPYYLHY-GNZRSQJKSA-N 2 0 356.470 0.635 10 0 FCAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659703523 493263541 /nfs/dbraw/zinc/26/35/41/493263541.db2.gz CBUDDPAIQIFYSH-DOTOQJQBSA-N 2 0 362.518 0.825 10 0 FCAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659711134 493266834 /nfs/dbraw/zinc/26/68/34/493266834.db2.gz XABWWWUNWDNYGY-RCCFBDPRSA-N 2 0 362.518 0.968 10 0 FCAERP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659718609 493270225 /nfs/dbraw/zinc/27/02/25/493270225.db2.gz QFUSVAVWYBYHQE-MRXNPFEDSA-N 2 0 368.522 0.483 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000659717951 493270334 /nfs/dbraw/zinc/27/03/34/493270334.db2.gz MAVAIGMNLNHSLU-ARFHVFGLSA-N 2 0 354.495 0.189 10 0 FCAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000682182889 493275872 /nfs/dbraw/zinc/27/58/72/493275872.db2.gz LWYFZTVPNHVIIA-AWEZNQCLSA-N 2 0 364.494 0.572 10 0 FCAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000659740568 493281221 /nfs/dbraw/zinc/28/12/21/493281221.db2.gz IAJQXZZGLRUSCW-APWZRJJASA-N 2 0 350.507 0.825 10 0 FCAERP CN(C(=O)C(=O)NCC12CC(C1)C[NH2+]2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000659744410 493282540 /nfs/dbraw/zinc/28/25/40/493282540.db2.gz VEKYHWIDWGLPQU-UHFFFAOYSA-N 2 0 370.497 0.978 10 0 FCAERP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000682352113 493293501 /nfs/dbraw/zinc/29/35/01/493293501.db2.gz HKLWEBJAOMIQRY-AWEZNQCLSA-N 2 0 350.467 0.372 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000673326088 493317043 /nfs/dbraw/zinc/31/70/43/493317043.db2.gz GNNPQVMMVXBRNX-NJAFHUGGSA-N 2 0 358.486 0.976 10 0 FCAERP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668510991 493367893 /nfs/dbraw/zinc/36/78/93/493367893.db2.gz DINARJFLUJUAIQ-INIZCTEOSA-N 2 0 367.538 0.119 10 0 FCAERP CCN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@H]1CC[N@H+](CC)C1 ZINC000668511956 493368050 /nfs/dbraw/zinc/36/80/50/493368050.db2.gz LDYSMZNTUWEPET-INIZCTEOSA-N 2 0 354.495 0.158 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000668538390 493372967 /nfs/dbraw/zinc/37/29/67/493372967.db2.gz ZSFNOMUCPFLJSZ-KRWDZBQOSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C[NH+]1CCCC1 ZINC000668581979 493378696 /nfs/dbraw/zinc/37/86/96/493378696.db2.gz OYZRHGPFWDPFTD-SJORKVTESA-N 2 0 368.522 0.404 10 0 FCAERP CC[NH+]1CCC(CNC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000668636470 493387953 /nfs/dbraw/zinc/38/79/53/493387953.db2.gz USZYFAAPMKVKQZ-QGZVFWFLSA-N 2 0 368.522 0.404 10 0 FCAERP CCN(C(=O)C(=O)NC[C@@H]1CCC[NH+]1CCOC)[C@H]1CC[N@H+](CC)C1 ZINC000668787038 493410475 /nfs/dbraw/zinc/41/04/75/493410475.db2.gz MPHXJMWRAAYLJD-HOTGVXAUSA-N 2 0 354.495 0.156 10 0 FCAERP C[C@H](CC[N@@H+]1CC[C@@H](Cn2ccnn2)C1)[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661146160 493411567 /nfs/dbraw/zinc/41/15/67/493411567.db2.gz RXFGWNBBVQGNCU-KURKYZTESA-N 2 0 358.494 0.992 10 0 FCAERP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000661222421 493419434 /nfs/dbraw/zinc/41/94/34/493419434.db2.gz VTQWHKJFQQLCGG-OLMNPRSZSA-N 2 0 353.507 0.885 10 0 FCAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668933537 493440366 /nfs/dbraw/zinc/44/03/66/493440366.db2.gz HJIGUJBIPARCCP-DOTOQJQBSA-N 2 0 366.506 0.035 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CCO1 ZINC000669026709 493453615 /nfs/dbraw/zinc/45/36/15/493453615.db2.gz JDYXSEPOJFKIKT-HNNXBMFYSA-N 2 0 354.495 0.156 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)[C@@H](C)C1 ZINC000685310628 493474611 /nfs/dbraw/zinc/47/46/11/493474611.db2.gz XYGVWEVIWCDFGC-DIECFANBSA-N 2 0 350.507 0.774 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000669274861 493488146 /nfs/dbraw/zinc/48/81/46/493488146.db2.gz UTYRIFAHZRVIRN-ZACQAIPSSA-N 2 0 366.506 0.033 10 0 FCAERP c1ccc(N2CC[NH+](C[C@H]3CCCN(C[C@H]4C[NH2+]CCO4)C3)CC2)nc1 ZINC000662264648 493501787 /nfs/dbraw/zinc/50/17/87/493501787.db2.gz RYQAOASYXQLWSJ-RTBURBONSA-N 2 0 359.518 0.904 10 0 FCAERP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cn1 ZINC000662476897 493519165 /nfs/dbraw/zinc/51/91/65/493519165.db2.gz VLEZUQATYSHVGI-KRWDZBQOSA-N 2 0 370.457 0.734 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)cn1 ZINC000676091389 493523669 /nfs/dbraw/zinc/52/36/69/493523669.db2.gz JQVVBWVZMHOHQA-UHFFFAOYSA-N 2 0 350.467 0.183 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cn1 ZINC000676094202 493523694 /nfs/dbraw/zinc/52/36/94/493523694.db2.gz DYXXOKABBTZKFH-MRXNPFEDSA-N 2 0 362.478 0.470 10 0 FCAERP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662615286 493527870 /nfs/dbraw/zinc/52/78/70/493527870.db2.gz YUUSLSLZNUCPGN-KRWDZBQOSA-N 2 0 366.506 0.252 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662683616 493531666 /nfs/dbraw/zinc/53/16/66/493531666.db2.gz QUMKOEPQRZWZRS-HNNXBMFYSA-N 2 0 350.467 0.435 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662709752 493533885 /nfs/dbraw/zinc/53/38/85/493533885.db2.gz AVCRQTINANSANJ-INIZCTEOSA-N 2 0 364.494 0.823 10 0 FCAERP [NH3+]C1(C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC2(CCC2)C1 ZINC000662815085 493544286 /nfs/dbraw/zinc/54/42/86/493544286.db2.gz HFOJWGLLDBAICW-HUUCEWRRSA-N 2 0 361.490 0.395 10 0 FCAERP CN(C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662930439 493555310 /nfs/dbraw/zinc/55/53/10/493555310.db2.gz QMTIMWFQHQDBMH-WMZOPIPTSA-N 2 0 362.518 0.920 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000662939141 493556681 /nfs/dbraw/zinc/55/66/81/493556681.db2.gz CIBJFQKVSNUUQO-IBGZPJMESA-N 2 0 358.486 0.980 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CCOC3)CC2)C1 ZINC000677718752 493613982 /nfs/dbraw/zinc/61/39/82/493613982.db2.gz IBCOTOVLXMLQKQ-QGZVFWFLSA-N 2 0 353.507 0.962 10 0 FCAERP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000664506405 493664274 /nfs/dbraw/zinc/66/42/74/493664274.db2.gz XMNLOIFIVBKZLP-UHFFFAOYSA-N 2 0 355.527 0.768 10 0 FCAERP CN1C[C@@H]2[C@@H](CCC[NH+]2C/C=C\C[N@H+]2CCC[C@H]3C(=O)N(C)C[C@H]32)C1=O ZINC000671501749 493677673 /nfs/dbraw/zinc/67/76/73/493677673.db2.gz QVNFJSSBFCYPEO-WPDRWPSHSA-N 2 0 360.502 0.648 10 0 FCAERP CCOC1CC(CNC(=O)N(CC)[C@@H]2CC[N@H+](C)C2)(N2CCOCC2)C1 ZINC000664767646 493682787 /nfs/dbraw/zinc/68/27/87/493682787.db2.gz WYWFYAGLLFWHDB-LRYGQEGESA-N 2 0 368.522 0.992 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000665287107 493708049 /nfs/dbraw/zinc/70/80/49/493708049.db2.gz BREGFAXLJZFHLE-HOTGVXAUSA-N 2 0 359.536 0.922 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000672165416 493739484 /nfs/dbraw/zinc/73/94/84/493739484.db2.gz XKJJVEHZTLYIPN-SJORKVTESA-N 2 0 366.506 0.300 10 0 FCAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000672165026 493739606 /nfs/dbraw/zinc/73/96/06/493739606.db2.gz ICJMYSAYOGKNQE-CVEARBPZSA-N 2 0 354.495 0.204 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413100125 528265106 /nfs/dbraw/zinc/26/51/06/528265106.db2.gz FGXOOKKACMYLCN-QGZVFWFLSA-N 2 0 369.554 0.813 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000419155764 535076751 /nfs/dbraw/zinc/07/67/51/535076751.db2.gz RUAZOUSSJYNABL-YESZJQIVSA-N 2 0 350.507 0.824 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419505843 535330028 /nfs/dbraw/zinc/33/00/28/535330028.db2.gz VYEBNCPGACOOGJ-SJORKVTESA-N 2 0 370.538 0.972 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000418859903 535444941 /nfs/dbraw/zinc/44/49/41/535444941.db2.gz CCTIKFXYMHMETE-ULQDDVLXSA-N 2 0 350.507 0.810 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000419848023 535661308 /nfs/dbraw/zinc/66/13/08/535661308.db2.gz JYKXCVNJYZDKIO-QGZVFWFLSA-N 2 0 361.490 0.620 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1F ZINC000415626672 535907312 /nfs/dbraw/zinc/90/73/12/535907312.db2.gz UOJPKQISCOULNF-CYBMUJFWSA-N 2 0 366.437 0.963 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)ccc1F ZINC000418972992 535987325 /nfs/dbraw/zinc/98/73/25/535987325.db2.gz ZNGZCJKKHIGIEJ-UHFFFAOYSA-N 2 0 350.438 0.701 10 0 FCAERP C[C@@H](CNC(=O)Nc1cnn(CC[NH+](C)C)c1)C[NH+]1CCN(C)CC1 ZINC000080173399 546568646 /nfs/dbraw/zinc/56/86/46/546568646.db2.gz XDBRMGVBOPMSGK-HNNXBMFYSA-N 2 0 351.499 0.450 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000551024794 547120660 /nfs/dbraw/zinc/12/06/60/547120660.db2.gz XOCORFHKCUMYOU-CVEARBPZSA-N 2 0 354.495 0.062 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000551472612 547147339 /nfs/dbraw/zinc/14/73/39/547147339.db2.gz WKPTWBYVPJENKX-HOTGVXAUSA-N 2 0 354.495 0.062 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000553278280 547266440 /nfs/dbraw/zinc/26/64/40/547266440.db2.gz NGQONKNHYOLTPB-INIZCTEOSA-N 2 0 354.495 0.014 10 0 FCAERP C[NH2+]CCC1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000261990900 663453376 /nfs/dbraw/zinc/45/33/76/663453376.db2.gz LXDYLLHYSZZMEM-GOSISDBHSA-N 3 0 354.539 0.781 10 0 FCAERP C[N@@H+]1CCC[C@](O)(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000899957103 665968777 /nfs/dbraw/zinc/96/87/77/665968777.db2.gz HLOHIJMWFQGPKP-IBGZPJMESA-N 2 0 353.507 0.985 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925154749 665173305 /nfs/dbraw/zinc/17/33/05/665173305.db2.gz ZRUMMVZSTSYSLZ-JKSUJKDBSA-N 3 0 357.568 0.701 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925166255 665176360 /nfs/dbraw/zinc/17/63/60/665176360.db2.gz ZXWXEEYPFKIQIA-XHSDSOJGSA-N 2 0 356.536 0.712 10 0 FCAERP CC(C)[N@H+](CCO)CC1CCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC1 ZINC000910879261 666286800 /nfs/dbraw/zinc/28/68/00/666286800.db2.gz NUIYDHLNEYZSPH-LJQANCHMSA-N 2 0 355.523 0.775 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CCSC1 ZINC000921312093 666434123 /nfs/dbraw/zinc/43/41/23/666434123.db2.gz OXWHQAYBLPKVSR-RDJZCZTQSA-N 2 0 356.536 0.976 10 0 FCAERP CCO[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)C[NH+](C)C ZINC000913998012 666680374 /nfs/dbraw/zinc/68/03/74/666680374.db2.gz DQKZZCGZTOMGCL-DLBZAZTESA-N 2 0 357.543 0.524 10 0 FCAERP O=S(=O)(C[C@@]12CC[NH+](C1)CCC2)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000914156860 666710285 /nfs/dbraw/zinc/71/02/85/666710285.db2.gz IVVQNJABJOCEDA-SJORKVTESA-N 2 0 359.536 0.629 10 0 FCAERP CCO[C@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C[NH+](C)C ZINC000917000864 667043920 /nfs/dbraw/zinc/04/39/20/667043920.db2.gz YQDLGYVIJRWGHQ-MRXNPFEDSA-N 2 0 356.511 0.897 10 0 FCAERP C[C@H]1[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@@H+]1C ZINC000922446065 667653289 /nfs/dbraw/zinc/65/32/89/667653289.db2.gz CUHQNMKQHLCUST-NIOBXDJOSA-N 2 0 351.495 0.462 10 0 FCAERP CCO[C@@H]1C[N@H+](C[C@H](O)COc2ccc(NC(C)=O)cc2)C[C@H]1C[NH3+] ZINC000923385929 667830370 /nfs/dbraw/zinc/83/03/70/667830370.db2.gz FYXMWOQZSDFGGG-UWWQBHOKSA-N 2 0 351.447 0.680 10 0 FCAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCNS(=O)(=O)c1ccccc1)CC2 ZINC000923450584 667837473 /nfs/dbraw/zinc/83/74/73/667837473.db2.gz WFSYPOAVBUNSRT-OAHLLOKOSA-N 2 0 353.488 0.795 10 0 FCAERP Cc1ccc(NC[C@@H](O)C[NH+]2CCN(C)CC2)c(OCC[NH+](C)C)c1 ZINC000819444725 669003627 /nfs/dbraw/zinc/00/36/27/669003627.db2.gz LBKMSPZBOIDXRL-QGZVFWFLSA-N 2 0 350.507 0.956 10 0 FCAERP CC(C)(C)OC(=O)N1CCN(C(=O)CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000795865939 669066478 /nfs/dbraw/zinc/06/64/78/669066478.db2.gz GZXTVIFUZJYRFW-GASCZTMLSA-N 2 0 352.479 0.607 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849522780 671352003 /nfs/dbraw/zinc/35/20/03/671352003.db2.gz OMLHRAHYWFAMMZ-IRXDYDNUSA-N 2 0 351.495 0.492 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849522779 671352175 /nfs/dbraw/zinc/35/21/75/671352175.db2.gz OMLHRAHYWFAMMZ-IAGOWNOFSA-N 2 0 351.495 0.492 10 0 FCAERP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852883094 671528935 /nfs/dbraw/zinc/52/89/35/671528935.db2.gz GRRVEJXNHVFVBZ-ZIAGYGMSSA-N 2 0 354.451 0.356 10 0 FCAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc(Cl)n1 ZINC000852914271 671531798 /nfs/dbraw/zinc/53/17/98/671531798.db2.gz RIYROAUACAWPNF-LSDHHAIUSA-N 2 0 351.882 0.939 10 0 FCAERP C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cccc(OCC[NH+](C)C)c1 ZINC000903282088 675924162 /nfs/dbraw/zinc/92/41/62/675924162.db2.gz SLPZYWBLEMZZSI-QFBILLFUSA-N 2 0 351.491 0.971 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NCCOCCC(C)C)C2 ZINC000903493419 675933397 /nfs/dbraw/zinc/93/33/97/675933397.db2.gz RQPAWBPKYJFCKY-DAYGRLMNSA-N 2 0 355.479 0.378 10 0 FCAERP O=S(=O)(CC[C@@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562598 675945295 /nfs/dbraw/zinc/94/52/95/675945295.db2.gz QBUWVSCJCMFGNL-BBWFWOEESA-N 2 0 357.520 0.786 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903581687 675949236 /nfs/dbraw/zinc/94/92/36/675949236.db2.gz SKTHXVBETGIJSK-CHWSQXEVSA-N 2 0 372.457 0.165 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903581690 675949513 /nfs/dbraw/zinc/94/95/13/675949513.db2.gz SKTHXVBETGIJSK-STQMWFEESA-N 2 0 372.457 0.165 10 0 FCAERP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903591233 675950557 /nfs/dbraw/zinc/95/05/57/675950557.db2.gz KPTWDTHAMWCCBY-MRXNPFEDSA-N 2 0 355.508 0.593 10 0 FCAERP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000861642579 671977257 /nfs/dbraw/zinc/97/72/57/671977257.db2.gz BLRNZDMISXPTCU-MXYBEHONSA-N 2 0 351.451 0.223 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC[C@@H]1C(F)(F)F ZINC000903736680 675965424 /nfs/dbraw/zinc/96/54/24/675965424.db2.gz YTXSHFQZNKKCBQ-RWMBFGLXSA-N 2 0 362.396 0.421 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@@H]1C ZINC000903747121 675966933 /nfs/dbraw/zinc/96/69/33/675966933.db2.gz JOVCAZFLQFDFIG-WUHRBBMRSA-N 2 0 364.412 0.666 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000903750152 675967687 /nfs/dbraw/zinc/96/76/87/675967687.db2.gz HHAFYFSORIJDNE-NDBYEHHHSA-N 2 0 364.412 0.666 10 0 FCAERP C([C@H]1CCCC[NH2+]C1)N1CC[NH2+]CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903765670 675970516 /nfs/dbraw/zinc/97/05/16/675970516.db2.gz JYGCECRZQVZDFG-PMACEKPBSA-N 3 0 351.583 0.973 10 0 FCAERP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000903785119 675973014 /nfs/dbraw/zinc/97/30/14/675973014.db2.gz SAUAMDCSTUXZEI-JKSUJKDBSA-N 2 0 354.495 0.156 10 0 FCAERP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903759244 675969134 /nfs/dbraw/zinc/96/91/34/675969134.db2.gz NGSNVMPGTZAREL-NEPJUHHUSA-N 2 0 350.385 0.277 10 0 FCAERP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903759222 675969166 /nfs/dbraw/zinc/96/91/66/675969166.db2.gz QOQDLHUQMOJXRA-RYUDHWBXSA-N 2 0 364.412 0.667 10 0 FCAERP CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)CC(C)(C)C[NH+]1CCOCC1 ZINC000903898234 675981292 /nfs/dbraw/zinc/98/12/92/675981292.db2.gz MQYFXHJBDOIOQP-INIZCTEOSA-N 2 0 350.511 0.993 10 0 FCAERP O=C(CC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)NC1CCCC1 ZINC000863549586 672136034 /nfs/dbraw/zinc/13/60/34/672136034.db2.gz GUPRRJFCOSRYJC-CVEARBPZSA-N 2 0 350.463 0.692 10 0 FCAERP CCOC(=O)CC1([NH2+]C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCOCC1 ZINC000903933240 675983614 /nfs/dbraw/zinc/98/36/14/675983614.db2.gz MVNMVSFQDAWIRF-OAHLLOKOSA-N 2 0 352.479 0.938 10 0 FCAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1CCCCC(=O)C1=O ZINC000865783050 672250681 /nfs/dbraw/zinc/25/06/81/672250681.db2.gz FMQAVSINNQDBSW-UHFFFAOYSA-N 2 0 354.495 0.300 10 0 FCAERP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)C ZINC000866708495 672290411 /nfs/dbraw/zinc/29/04/11/672290411.db2.gz NXTKFEGVFXPBCT-QXSJWSMHSA-N 2 0 352.479 0.887 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C[C@H]1C ZINC000867514845 672329473 /nfs/dbraw/zinc/32/94/73/672329473.db2.gz QSSQNRCFHARQMM-LTIDMASMSA-N 2 0 350.507 0.870 10 0 FCAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000867542019 672334281 /nfs/dbraw/zinc/33/42/81/672334281.db2.gz ZLWVTWZMUZCGDJ-YESZJQIVSA-N 2 0 350.507 0.729 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)N2CCOC(C)(C)C2)C[C@H]1C[NH+](C)C ZINC000867589006 672343030 /nfs/dbraw/zinc/34/30/30/672343030.db2.gz BCWBHIWUMOQBQH-HUUCEWRRSA-N 2 0 362.540 0.013 10 0 FCAERP COc1cncc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000867589285 672343057 /nfs/dbraw/zinc/34/30/57/672343057.db2.gz FLHZCAKIHXQRNJ-ZIAGYGMSSA-N 2 0 356.492 0.450 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cn3c(n2)CCCC3)C[C@H]1C[NH+](C)C ZINC000867590734 672343618 /nfs/dbraw/zinc/34/36/18/672343618.db2.gz SZCGBGISMGSJKW-HUUCEWRRSA-N 2 0 369.535 0.579 10 0 FCAERP C[C@@H]1[C@H](C)CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H]1C ZINC000867605486 672347033 /nfs/dbraw/zinc/34/70/33/672347033.db2.gz VTSDAPMDPWVKPA-NQNKBUKLSA-N 2 0 352.523 0.687 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000867707124 672357419 /nfs/dbraw/zinc/35/74/19/672357419.db2.gz GKOKPFLAMHCKAA-CVEARBPZSA-N 2 0 350.507 0.872 10 0 FCAERP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C)C(C)(C)CC3)C2)C1 ZINC000867742887 672361151 /nfs/dbraw/zinc/36/11/51/672361151.db2.gz ZKQUNZWMBJASQC-LJQANCHMSA-N 2 0 350.507 0.873 10 0 FCAERP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868358230 672395612 /nfs/dbraw/zinc/39/56/12/672395612.db2.gz FAUYYWAULQSBSV-FGTMMUONSA-N 2 0 351.539 0.996 10 0 FCAERP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000868387594 672397911 /nfs/dbraw/zinc/39/79/11/672397911.db2.gz ORWZUKCQTRNHEZ-OAHLLOKOSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@H]1CCCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)[C@@H]1C[NH3+] ZINC000868390807 672398168 /nfs/dbraw/zinc/39/81/68/672398168.db2.gz QHTVHRBXGVGOOX-JKSUJKDBSA-N 2 0 350.507 0.907 10 0 FCAERP Cn1cc(Br)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870017267 672461369 /nfs/dbraw/zinc/46/13/69/672461369.db2.gz KXLREGAJIGPKIC-VXGBXAGGSA-N 2 0 372.311 0.994 10 0 FCAERP CN(C)[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cncn1C ZINC000870019218 672461681 /nfs/dbraw/zinc/46/16/81/672461681.db2.gz UTNKWZQZWVQCLO-BFYDXBDKSA-N 2 0 350.511 0.221 10 0 FCAERP Cc1occc1C(=O)NCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022370 672462150 /nfs/dbraw/zinc/46/21/50/672462150.db2.gz QTTRIEWMKVRGRM-HUUCEWRRSA-N 2 0 350.463 0.516 10 0 FCAERP C[C@H](CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@H]1CCC[NH2+]C1 ZINC000871000105 672525213 /nfs/dbraw/zinc/52/52/13/672525213.db2.gz SENOWMLCGPANBT-JKJDWNRSSA-N 2 0 350.463 0.406 10 0 FCAERP C[C@@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCCCCC1 ZINC000870999478 672525263 /nfs/dbraw/zinc/52/52/63/672525263.db2.gz OQRHDIDETUTDJQ-JONQDZQNSA-N 2 0 350.463 0.644 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872188739 672598053 /nfs/dbraw/zinc/59/80/53/672598053.db2.gz BPQDMJWRWHLUIW-VOAKCMCISA-N 2 0 364.412 0.381 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000872190717 672599389 /nfs/dbraw/zinc/59/93/89/672599389.db2.gz FBILOXUJMCQEQH-YNEHKIRRSA-N 2 0 364.412 0.382 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)CC[C@H]21 ZINC000872194804 672602816 /nfs/dbraw/zinc/60/28/16/672602816.db2.gz FNVBASUMPBHQAL-YVECIDJPSA-N 2 0 362.396 0.135 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C[C@H]1C[NH3+] ZINC000872195052 672602905 /nfs/dbraw/zinc/60/29/05/672602905.db2.gz HWDIPQUAYCWSHH-HZPDHXFCSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872255913 672608568 /nfs/dbraw/zinc/60/85/68/672608568.db2.gz HZBYNUDXGKVHQQ-UGQVUOCMSA-N 2 0 350.463 0.643 10 0 FCAERP CC[C@H](C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[NH+](CC)CC ZINC000872256024 672608827 /nfs/dbraw/zinc/60/88/27/672608827.db2.gz KDKXPFPXCYKOGB-OAGGEKHMSA-N 2 0 352.479 0.890 10 0 FCAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872304399 672612195 /nfs/dbraw/zinc/61/21/95/672612195.db2.gz WAGJPGOSHILNHV-OAGGEKHMSA-N 2 0 350.463 0.646 10 0 FCAERP CCO[C@@H]1COCC[C@@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875490693 672887497 /nfs/dbraw/zinc/88/74/97/672887497.db2.gz XZUGMQUTFDNWTA-WCXIOVBPSA-N 2 0 356.511 0.561 10 0 FCAERP CCO[C@H]1COCC[C@@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875490690 672887538 /nfs/dbraw/zinc/88/75/38/672887538.db2.gz XZUGMQUTFDNWTA-NCOADZHNSA-N 2 0 356.511 0.561 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C[C@H]1C[NH+](C)C ZINC000875994917 672930263 /nfs/dbraw/zinc/93/02/63/672930263.db2.gz BEOVGSLFNTXLSQ-CFIWVGBUSA-N 2 0 350.507 0.791 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923703632 673735818 /nfs/dbraw/zinc/73/58/18/673735818.db2.gz RQLZLLQIZVUTMO-IUODEOHRSA-N 2 0 357.524 0.667 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)NCCCCCN2CC[NH2+]CC2)cn1 ZINC000926049992 673809916 /nfs/dbraw/zinc/80/99/16/673809916.db2.gz KJMHYTAUTWEJHB-UHFFFAOYSA-N 2 0 351.499 0.642 10 0 FCAERP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1N=NC(=O)N1C ZINC000926134490 673812413 /nfs/dbraw/zinc/81/24/13/673812413.db2.gz ZWUBKAKJFKQIDN-CYBMUJFWSA-N 2 0 355.487 0.497 10 0 FCAERP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC000926314975 673821735 /nfs/dbraw/zinc/82/17/35/673821735.db2.gz MHUWZXGNXOFHEZ-LJQANCHMSA-N 2 0 350.507 0.921 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[C@@H]1C[NH3+] ZINC000926347414 673825260 /nfs/dbraw/zinc/82/52/60/673825260.db2.gz PCAXYINLIRGVQW-LSDHHAIUSA-N 2 0 350.463 0.613 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC[C@H]1C[NH3+] ZINC000926351161 673825824 /nfs/dbraw/zinc/82/58/24/673825824.db2.gz GNKMLXQMWZOPJE-PVAVHDDUSA-N 2 0 350.507 0.620 10 0 FCAERP CCO[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C[NH+](C)C ZINC000926842185 673844991 /nfs/dbraw/zinc/84/49/91/673844991.db2.gz BSYZBSAPYAZUSK-IRXDYDNUSA-N 2 0 356.511 0.707 10 0 FCAERP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000929682024 673971282 /nfs/dbraw/zinc/97/12/82/673971282.db2.gz CWCVVIYJHQMYQK-MRXNPFEDSA-N 2 0 355.523 0.678 10 0 FCAERP 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HDPVDTMBBKASHU-SFHVURJKSA-N 2 0 373.501 0.608 10 0 FCAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC[NH2+]CC1 ZINC000925850791 1211509009 /nfs/dbraw/zinc/50/90/09/1211509009.db2.gz WQEAVTVDRWVKPL-LSDHHAIUSA-N 3 0 367.490 0.583 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000926298180 1211528172 /nfs/dbraw/zinc/52/81/72/1211528172.db2.gz LNYCKRMZVPHACX-HZPDHXFCSA-N 2 0 366.506 0.286 10 0 FCAERP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000926324789 1211531540 /nfs/dbraw/zinc/53/15/40/1211531540.db2.gz YEZJHIBUDBTVHC-INIZCTEOSA-N 2 0 366.506 0.286 10 0 FCAERP CN(C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000926332641 1211532862 /nfs/dbraw/zinc/53/28/62/1211532862.db2.gz LVHAKTWYXMDZTK-JKSUJKDBSA-N 2 0 364.490 0.038 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000926352457 1211538248 /nfs/dbraw/zinc/53/82/48/1211538248.db2.gz ODGNZSFPCUQMCI-BRWVUGGUSA-N 2 0 368.522 0.389 10 0 FCAERP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926365031 1211539671 /nfs/dbraw/zinc/53/96/71/1211539671.db2.gz RTOFEJOEUMFQMS-BEFAXECRSA-N 2 0 366.506 0.035 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000926402425 1211546756 /nfs/dbraw/zinc/54/67/56/1211546756.db2.gz QUPXYCNWZNAPMT-JXFKEZNVSA-N 2 0 371.485 0.863 10 0 FCAERP C[NH+](C)CCOC1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927641853 1211578706 /nfs/dbraw/zinc/57/87/06/1211578706.db2.gz MCZRWQQWPFSYHM-KRWDZBQOSA-N 2 0 368.522 0.992 10 0 FCAERP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3C[NH2+]C[C@H]3C)c2)CC1 ZINC000927808588 1211582497 /nfs/dbraw/zinc/58/24/97/1211582497.db2.gz BKAVUJKWIWFWPW-CRAIPNDOSA-N 2 0 373.501 0.880 10 0 FCAERP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000927813258 1211582818 /nfs/dbraw/zinc/58/28/18/1211582818.db2.gz USUWLVJHDOMWRV-ATNYBXOESA-N 2 0 374.485 0.958 10 0 FCAERP CN(C)c1cc[nH+]c(CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)c1 ZINC000927837365 1211584679 /nfs/dbraw/zinc/58/46/79/1211584679.db2.gz HOOPBEKVXVEJJM-UHFFFAOYSA-N 2 0 369.425 0.885 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc1F ZINC000927851502 1211585560 /nfs/dbraw/zinc/58/55/60/1211585560.db2.gz FGMIQLLASSXATA-HNNXBMFYSA-N 2 0 366.437 0.900 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)C[NH+](C)C ZINC000927866704 1211587330 /nfs/dbraw/zinc/58/73/30/1211587330.db2.gz QRKOSDOPCLTBPW-HNNXBMFYSA-N 2 0 364.446 0.190 10 0 FCAERP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000927886069 1211590291 /nfs/dbraw/zinc/59/02/91/1211590291.db2.gz OVWXPRITUFCCQA-IBGZPJMESA-N 2 0 362.474 0.779 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@@]4(C3)CCCC[NH2+]4)cn2)CC1 ZINC000927931945 1211593390 /nfs/dbraw/zinc/59/33/90/1211593390.db2.gz HTQHGKCNPNZOQE-LJQANCHMSA-N 2 0 374.489 0.833 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+]1CCCCC1 ZINC000929604574 1211649774 /nfs/dbraw/zinc/64/97/74/1211649774.db2.gz DVYZPCWTQLKXHX-IKGGRYGDSA-N 2 0 366.506 0.035 10 0 FCAERP Cn1[nH]c(=O)c2c1C[NH+](C/C=C/C[N@@H+]1CCc3c(=O)[nH]n(C)c3C1)CC2 ZINC000931192692 1211744966 /nfs/dbraw/zinc/74/49/66/1211744966.db2.gz JHOJHRAKIYZHBM-ONEGZZNKSA-N 2 0 358.446 0.537 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000575138426 1211934224 /nfs/dbraw/zinc/93/42/24/1211934224.db2.gz BEBAMKAZMNUSIR-DLBZAZTESA-N 2 0 365.522 0.903 10 0 FCAERP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1 ZINC000900176704 1217967730 /nfs/dbraw/zinc/96/77/30/1217967730.db2.gz CYKXMJVISBSFRD-LJQANCHMSA-N 2 0 362.474 0.763 10 0 FCAERP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000900703732 1218028249 /nfs/dbraw/zinc/02/82/49/1218028249.db2.gz OJUVGUJYDWQWCO-QUCCMNQESA-N 2 0 361.486 0.715 10 0 FCAERP CCC(CC)(CNC(=O)C12CC[NH+](CC1)C2)NC(=O)C12CC[NH+](CC1)C2 ZINC000900704472 1218028551 /nfs/dbraw/zinc/02/85/51/1218028551.db2.gz WHGYCTVAMCWKQR-UHFFFAOYSA-N 2 0 362.518 0.969 10 0 FCAERP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cn1 ZINC000900832540 1218044221 /nfs/dbraw/zinc/04/42/21/1218044221.db2.gz VWDHAQVIBAMUJQ-CVEARBPZSA-N 2 0 362.478 0.516 10 0 FCAERP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000900903391 1218051630 /nfs/dbraw/zinc/05/16/30/1218051630.db2.gz HHGHJBTWMMBYGW-AZUAARDMSA-N 2 0 361.486 0.715 10 0 FCAERP C/C(=C\C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)CN1CCOCC1 ZINC000901105674 1218081088 /nfs/dbraw/zinc/08/10/88/1218081088.db2.gz JPVHBDYHXMPFKZ-FYPAKXHLSA-N 2 0 364.490 0.030 10 0 FCAERP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H]3CCO[C@@]34CCOC4)CC2)nc1 ZINC000903086822 1218362434 /nfs/dbraw/zinc/36/24/34/1218362434.db2.gz AKYXMVVSGQCFGJ-IEBWSBKVSA-N 2 0 361.490 0.916 10 0 FCAERP Cn1cc(N2CCC[C@H](N3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)C2=O)cn1 ZINC000903508322 1218430460 /nfs/dbraw/zinc/43/04/60/1218430460.db2.gz CCXCJMICELIITH-SCTDSRPQSA-N 2 0 372.517 0.816 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)C[C@H]1CC[NH3+] ZINC000903737529 1218511467 /nfs/dbraw/zinc/51/14/67/1218511467.db2.gz OTJCSPMRVUFIHD-BRWVUGGUSA-N 2 0 366.506 0.143 10 0 FCAERP Cc1ccoc1CN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903778094 1218523119 /nfs/dbraw/zinc/52/31/19/1218523119.db2.gz HMFOHZOWSKTSCX-CALCHBBNSA-N 2 0 374.485 0.974 10 0 FCAERP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903886821 1218560012 /nfs/dbraw/zinc/56/00/12/1218560012.db2.gz TWAXTYUUOJQPMW-DJIMGWMZSA-N 2 0 365.522 0.709 10 0 FCAERP Cc1c(C[C@@H](C[NH3+])CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cnn1C ZINC000903892799 1218560923 /nfs/dbraw/zinc/56/09/23/1218560923.db2.gz WSCDIRGQWMYDED-KRWDZBQOSA-N 2 0 362.522 0.086 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804050599 1219102686 /nfs/dbraw/zinc/10/26/86/1219102686.db2.gz JWXHOFJONSNGCE-SJJHQCBESA-N 2 0 366.506 0.202 10 0 FCAERP C[C@H](CCC[NH2+]CC(=O)Nc1cnccn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277194130 1225868171 /nfs/dbraw/zinc/86/81/71/1225868171.db2.gz VBXBHMIQLKXXIT-RBSFLKMASA-N 2 0 362.478 0.630 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NCc2cccnc2)CC[N@@H+]1C ZINC001491464144 1220140966 /nfs/dbraw/zinc/14/09/66/1220140966.db2.gz WPLIJRIJLDOAIJ-BHYGNILZSA-N 2 0 361.490 0.522 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC001118122024 1221715502 /nfs/dbraw/zinc/71/55/02/1221715502.db2.gz MWDRHTJNDHMHSJ-SFHVURJKSA-N 2 0 358.486 0.930 10 0 FCAERP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001118898763 1221842303 /nfs/dbraw/zinc/84/23/03/1221842303.db2.gz YZLBDOGBRYVMRU-PBHICJAKSA-N 2 0 366.506 0.189 10 0 FCAERP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001118898766 1221842524 /nfs/dbraw/zinc/84/25/24/1221842524.db2.gz YZLBDOGBRYVMRU-YOEHRIQHSA-N 2 0 366.506 0.189 10 0 FCAERP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001118918154 1221844467 /nfs/dbraw/zinc/84/44/67/1221844467.db2.gz UFWPDZHXBDXTKI-DOTOQJQBSA-N 2 0 373.501 0.942 10 0 FCAERP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC001118931253 1221845995 /nfs/dbraw/zinc/84/59/95/1221845995.db2.gz BSHHWOYORFCPNW-FUHWJXTLSA-N 2 0 358.486 0.896 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)c1cccc2c1C[NH2+]CC2 ZINC001119036129 1221859578 /nfs/dbraw/zinc/85/95/78/1221859578.db2.gz DRAJCEIVMKEGJD-INIZCTEOSA-N 2 0 372.469 0.942 10 0 FCAERP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[C@H]1C[NH+](C)CCN1C ZINC001119454751 1221918944 /nfs/dbraw/zinc/91/89/44/1221918944.db2.gz MQXZQHIRRUIPQY-DZOHQFGASA-N 2 0 362.522 0.206 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CC[C@H]5C[N@@H+](C)C[C@H]54)C3)[C@@H]2C1 ZINC000839776412 1222756896 /nfs/dbraw/zinc/75/68/96/1222756896.db2.gz KUSGNAVLOOELED-JWXAEQQXSA-N 2 0 374.529 0.728 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000841219179 1222814663 /nfs/dbraw/zinc/81/46/63/1222814663.db2.gz VREMTKIENNUCHV-CRAIPNDOSA-N 2 0 373.501 0.881 10 0 FCAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000841244234 1222816191 /nfs/dbraw/zinc/81/61/91/1222816191.db2.gz PFSSQUCUSCHPRI-YOEHRIQHSA-N 2 0 359.474 0.715 10 0 FCAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000843258489 1222867258 /nfs/dbraw/zinc/86/72/58/1222867258.db2.gz GHCWFURWCXDVDZ-SOLBZPMBSA-N 2 0 372.469 0.051 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000843329575 1222870587 /nfs/dbraw/zinc/87/05/87/1222870587.db2.gz OIMUJEGHCVQVCQ-HNNXBMFYSA-N 2 0 363.414 0.814 10 0 FCAERP CC(=O)NCCOCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586850 1223578022 /nfs/dbraw/zinc/57/80/22/1223578022.db2.gz QOFVUPOWZOMROG-OIISXLGYSA-N 2 0 368.522 0.306 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849568020 1245401624 /nfs/dbraw/zinc/40/16/24/1245401624.db2.gz LRUATJWLIQPCEJ-SCTDSRPQSA-N 2 0 365.522 0.663 10 0 FCAERP CC[NH+](CC)CCOCCNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849571573 1245402313 /nfs/dbraw/zinc/40/23/13/1245402313.db2.gz HHWALSVIQYGKNE-ZWKOTPCHSA-N 2 0 365.522 0.930 10 0 FCAERP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000903786324 1245478342 /nfs/dbraw/zinc/47/83/42/1245478342.db2.gz YKWQYSJEAVNCPI-INIZCTEOSA-N 2 0 368.522 0.546 10 0 FCAERP COCC[N@@H+]1CC[C@H](NC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)C1 ZINC000919643201 1245610670 /nfs/dbraw/zinc/61/06/70/1245610670.db2.gz RCXYSPKUIAVXTH-DLBZAZTESA-N 2 0 368.522 0.992 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000923199767 1245700982 /nfs/dbraw/zinc/70/09/82/1245700982.db2.gz WKFXVAFENNBXIS-FUHWJXTLSA-N 2 0 369.554 0.811 10 0 FCAERP O=c1[nH]c(CN2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)nc2ccccc21 ZINC000923320411 1245706749 /nfs/dbraw/zinc/70/67/49/1245706749.db2.gz XVYCBXRVUMZIRE-OAHLLOKOSA-N 2 0 369.469 0.832 10 0 FCAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC(=O)NC(=O)NCc1ccccc1)CC2 ZINC000923457336 1245719911 /nfs/dbraw/zinc/71/99/11/1245719911.db2.gz UCUYYIWSFFSCBO-INIZCTEOSA-N 2 0 360.458 0.842 10 0 FCAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC(=O)NCc1ccc3c(c1)OCO3)CC2 ZINC000923458613 1245720043 /nfs/dbraw/zinc/72/00/43/1245720043.db2.gz RFPDDCRQTHZRNH-OAHLLOKOSA-N 2 0 361.442 0.861 10 0 FCAERP O=C(CCN1CC[NH2+]CC[NH2+]CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000923462524 1245722198 /nfs/dbraw/zinc/72/21/98/1245722198.db2.gz JRIWYYIKIMJUKU-UHFFFAOYSA-N 2 0 361.490 0.347 10 0 FCAERP O[C@@H]1CC[NH+](C2CCN(CCN3CCC([N@@H+]4CC[C@H](O)C4)CC3)CC2)C1 ZINC001327914147 1265452036 /nfs/dbraw/zinc/45/20/36/1265452036.db2.gz VBFAYRQTMFMUFY-BGYRXZFFSA-N 2 0 366.550 0.048 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCC1 ZINC001329068030 1265685426 /nfs/dbraw/zinc/68/54/26/1265685426.db2.gz CVKWNULGFBBODB-MRXNPFEDSA-N 2 0 366.506 0.204 10 0 FCAERP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+](C)CC1 ZINC001519686035 1265750610 /nfs/dbraw/zinc/75/06/10/1265750610.db2.gz CTFSVWHMCVMWKB-WBVHZDCISA-N 2 0 353.511 0.175 10 0 FCAERP CO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@@H]1C ZINC001329510981 1265772795 /nfs/dbraw/zinc/77/27/95/1265772795.db2.gz LOSYUBBORXSFDY-HZMVEIRTSA-N 2 0 368.522 0.068 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-n3cccn3)cc2)CC[N@@H+]1C ZINC001331713326 1266270545 /nfs/dbraw/zinc/27/05/45/1266270545.db2.gz ZJXRHGLJTXAHAT-HHXXYDBFSA-N 2 0 371.485 0.779 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(F)c2)C[C@H]1C[NH+](C)C ZINC001335638395 1259756825 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FAOIFSRFGCFYML-LSDHHAIUSA-N 2 0 364.494 0.525 10 0 FCAERP CCNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001479771913 1263409833 /nfs/dbraw/zinc/40/98/33/1263409833.db2.gz UFBFLQJQOKZVCV-UONOGXRCSA-N 2 0 355.483 0.001 10 0 FCAERP CNC(=O)NC(=O)[C@H](C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001479869033 1263413708 /nfs/dbraw/zinc/41/37/08/1263413708.db2.gz QNFXUOALBKHKHG-VNHYZAJKSA-N 2 0 367.494 0.141 10 0 FCAERP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+][C@H](C)C(=O)N(C)C ZINC001316691141 1263422580 /nfs/dbraw/zinc/42/25/80/1263422580.db2.gz ALRDJUYZHDQRJG-BZUAXINKSA-N 2 0 366.506 0.012 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001316692497 1263424227 /nfs/dbraw/zinc/42/42/27/1263424227.db2.gz XNBMSCKKHOVBAV-HZPDHXFCSA-N 2 0 370.538 0.506 10 0 FCAERP C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H]1CCC[NH2+]CC(=O)NC(N)=O ZINC001316710737 1263433658 /nfs/dbraw/zinc/43/36/58/1263433658.db2.gz OCQHKNUPGBLONR-RBSFLKMASA-N 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1266660114 /nfs/dbraw/zinc/66/01/14/1266660114.db2.gz HXANGESYYWQQTG-UHFFFAOYSA-N 2 0 350.507 0.968 10 0 FCAERP CO[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1 ZINC001334041228 1266790728 /nfs/dbraw/zinc/79/07/28/1266790728.db2.gz OBQSOUCZOZAZCX-BBWFWOEESA-N 2 0 364.490 0.051 10 0 FCAERP CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001528037760 1266940913 /nfs/dbraw/zinc/94/09/13/1266940913.db2.gz PZEIAGFTNDTUSQ-YJBOKZPZSA-N 2 0 354.495 0.386 10 0 FCAERP CCOC(=O)C[C@@H](O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001544376713 1267577914 /nfs/dbraw/zinc/57/79/14/1267577914.db2.gz YFXHJSCQFVPINR-MRXNPFEDSA-N 2 0 364.446 0.024 10 0 FCAERP CC(=O)c1cn(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC001544376170 1267578231 /nfs/dbraw/zinc/57/82/31/1267578231.db2.gz BKALVARAAXTOHO-UHFFFAOYSA-N 2 0 371.445 0.204 10 0 FCAERP COC(=O)C1CC[NH+](CCCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001340991112 1268736879 /nfs/dbraw/zinc/73/68/79/1268736879.db2.gz OHTGDNVDBAECFX-UHFFFAOYSA-N 2 0 355.479 0.489 10 0 FCAERP CC(C)C[C@H](NC(=O)c1ccc(C[NH+](C)C)nc1)C(=O)NCC[NH+](C)C ZINC001556066832 1268807906 /nfs/dbraw/zinc/80/79/06/1268807906.db2.gz AVVONGRSBVEXNM-KRWDZBQOSA-N 2 0 363.506 0.966 10 0 FCAERP C[NH+](C)CCSc1nc(CC(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cs1 ZINC001558043613 1269010344 /nfs/dbraw/zinc/01/03/44/1269010344.db2.gz PDHLNXGWSZTALF-MRXNPFEDSA-N 2 0 372.560 0.864 10 0 FCAERP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O)[NH+]1CCCCC1 ZINC001341506596 1269040841 /nfs/dbraw/zinc/04/08/41/1269040841.db2.gz OMIJNGGSPBGTNO-JFIYKMOQSA-N 2 0 368.522 0.137 10 0 FCAERP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1O ZINC001341657826 1269135612 /nfs/dbraw/zinc/13/56/12/1269135612.db2.gz SOQMBZNDUYBPBD-HZPDHXFCSA-N 2 0 368.522 0.138 10 0 FCAERP C[NH+]1CCC2(CCN2C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001341659656 1269136583 /nfs/dbraw/zinc/13/65/83/1269136583.db2.gz JRLUQTFYEGBEHN-MRXNPFEDSA-N 2 0 364.490 0.053 10 0 FCAERP 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FHLSRUIEJZMOLN-CVEARBPZSA-N 2 0 350.507 0.587 10 0 FCAERP C[C@@H](CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)[NH+]1CCCCC1 ZINC001345577423 871418414 /nfs/dbraw/zinc/41/84/14/871418414.db2.gz UIUURBNENKEYGD-XYJFISCASA-N 2 0 354.495 0.386 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001328798663 871631455 /nfs/dbraw/zinc/63/14/55/871631455.db2.gz MQQJHOWUUGGMRL-JKSUJKDBSA-N 2 0 354.495 0.202 10 0 FCAERP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001346125697 871658344 /nfs/dbraw/zinc/65/83/44/871658344.db2.gz RXRRFNQQMJUAGC-BZUAXINKSA-N 2 0 350.507 0.776 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)CC[N@@H+]1C ZINC001346457127 871850807 /nfs/dbraw/zinc/85/08/07/871850807.db2.gz LZLHPBSTVWDSQA-QBPKDAKJSA-N 2 0 352.523 0.879 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCC3(CC3)C2)C[C@H]1C[NH+](C)C ZINC001329495600 872069158 /nfs/dbraw/zinc/06/91/58/872069158.db2.gz VMAQQIMVPRUNJT-HZPDHXFCSA-N 2 0 350.507 0.587 10 0 FCAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001329562870 872108959 /nfs/dbraw/zinc/10/89/59/872108959.db2.gz HMJACNLDGISQJE-DNVCBOLYSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001330020280 872423869 /nfs/dbraw/zinc/42/38/69/872423869.db2.gz NPIMLRFCHCXSCL-GOEBONIOSA-N 2 0 354.495 0.060 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001330518467 872681363 /nfs/dbraw/zinc/68/13/63/872681363.db2.gz CBKKDUXMZCCWBT-GOSISDBHSA-N 2 0 351.495 0.372 10 0 FCAERP CN(C[C@@H]1CC1(C)C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001332057115 873352816 /nfs/dbraw/zinc/35/28/16/873352816.db2.gz NQMJDWLSSAZINU-OAGGEKHMSA-N 2 0 352.523 0.689 10 0 FCAERP C[NH+]1CCN(Cc2cccc(CNS(=O)(=O)[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC001332365393 873478658 /nfs/dbraw/zinc/47/86/58/873478658.db2.gz RTKNLQCKTXUOGF-GOSISDBHSA-N 2 0 366.531 0.605 10 0 FCAERP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)N1CCC(F)(F)C1 ZINC001332457048 873515512 /nfs/dbraw/zinc/51/55/12/873515512.db2.gz UUCLHQMEBNNIFC-OKILXGFUSA-N 2 0 356.417 0.281 10 0 FCAERP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCNC[C@](C)(F)C2)ncn1 ZINC000333400109 215275087 /nfs/dbraw/zinc/27/50/87/215275087.db2.gz PXKYALPJYIEHEA-DYVFJYSZSA-N 2 0 365.457 0.830 10 0 FCAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)C1 ZINC000333754179 215316671 /nfs/dbraw/zinc/31/66/71/215316671.db2.gz ZMWKGGVRZVKBJE-FGTMMUONSA-N 2 0 367.538 0.421 10 0 FCAERP C[C@H](CNC(=O)C[N@@H+]1C[C@H](C)[C@](C)(CO)C1)[NH+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000931065340 674090277 /nfs/dbraw/zinc/09/02/77/674090277.db2.gz HWFCHCHALDXCEA-AFQPOQBFSA-N 2 0 355.523 0.392 10 0 FCAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1 ZINC000262111157 209525101 /nfs/dbraw/zinc/52/51/01/209525101.db2.gz FIQMHRLFRURKLJ-QGTPRVQTSA-N 2 0 363.506 0.274 10 0 FCAERP Cc1cnn([C@H]2CCN(CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C2)c1 ZINC000368088252 216201816 /nfs/dbraw/zinc/20/18/16/216201816.db2.gz FUEGVIDAXMMGNS-ZWKOTPCHSA-N 2 0 363.506 0.911 10 0 FCAERP O=C(CN1CC[N@@H+]2CCC[C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000246579490 209394023 /nfs/dbraw/zinc/39/40/23/209394023.db2.gz SCTYBXSGEJKCAZ-SFHVURJKSA-N 2 0 364.534 0.918 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)CC1 ZINC000246547852 209390022 /nfs/dbraw/zinc/39/00/22/209390022.db2.gz TVRHZHSOXJSWQS-FUHWJXTLSA-N 2 0 352.523 0.628 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2[nH]nc3c2C[NH2+]CC3)cc1 ZINC000372900660 216960601 /nfs/dbraw/zinc/96/06/01/216960601.db2.gz FEEJASPREOSHML-YOEHRIQHSA-N 2 0 355.442 0.940 10 0 FCAERP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)c1 ZINC000414886261 245330956 /nfs/dbraw/zinc/33/09/56/245330956.db2.gz VWTHHTWVPQUKSU-QGZVFWFLSA-N 2 0 362.474 0.962 10 0 FCAERP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000415254565 245367627 /nfs/dbraw/zinc/36/76/27/245367627.db2.gz KUNNYZJDZGRNPA-INIZCTEOSA-N 2 0 362.474 0.698 10 0 FCAERP O=C(NC[C@H]1CCCC[N@H+]1CCO)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415255132 245368670 /nfs/dbraw/zinc/36/86/70/245368670.db2.gz LXGKDXLGFMXIDQ-QGZVFWFLSA-N 2 0 360.458 0.234 10 0 FCAERP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000415257778 245371939 /nfs/dbraw/zinc/37/19/39/245371939.db2.gz QTCGPKKTTHRIJA-KRWDZBQOSA-N 2 0 362.474 0.698 10 0 FCAERP C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1=O ZINC000374206660 217108450 /nfs/dbraw/zinc/10/84/50/217108450.db2.gz FGYRZKQNCINTFT-IXDOHACOSA-N 2 0 367.538 0.911 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C(=O)NCC[NH+](C)C ZINC000418434812 245786003 /nfs/dbraw/zinc/78/60/03/245786003.db2.gz VVFNHLRLRVJCED-PMPSAXMXSA-N 2 0 355.527 0.896 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419136682 246011241 /nfs/dbraw/zinc/01/12/41/246011241.db2.gz PLGANQZYMODHEZ-BPQIPLTHSA-N 2 0 358.486 0.881 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419204384 246050953 /nfs/dbraw/zinc/05/09/53/246050953.db2.gz HVHKRRDNNTXMMQ-NJAFHUGGSA-N 2 0 358.486 0.881 10 0 FCAERP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C[N@@H+]1C1CC1 ZINC000419313887 246094851 /nfs/dbraw/zinc/09/48/51/246094851.db2.gz GYGMLTICFNREKX-GOEBONIOSA-N 2 0 359.474 0.419 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419440859 246165661 /nfs/dbraw/zinc/16/56/61/246165661.db2.gz LNEYKTXWGHYBND-CVEARBPZSA-N 2 0 356.511 0.584 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000419473304 246175926 /nfs/dbraw/zinc/17/59/26/246175926.db2.gz AEFWOWVQAVAUGW-VVLHAWIVSA-N 2 0 352.523 0.975 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419529572 246193725 /nfs/dbraw/zinc/19/37/25/246193725.db2.gz CYQQHTHKWJPQKJ-QGZVFWFLSA-N 2 0 362.474 0.201 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419552156 246200459 /nfs/dbraw/zinc/20/04/59/246200459.db2.gz YGZNIWMBTWIXIF-QGZVFWFLSA-N 2 0 368.522 0.642 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000419705206 246260947 /nfs/dbraw/zinc/26/09/47/246260947.db2.gz IPWHBYPTLSCERD-YJBOKZPZSA-N 2 0 358.486 0.976 10 0 FCAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419758268 246286383 /nfs/dbraw/zinc/28/63/83/246286383.db2.gz JVEVZOIFVGJATE-BBRMVZONSA-N 2 0 350.438 0.488 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Cc1ccc(F)cc1 ZINC000419765434 246291251 /nfs/dbraw/zinc/29/12/51/246291251.db2.gz XKOJHKZNUJYQHO-CALCHBBNSA-N 2 0 362.449 0.727 10 0 FCAERP CN(C(=O)C(=O)NCCC[NH3+])[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419831358 246309296 /nfs/dbraw/zinc/30/92/96/246309296.db2.gz LPXIZFOFEFRKLK-IAGOWNOFSA-N 2 0 367.538 0.247 10 0 FCAERP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000419845332 246318277 /nfs/dbraw/zinc/31/82/77/246318277.db2.gz DPSPVUKMLMDEOT-GOSISDBHSA-N 2 0 373.501 0.764 10 0 FCAERP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419931548 246375032 /nfs/dbraw/zinc/37/50/32/246375032.db2.gz CULSDDDSYTUBRS-OAHLLOKOSA-N 2 0 354.495 0.204 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419964977 246391313 /nfs/dbraw/zinc/39/13/13/246391313.db2.gz WSBGWHLPPAOTGF-CQSZACIVSA-N 2 0 363.462 0.228 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[C@@]1(C)C[NH3+] ZINC000423521615 247042391 /nfs/dbraw/zinc/04/23/91/247042391.db2.gz GHMDRWZJRFJTSC-IDHHARJASA-N 2 0 350.507 0.620 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424538835 247255867 /nfs/dbraw/zinc/25/58/67/247255867.db2.gz DRRNXZJZLCXOCS-DSLXNQLJSA-N 2 0 370.497 0.834 10 0 FCAERP Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000178286931 209048335 /nfs/dbraw/zinc/04/83/35/209048335.db2.gz IPAGPERPAOAYRD-QGZVFWFLSA-N 3 0 363.506 0.883 10 0 FCAERP COCC[NH+]1CCC(C[NH+]2CCN(c3cc(=O)[nH]c(N)n3)CC2)CC1 ZINC000065433510 221219316 /nfs/dbraw/zinc/21/93/16/221219316.db2.gz RSDRKEBQJMLYQV-UHFFFAOYSA-N 2 0 350.467 0.245 10 0 FCAERP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000193270295 229267082 /nfs/dbraw/zinc/26/70/82/229267082.db2.gz IHBQCFAGIPMJKS-QGZVFWFLSA-N 2 0 355.527 0.158 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507201910 484251801 /nfs/dbraw/zinc/25/18/01/484251801.db2.gz PMCTULWUEKPCIF-UHFFFAOYSA-N 2 0 372.429 0.434 10 0 FCAERP CC[NH+](CC)[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000326529823 488915756 /nfs/dbraw/zinc/91/57/56/488915756.db2.gz HBWIXJFRIQEKSU-SJORKVTESA-N 2 0 355.504 0.977 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](CC3CC3)CC2)C1 ZINC000052164720 488158852 /nfs/dbraw/zinc/15/88/52/488158852.db2.gz ZLNYGPNTOQJALO-GOSISDBHSA-N 2 0 352.523 0.487 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000074167270 488388827 /nfs/dbraw/zinc/38/88/27/488388827.db2.gz DONCEWPFDGTASA-SJORKVTESA-N 2 0 355.527 0.280 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(C2)CCOCC3)C1 ZINC000076177222 488401742 /nfs/dbraw/zinc/40/17/42/488401742.db2.gz BYPZQRLSTPAXPR-KRWDZBQOSA-N 2 0 353.507 0.962 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000192491955 488422536 /nfs/dbraw/zinc/42/25/36/488422536.db2.gz RAWXIKIZENJUJZ-UHFFFAOYSA-N 2 0 357.524 0.776 10 0 FCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000246739215 488475270 /nfs/dbraw/zinc/47/52/70/488475270.db2.gz YGWVVACCIFIFSI-NVXWUHKLSA-N 2 0 361.552 0.683 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000247088152 488481652 /nfs/dbraw/zinc/48/16/52/488481652.db2.gz PQKOXTBJPRHYON-IAGOWNOFSA-N 2 0 354.495 0.461 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000248217034 488494115 /nfs/dbraw/zinc/49/41/15/488494115.db2.gz ZWDKIPQBUZNXQT-OTWHNJEPSA-N 3 0 366.550 0.876 10 0 FCAERP C[C@H](O)C[N@@H+]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000248391142 488494995 /nfs/dbraw/zinc/49/49/95/488494995.db2.gz CTCKSTXUKHRPLO-AOIWGVFYSA-N 2 0 362.518 0.792 10 0 FCAERP C[C@H](O)C[N@@H+]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000248391145 488495440 /nfs/dbraw/zinc/49/54/40/488495440.db2.gz CTCKSTXUKHRPLO-ZIFCJYIRSA-N 2 0 362.518 0.792 10 0 FCAERP CC[C@@H]1CN(C(=O)NC[C@H]2CCC[NH+]2CCOC)CC[N@@H+]1C[C@H](C)O ZINC000248444209 488496115 /nfs/dbraw/zinc/49/61/15/488496115.db2.gz BJUMEACPSHUHNE-GVDBMIGSSA-N 2 0 356.511 0.584 10 0 FCAERP CC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC[N@@H+]1C[C@H](C)O ZINC000248451334 488496745 /nfs/dbraw/zinc/49/67/45/488496745.db2.gz JQTHFWDZSJGGKX-RCCFBDPRSA-N 2 0 370.538 0.830 10 0 FCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103307177 488500539 /nfs/dbraw/zinc/50/05/39/488500539.db2.gz YJDVWMAAQPVHGM-QGZVFWFLSA-N 2 0 367.538 0.912 10 0 FCAERP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCO[C@@]2(CCOC2)C1 ZINC000249037277 488505324 /nfs/dbraw/zinc/50/53/24/488505324.db2.gz UGZVFJVTOXTNKV-LPHOPBHVSA-N 2 0 360.458 0.610 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)C1 ZINC000249399896 488509498 /nfs/dbraw/zinc/50/94/98/488509498.db2.gz UUIXMKSPXODKCM-PMPSAXMXSA-N 2 0 354.495 0.093 10 0 FCAERP C[C@@H]1C[C@H](C(=O)N2CC[C@@H]([NH+](C)C)C2)[C@@H](C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000249452885 488509863 /nfs/dbraw/zinc/50/98/63/488509863.db2.gz OXQWMKXXKXGFFZ-JCECYMMASA-N 2 0 364.534 0.974 10 0 FCAERP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000106124699 488512023 /nfs/dbraw/zinc/51/20/23/488512023.db2.gz MHFFKPYIHFIVMC-YJBOKZPZSA-N 2 0 368.522 0.138 10 0 FCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000106125538 488512156 /nfs/dbraw/zinc/51/21/56/488512156.db2.gz CDBYAEXSPQNMKI-NSHDSACASA-N 2 0 368.400 0.399 10 0 FCAERP CC[C@@H]1CN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000114456636 488540775 /nfs/dbraw/zinc/54/07/75/488540775.db2.gz YTPXHJHAMWXNTB-SJLPKXTDSA-N 2 0 354.539 0.752 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000119369272 488557251 /nfs/dbraw/zinc/55/72/51/488557251.db2.gz VVSGFYQBCCYKGE-CGZBRXJRSA-N 2 0 367.538 0.993 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000562996703 491206665 /nfs/dbraw/zinc/20/66/65/491206665.db2.gz SDGPPGLCJHQTHL-IBGZPJMESA-N 3 0 367.582 0.135 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000562993889 491206704 /nfs/dbraw/zinc/20/67/04/491206704.db2.gz QWBROECQARSAFZ-ZBFHGGJFSA-N 2 0 366.893 0.643 10 0 FCAERP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000127113227 488614629 /nfs/dbraw/zinc/61/46/29/488614629.db2.gz VQBOJRFBCRDEGS-UHFFFAOYSA-N 2 0 355.523 0.944 10 0 FCAERP CC(C)[N@H+]1C[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC000132565593 488653878 /nfs/dbraw/zinc/65/38/78/488653878.db2.gz DDWBUGVFLURFAH-IRXDYDNUSA-N 2 0 365.522 0.665 10 0 FCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000136979519 488679515 /nfs/dbraw/zinc/67/95/15/488679515.db2.gz ZZKAMWYKQGNMKW-DLBZAZTESA-N 2 0 367.538 0.911 10 0 FCAERP CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000563118073 491217708 /nfs/dbraw/zinc/21/77/08/491217708.db2.gz SWDAAUCDWZJWTE-MRXNPFEDSA-N 2 0 367.519 0.911 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000563142346 491220217 /nfs/dbraw/zinc/22/02/17/491220217.db2.gz MVVJYRGBYOARHI-JEBQAFNWSA-N 2 0 356.470 0.670 10 0 FCAERP C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000170844130 488816897 /nfs/dbraw/zinc/81/68/97/488816897.db2.gz PNDQYAQERJDPBC-SFHVURJKSA-N 2 0 373.501 0.930 10 0 FCAERP Cn1c2ncn(CC[NH+]3CCC(C[NH+]4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000171388360 488822948 /nfs/dbraw/zinc/82/29/48/488822948.db2.gz JCGSCMCGLOIQNT-UHFFFAOYSA-N 2 0 374.489 0.242 10 0 FCAERP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)CC1 ZINC000171651422 488825293 /nfs/dbraw/zinc/82/52/93/488825293.db2.gz JVKQRZNRXOCMPQ-KRWDZBQOSA-N 2 0 359.474 0.815 10 0 FCAERP CN1CCO[C@@H](CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000174748452 488850889 /nfs/dbraw/zinc/85/08/89/488850889.db2.gz RAJIPNOVXHZVIH-KRWDZBQOSA-N 2 0 354.495 0.603 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000175353610 488853966 /nfs/dbraw/zinc/85/39/66/488853966.db2.gz BEZWXOAWTHNLDJ-QZTJIDSGSA-N 2 0 354.539 0.876 10 0 FCAERP CC[C@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1CCOC ZINC000175778986 488855653 /nfs/dbraw/zinc/85/56/53/488855653.db2.gz UAAMDFWFWALYML-MSOLQXFVSA-N 2 0 369.554 0.622 10 0 FCAERP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC([C@@H]3CCC[NH2+]3)CC1)c(=O)n2C ZINC000563215608 491227793 /nfs/dbraw/zinc/22/77/93/491227793.db2.gz SJSZMALFMAPWIJ-HNNXBMFYSA-N 2 0 374.489 0.288 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H](c2nc(=O)[nH][nH]2)C1)c1ccccc1 ZINC000289503028 489071895 /nfs/dbraw/zinc/07/18/95/489071895.db2.gz UJCYQHGVGPLDMT-HZPDHXFCSA-N 2 0 372.473 0.697 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000570329271 491233982 /nfs/dbraw/zinc/23/39/82/491233982.db2.gz DWWWZYHBWKAVCO-HNNXBMFYSA-N 2 0 355.479 0.666 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)CC1 ZINC000332793639 489231689 /nfs/dbraw/zinc/23/16/89/489231689.db2.gz OGADCZBVVMKDRF-QZTJIDSGSA-N 2 0 368.522 0.990 10 0 FCAERP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000369883164 489287712 /nfs/dbraw/zinc/28/77/12/489287712.db2.gz JJJGVIUCYAHIKW-IDHHARJASA-N 2 0 359.474 0.962 10 0 FCAERP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000570571157 491250091 /nfs/dbraw/zinc/25/00/91/491250091.db2.gz AAARMBQDFCJEHS-HOCLYGCPSA-N 2 0 359.474 0.868 10 0 FCAERP COC(=O)[C@@H]1C[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000370561341 489375259 /nfs/dbraw/zinc/37/52/59/489375259.db2.gz KGGLYQTURVZQTI-OWCLPIDISA-N 2 0 355.479 0.200 10 0 FCAERP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)[C@H]2C1 ZINC000570594097 491252040 /nfs/dbraw/zinc/25/20/40/491252040.db2.gz UBODBXHBCSKMJN-ZVDOUQERSA-N 2 0 373.497 0.945 10 0 FCAERP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC([C@H]3CC[NH2+]C3)CC1)c(=O)n2C ZINC000570635405 491254758 /nfs/dbraw/zinc/25/47/58/491254758.db2.gz GDZBHQWDLULVHH-HNNXBMFYSA-N 2 0 374.489 0.145 10 0 FCAERP CN(CCc1ccc(F)cc1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000570660698 491256211 /nfs/dbraw/zinc/25/62/11/491256211.db2.gz KLZIJBXMCZAELD-UHFFFAOYSA-N 2 0 366.481 0.778 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000451459706 489505402 /nfs/dbraw/zinc/50/54/02/489505402.db2.gz IFKFJNBYRVPVCY-CYGHRXIMSA-N 2 0 353.507 0.863 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000423226869 489505447 /nfs/dbraw/zinc/50/54/47/489505447.db2.gz SQACCWLIDMWHHA-IKGGRYGDSA-N 2 0 350.507 0.907 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423259246 489508475 /nfs/dbraw/zinc/50/84/75/489508475.db2.gz DJVFFZVFIRHAIR-HOTGVXAUSA-N 2 0 354.495 0.014 10 0 FCAERP CN(C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000423266086 489509396 /nfs/dbraw/zinc/50/93/96/489509396.db2.gz CRSASBAXFLITGP-FGTMMUONSA-N 2 0 374.460 0.774 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415603028 489535782 /nfs/dbraw/zinc/53/57/82/489535782.db2.gz AAJISLZKXMVGOA-CRAIPNDOSA-N 2 0 373.501 0.487 10 0 FCAERP CN(CC(C)(C)C[NH3+])C(=O)C[C@@]1(C(=O)N(C)CC(C)(C)C[NH3+])CC[NH2+]C1 ZINC000372222348 489560399 /nfs/dbraw/zinc/56/03/99/489560399.db2.gz BADCVBPORWPGIG-IBGZPJMESA-N 3 0 369.554 0.243 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417002850 489638054 /nfs/dbraw/zinc/63/80/54/489638054.db2.gz GVEIFIPQMPIFAY-CVEARBPZSA-N 2 0 353.511 0.570 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417394629 489651157 /nfs/dbraw/zinc/65/11/57/489651157.db2.gz VOAVCZFOILHZHI-PKOBYXMFSA-N 3 0 372.517 0.987 10 0 FCAERP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+]1CCN(C)CC1 ZINC000457606873 489652019 /nfs/dbraw/zinc/65/20/19/489652019.db2.gz HORJTEHWDIXBRW-ZWKOTPCHSA-N 2 0 369.554 0.404 10 0 FCAERP COc1cccc([C@@H]2[C@@H](NC(=O)N(CC[NH3+])CCO)CC[N@@H+]2C2CC2)c1 ZINC000417985753 489674274 /nfs/dbraw/zinc/67/42/74/489674274.db2.gz HMZNVIWJJDKSRI-ZWKOTPCHSA-N 2 0 362.474 0.936 10 0 FCAERP CC1=CC[N@H+](CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418007399 489675311 /nfs/dbraw/zinc/67/53/11/489675311.db2.gz CTPCDFQBYHGRMS-CQSZACIVSA-N 2 0 363.428 0.774 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2Cc3cccc(O)c3C2)C1 ZINC000429316420 489681534 /nfs/dbraw/zinc/68/15/34/489681534.db2.gz LNQPNGYEXWKEMA-IAGOWNOFSA-N 2 0 361.486 0.922 10 0 FCAERP C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1=O ZINC000374206659 489694951 /nfs/dbraw/zinc/69/49/51/489694951.db2.gz FGYRZKQNCINTFT-IKGGRYGDSA-N 2 0 367.538 0.911 10 0 FCAERP O=C(NCCNc1cc[nH+]cc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418617568 489711361 /nfs/dbraw/zinc/71/13/61/489711361.db2.gz NKYLGELDUIPMKL-CYBMUJFWSA-N 2 0 360.384 0.051 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C2(CO)CCSCC2)C1 ZINC000459699806 489748805 /nfs/dbraw/zinc/74/88/05/489748805.db2.gz AENVSMQVHBAHKT-OAHLLOKOSA-N 2 0 359.536 0.307 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000418859902 489761429 /nfs/dbraw/zinc/76/14/29/489761429.db2.gz CCTIKFXYMHMETE-GVDBMIGSSA-N 2 0 350.507 0.810 10 0 FCAERP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418861754 489762704 /nfs/dbraw/zinc/76/27/04/489762704.db2.gz NLLVWOVPYVETLO-FUHWJXTLSA-N 2 0 358.486 0.883 10 0 FCAERP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000418875561 489769425 /nfs/dbraw/zinc/76/94/25/489769425.db2.gz KSUARSPVLPKSOF-MSOLQXFVSA-N 2 0 360.502 0.734 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000418875293 489769858 /nfs/dbraw/zinc/76/98/58/489769858.db2.gz KGUDIDGGPNMTEI-INDMIFKZSA-N 2 0 372.513 0.861 10 0 FCAERP C[C@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000418877945 489770843 /nfs/dbraw/zinc/77/08/43/489770843.db2.gz QCWKLTPGKBODOJ-CGTJXYLNSA-N 2 0 360.502 0.780 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@@H]1C[NH3+] ZINC000418880541 489772420 /nfs/dbraw/zinc/77/24/20/489772420.db2.gz VNYPTGSFYBVPAY-NJAFHUGGSA-N 2 0 360.502 0.719 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418879295 489772732 /nfs/dbraw/zinc/77/27/32/489772732.db2.gz SLGHBIBJHBZXDV-YLJYHZDGSA-N 2 0 358.486 0.488 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418881390 489773791 /nfs/dbraw/zinc/77/37/91/489773791.db2.gz XHHJCMXAJZPTJO-MANSERQUSA-N 2 0 372.513 0.780 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418882957 489774909 /nfs/dbraw/zinc/77/49/09/489774909.db2.gz ZTGUDITYWPLNPO-SFHVURJKSA-N 2 0 372.513 0.878 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@@H]1C[NH3+] ZINC000418900695 489782408 /nfs/dbraw/zinc/78/24/08/489782408.db2.gz DJRNYTDGDRLXCC-SPUZQDLCSA-N 2 0 358.486 0.991 10 0 FCAERP CC1=CC[N@H+](CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000431465833 489806899 /nfs/dbraw/zinc/80/68/99/489806899.db2.gz RSHOOQBYIBJCIM-UHFFFAOYSA-N 2 0 365.522 0.930 10 0 FCAERP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000418972243 489808040 /nfs/dbraw/zinc/80/80/40/489808040.db2.gz YRXOEWQHFFWKNS-OAHLLOKOSA-N 2 0 352.454 0.993 10 0 FCAERP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000418972242 489808177 /nfs/dbraw/zinc/80/81/77/489808177.db2.gz YRXOEWQHFFWKNS-HNNXBMFYSA-N 2 0 352.454 0.993 10 0 FCAERP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000418972945 489808534 /nfs/dbraw/zinc/80/85/34/489808534.db2.gz DBQGDKHHUNOMDM-UHFFFAOYSA-N 2 0 355.442 0.941 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)[C@H](C)C1 ZINC000419047036 489833164 /nfs/dbraw/zinc/83/31/64/489833164.db2.gz ZJXZIMRBTRHDGZ-IKGGRYGDSA-N 2 0 368.522 0.498 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)[C@H](C)C1 ZINC000419047041 489833171 /nfs/dbraw/zinc/83/31/71/489833171.db2.gz ZJXZIMRBTRHDGZ-ZACQAIPSSA-N 2 0 368.522 0.498 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000571054377 491282680 /nfs/dbraw/zinc/28/26/80/491282680.db2.gz UWGZUURNBNQRSN-QGZVFWFLSA-N 2 0 356.511 0.753 10 0 FCAERP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000420011721 489880366 /nfs/dbraw/zinc/88/03/66/489880366.db2.gz AARFUHVALIMPQW-IAGOWNOFSA-N 2 0 350.507 0.955 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)[C@@H](C)C1 ZINC000420042814 489891097 /nfs/dbraw/zinc/89/10/97/489891097.db2.gz RBNDDSNUALIQGC-AJNGGQMLSA-N 2 0 354.495 0.404 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420100757 489912301 /nfs/dbraw/zinc/91/23/01/489912301.db2.gz KVXZCBQNIDWIRO-AEFFLSMTSA-N 2 0 358.486 0.835 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420114418 489917270 /nfs/dbraw/zinc/91/72/70/489917270.db2.gz JMZRSDMHOZXXQN-GDAAHCPNSA-N 2 0 370.497 0.691 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420114428 489917275 /nfs/dbraw/zinc/91/72/75/489917275.db2.gz JMZRSDMHOZXXQN-YSHGAJCASA-N 2 0 370.497 0.691 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)o1 ZINC000420121380 489919926 /nfs/dbraw/zinc/91/99/26/489919926.db2.gz PHOJMDGCJIDONU-BBRMVZONSA-N 2 0 350.463 0.592 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420132156 489924794 /nfs/dbraw/zinc/92/47/94/489924794.db2.gz ZODNOGUIIZPHOU-RDJZCZTQSA-N 2 0 366.506 0.204 10 0 FCAERP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000420145641 489930577 /nfs/dbraw/zinc/93/05/77/489930577.db2.gz OKHRKPQFMHXNRF-CQSZACIVSA-N 2 0 363.462 0.373 10 0 FCAERP CN(C(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000420202318 489950081 /nfs/dbraw/zinc/95/00/81/489950081.db2.gz PJSHJEDSFYPFDB-DIJCBKJDSA-N 2 0 374.529 0.951 10 0 FCAERP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000377768247 489955510 /nfs/dbraw/zinc/95/55/10/489955510.db2.gz IUGPEDBHRADBKC-QZTJIDSGSA-N 2 0 367.538 0.519 10 0 FCAERP COCC[NH+]1CCC(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000477625293 489979580 /nfs/dbraw/zinc/97/95/80/489979580.db2.gz HVBQUWXXFPHWHQ-UHFFFAOYSA-N 2 0 366.506 0.347 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000477734579 489988489 /nfs/dbraw/zinc/98/84/89/489988489.db2.gz UAJAXFNZAGVPBG-DLBZAZTESA-N 2 0 365.522 0.807 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC[N@@H+]1C ZINC000440958890 490051200 /nfs/dbraw/zinc/05/12/00/490051200.db2.gz XBCAVDASPUUAEH-UKRRQHHQSA-N 2 0 356.430 1.147 10 0 FCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC[C@H]21 ZINC000556172512 491300531 /nfs/dbraw/zinc/30/05/31/491300531.db2.gz ZNTMSORTBMPLQX-IAGOWNOFSA-N 2 0 366.506 0.158 10 0 FCAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000382779071 490127944 /nfs/dbraw/zinc/12/79/44/490127944.db2.gz QUMQYNDWMQYMRS-MSOLQXFVSA-N 2 0 367.515 0.759 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390779897 490137413 /nfs/dbraw/zinc/13/74/13/490137413.db2.gz QEZCSIZWWUBXGO-DLBZAZTESA-N 2 0 353.488 0.559 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346207 491302493 /nfs/dbraw/zinc/30/24/93/491302493.db2.gz FEIHHKKTWTVXJK-ICSRJNTNSA-N 2 0 366.550 0.877 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000465869885 490149133 /nfs/dbraw/zinc/14/91/33/490149133.db2.gz FTKJQSWURUNLCR-IRXDYDNUSA-N 2 0 356.511 0.849 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000507937514 490279787 /nfs/dbraw/zinc/27/97/87/490279787.db2.gz IJBYRHYOGJXVNP-MGNMYUMUSA-N 2 0 350.507 0.918 10 0 FCAERP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC000422471596 490341190 /nfs/dbraw/zinc/34/11/90/490341190.db2.gz JUEXDNNNZJTMON-DOTOQJQBSA-N 2 0 355.442 0.893 10 0 FCAERP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000522102158 490342190 /nfs/dbraw/zinc/34/21/90/490342190.db2.gz QMZCYRFLUBKNQG-QGZVFWFLSA-N 2 0 365.522 0.807 10 0 FCAERP CCn1cnnc1CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000534449661 490367817 /nfs/dbraw/zinc/36/78/17/490367817.db2.gz NBRJAKSTIYWJPE-XYPWUTKMSA-N 2 0 361.494 0.750 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NCC[NH+](C)C ZINC000534716322 490401700 /nfs/dbraw/zinc/40/17/00/490401700.db2.gz VWZVNOIIBGPDDO-ZBFHGGJFSA-N 2 0 353.511 0.615 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1F ZINC000411240226 490412240 /nfs/dbraw/zinc/41/22/40/490412240.db2.gz HEYYFRHPHXKHNW-AWEZNQCLSA-N 2 0 366.437 0.915 10 0 FCAERP CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000484645536 490452465 /nfs/dbraw/zinc/45/24/65/490452465.db2.gz WBEYLXQJMKBUPE-IXDOHACOSA-N 2 0 357.495 0.243 10 0 FCAERP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000422981355 490509976 /nfs/dbraw/zinc/50/99/76/490509976.db2.gz OCJQHBOFGKFOTP-UHFFFAOYSA-N 2 0 374.485 0.598 10 0 FCAERP CC[NH+]1CCN([C@H](C)CNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000535761281 490524372 /nfs/dbraw/zinc/52/43/72/490524372.db2.gz OABDWAHTGBSSTO-QGZVFWFLSA-N 2 0 374.533 0.589 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423057939 490532221 /nfs/dbraw/zinc/53/22/21/490532221.db2.gz IODIQPWOZVHJMM-QYZOEREBSA-N 2 0 370.497 0.930 10 0 FCAERP C[C@@H]1C[N@@H+](CCCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000571926598 491338158 /nfs/dbraw/zinc/33/81/58/491338158.db2.gz WWUPFVNZULYSPF-XHSDSOJGSA-N 2 0 364.494 0.822 10 0 FCAERP COCC[N@H+](C)CCN1C[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)CC1=O ZINC000556928394 491343713 /nfs/dbraw/zinc/34/37/13/491343713.db2.gz AMHNKCCLXUSKLY-SJORKVTESA-N 2 0 368.522 0.546 10 0 FCAERP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000565044061 491347611 /nfs/dbraw/zinc/34/76/11/491347611.db2.gz MJJOKCDSKPZZLP-QFBILLFUSA-N 2 0 364.534 0.948 10 0 FCAERP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000565044049 491347646 /nfs/dbraw/zinc/34/76/46/491347646.db2.gz MJJOKCDSKPZZLP-APWZRJJASA-N 2 0 364.534 0.948 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000572118052 491349455 /nfs/dbraw/zinc/34/94/55/491349455.db2.gz IYKMXCFJSXLKIL-CVEARBPZSA-N 2 0 360.506 0.729 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000515386399 490823674 /nfs/dbraw/zinc/82/36/74/490823674.db2.gz MBWLNBBWVLZBNN-BSDSXHPESA-N 2 0 352.523 0.519 10 0 FCAERP CS[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1[NH+](C)C ZINC000557244098 491361207 /nfs/dbraw/zinc/36/12/07/491361207.db2.gz JBAPKGKSFUIORD-HZPDHXFCSA-N 2 0 363.531 0.951 10 0 FCAERP C[C@@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C[NH+]1CCCC1 ZINC000529297117 490848104 /nfs/dbraw/zinc/84/81/04/490848104.db2.gz JSYSBLSNRCTMGK-INIZCTEOSA-N 2 0 366.510 0.071 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529308512 490849573 /nfs/dbraw/zinc/84/95/73/490849573.db2.gz ULCVJRFFELLDEM-ROUUACIJSA-N 2 0 368.522 0.897 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529341785 490855264 /nfs/dbraw/zinc/85/52/64/490855264.db2.gz HVUDFSMNBUSMED-HNNXBMFYSA-N 2 0 351.495 0.561 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C2CC2)C(C)(C)CO)C1 ZINC000516259960 490858702 /nfs/dbraw/zinc/85/87/02/490858702.db2.gz XNWMJDYNHYQYBE-WMZOPIPTSA-N 2 0 355.523 0.846 10 0 FCAERP CN(C)C(=O)CC[NH+]1CCC(NC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000541854895 490875464 /nfs/dbraw/zinc/87/54/64/490875464.db2.gz XELHYOFEVUZNCS-UHFFFAOYSA-N 2 0 361.490 0.967 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000517384475 490906797 /nfs/dbraw/zinc/90/67/97/490906797.db2.gz BKRAHECZHDSSGZ-WBVHZDCISA-N 2 0 366.506 0.156 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCc1nnc2ccccn21 ZINC000531156028 490943506 /nfs/dbraw/zinc/94/35/06/490943506.db2.gz IMAYUFACDAUYDS-UHFFFAOYSA-N 2 0 361.494 0.797 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCCn2cc(Br)cn2)CC1 ZINC000518759155 490950435 /nfs/dbraw/zinc/95/04/35/490950435.db2.gz LNFXLMJANBVUPB-HNNXBMFYSA-N 2 0 374.327 0.624 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000557493303 491378206 /nfs/dbraw/zinc/37/82/06/491378206.db2.gz MOBHYJCDUFKVQO-KRWDZBQOSA-N 2 0 366.506 0.204 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000557493616 491378489 /nfs/dbraw/zinc/37/84/89/491378489.db2.gz PYRHESPOORCDQL-CVEARBPZSA-N 2 0 354.495 0.014 10 0 FCAERP CCO[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1n1cccn1 ZINC000565643370 491390350 /nfs/dbraw/zinc/39/03/50/491390350.db2.gz OMKLBWHCKMWAFZ-BBWFWOEESA-N 2 0 366.510 0.736 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000565907022 491406843 /nfs/dbraw/zinc/40/68/43/491406843.db2.gz PRSBDARUBKVSQJ-HWOWSKLDSA-N 2 0 350.507 0.824 10 0 FCAERP C[N@H+](CC[C@@H]1CCNC1=O)[C@@H]1CCC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000573101397 491413192 /nfs/dbraw/zinc/41/31/92/491413192.db2.gz KNVMVQLGLKOCFU-GVDBMIGSSA-N 2 0 350.507 0.825 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cn2)CC1 ZINC000573189455 491417916 /nfs/dbraw/zinc/41/79/16/491417916.db2.gz YWPPPKDLDGFUNY-CALCHBBNSA-N 2 0 358.490 0.869 10 0 FCAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000566233299 491428347 /nfs/dbraw/zinc/42/83/47/491428347.db2.gz IODVFPRFBUOXJG-SJLPKXTDSA-N 2 0 356.470 0.768 10 0 FCAERP CCN(C(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000668372534 493342548 /nfs/dbraw/zinc/34/25/48/493342548.db2.gz KNJOOCBDXJYFCD-ZWKOTPCHSA-N 2 0 358.486 0.930 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000566350665 491438876 /nfs/dbraw/zinc/43/88/76/491438876.db2.gz JPDNXOJUSGHDIB-OAHLLOKOSA-N 2 0 354.495 0.156 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)CC1 ZINC000558630001 491439103 /nfs/dbraw/zinc/43/91/03/491439103.db2.gz PQXUGZRKHYXGMX-VQTJNVASSA-N 2 0 370.497 0.788 10 0 FCAERP COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1=O ZINC000673549975 493344309 /nfs/dbraw/zinc/34/43/09/493344309.db2.gz HLZDZZQRRPHEJU-AWEZNQCLSA-N 2 0 363.462 0.057 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000566929033 491476122 /nfs/dbraw/zinc/47/61/22/491476122.db2.gz KDGPFGPKXPTNCB-UHFFFAOYSA-N 2 0 361.490 0.572 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000559569300 491482073 /nfs/dbraw/zinc/48/20/73/491482073.db2.gz PXTSZVONCCCCDX-RHSMWYFYSA-N 2 0 350.507 0.918 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000668389271 493345553 /nfs/dbraw/zinc/34/55/53/493345553.db2.gz VLCMTTSWZYKSHY-JKSUJKDBSA-N 2 0 368.522 0.448 10 0 FCAERP CCN(C(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CC[N@H+](C)C1 ZINC000668388905 493346074 /nfs/dbraw/zinc/34/60/74/493346074.db2.gz NAVRFPKYRHLKMO-CVEARBPZSA-N 2 0 354.495 0.012 10 0 FCAERP CN(C)c1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c2ccccc2n1 ZINC000567345880 491500674 /nfs/dbraw/zinc/50/06/74/491500674.db2.gz XNRXGLUAFVCKDO-QGZVFWFLSA-N 2 0 357.502 0.999 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000560023719 491515977 /nfs/dbraw/zinc/51/59/77/491515977.db2.gz HGYIYQSTOWMWAW-SJORKVTESA-N 2 0 350.507 0.968 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000567708570 491524391 /nfs/dbraw/zinc/52/43/91/491524391.db2.gz RQBHYXTZZKBWQP-ZWKOTPCHSA-N 2 0 361.490 0.491 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000575319871 491548120 /nfs/dbraw/zinc/54/81/20/491548120.db2.gz FPDVYNVKJPLKSZ-IPMKNSEASA-N 3 0 366.550 0.781 10 0 FCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000575398374 491551817 /nfs/dbraw/zinc/55/18/17/491551817.db2.gz JYFYBCGSYLCAOH-UHFFFAOYSA-N 2 0 354.495 0.286 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000575430991 491554473 /nfs/dbraw/zinc/55/44/73/491554473.db2.gz QPWWJDVMXYXARM-UHFFFAOYSA-N 2 0 353.511 0.938 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000561120434 491575760 /nfs/dbraw/zinc/57/57/60/491575760.db2.gz FHCYGEZHYDGYHJ-XHSDSOJGSA-N 2 0 354.495 0.012 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000561121504 491576639 /nfs/dbraw/zinc/57/66/39/491576639.db2.gz NUDIVPNOLPAVCH-GVDBMIGSSA-N 2 0 366.506 0.156 10 0 FCAERP CN(C)[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000576030073 491576957 /nfs/dbraw/zinc/57/69/57/491576957.db2.gz MNLIPHHSKAPGRB-RHSMWYFYSA-N 2 0 356.461 0.765 10 0 FCAERP C[NH+]1CCC[C@@H](NC(=O)c2cc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)ccn2)C1 ZINC000673661245 493354072 /nfs/dbraw/zinc/35/40/72/493354072.db2.gz GWZZNHULNACLBF-HZPDHXFCSA-N 2 0 359.474 0.730 10 0 FCAERP C[NH+]1CCC[C@H](NC(=O)c2cc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)ccn2)C1 ZINC000673661238 493354714 /nfs/dbraw/zinc/35/47/14/493354714.db2.gz GWZZNHULNACLBF-CVEARBPZSA-N 2 0 359.474 0.730 10 0 FCAERP CC(C)N1CC[C@H](NC(=O)C(=O)NC2C[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000577607121 491635538 /nfs/dbraw/zinc/63/55/38/491635538.db2.gz OMSUQDRHIYZBIV-JKSUJKDBSA-N 2 0 366.412 0.693 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCNC(=O)c2cccc(F)c2)CC1 ZINC000576696824 491636820 /nfs/dbraw/zinc/63/68/20/491636820.db2.gz RTZIJDOAVWXOCK-QGZVFWFLSA-N 2 0 352.454 0.144 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000576835648 491649400 /nfs/dbraw/zinc/64/94/00/491649400.db2.gz IWSOAFQXCTWCHD-QGZVFWFLSA-N 2 0 360.506 0.837 10 0 FCAERP COc1ccc(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c(OC)c1OC ZINC000576863153 491652023 /nfs/dbraw/zinc/65/20/23/491652023.db2.gz HGHPIFHQGKAULG-MRXNPFEDSA-N 2 0 367.490 0.453 10 0 FCAERP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000578393606 491676336 /nfs/dbraw/zinc/67/63/36/491676336.db2.gz HZIOCRNVJXRHDX-RDJZCZTQSA-N 2 0 366.506 0.299 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+]1CCC(C)CC1 ZINC000578625513 491681075 /nfs/dbraw/zinc/68/10/75/491681075.db2.gz DJMNCMWQNHDHEZ-APWZRJJASA-N 2 0 350.507 0.825 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579572897 491700748 /nfs/dbraw/zinc/70/07/48/491700748.db2.gz CSZIAIPCZTWFHY-GHTZIAJQSA-N 2 0 372.513 0.878 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000579766065 491705016 /nfs/dbraw/zinc/70/50/16/491705016.db2.gz HBKCKVBQFOVSCQ-KRWDZBQOSA-N 2 0 361.490 0.601 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579812104 491705701 /nfs/dbraw/zinc/70/57/01/491705701.db2.gz QNANVALMTQKENN-VQIMIIECSA-N 2 0 365.522 0.714 10 0 FCAERP COCC[N@H+](C)CCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660584463 493364234 /nfs/dbraw/zinc/36/42/34/493364234.db2.gz KYAFIMZGSPCWLS-UHFFFAOYSA-N 2 0 356.511 0.755 10 0 FCAERP [NH3+]Cc1nnc(-c2ccc(NC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)cc2)[nH]1 ZINC000582605433 491819467 /nfs/dbraw/zinc/81/94/67/491819467.db2.gz YDAAHJDMJOTSPC-YHWZYXNKSA-N 2 0 354.414 0.684 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000583428511 491844640 /nfs/dbraw/zinc/84/46/40/491844640.db2.gz ATMXGXLYSUECKB-HNNXBMFYSA-N 2 0 360.458 0.234 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000611956349 491885407 /nfs/dbraw/zinc/88/54/07/491885407.db2.gz PAJWZXIHDCFYGO-IRXDYDNUSA-N 2 0 368.522 0.404 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CCO1 ZINC000611987229 491888265 /nfs/dbraw/zinc/88/82/65/491888265.db2.gz FMIVAXFGMAYUQE-OFLPRAFFSA-N 2 0 368.522 0.545 10 0 FCAERP COC(=O)C1(CS(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)CC1 ZINC000601396512 491912773 /nfs/dbraw/zinc/91/27/73/491912773.db2.gz FFYLDPGPINJDIF-UHFFFAOYSA-N 2 0 361.508 0.227 10 0 FCAERP COC(=O)CCN1CCC[C@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000595298847 491914597 /nfs/dbraw/zinc/91/45/97/491914597.db2.gz UFCJKQOFJMVGSJ-KRWDZBQOSA-N 2 0 367.490 0.585 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612591801 491935675 /nfs/dbraw/zinc/93/56/75/491935675.db2.gz JGIMKNLNNOOQDB-JKSUJKDBSA-N 2 0 366.506 0.345 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@H]1CC12CC[NH2+]CC2)C(=O)NCC[NH+](C)C ZINC000612973894 491960658 /nfs/dbraw/zinc/96/06/58/491960658.db2.gz BKZBSHHHFLISMO-GJZGRUSLSA-N 2 0 353.511 0.520 10 0 FCAERP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000602155189 491964453 /nfs/dbraw/zinc/96/44/53/491964453.db2.gz CMKSVYGJSKTZPU-KRWDZBQOSA-N 2 0 361.490 0.674 10 0 FCAERP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000614506342 492034302 /nfs/dbraw/zinc/03/43/02/492034302.db2.gz GGEFPHKLPWWVNG-OALUTQOASA-N 2 0 357.502 0.800 10 0 FCAERP C[NH+]1CCC[C@@H]1C(=O)NCC1(CNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC000614860468 492060702 /nfs/dbraw/zinc/06/07/02/492060702.db2.gz HPAGPERHSYGQPY-HZPDHXFCSA-N 2 0 366.506 0.204 10 0 FCAERP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCCC[NH+]3CCOCC3)CC2)C1 ZINC000604639550 492065075 /nfs/dbraw/zinc/06/50/75/492065075.db2.gz ZCHQVVJVZQKLPZ-GOSISDBHSA-N 2 0 367.538 0.520 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@](C)(CO)c2ccccc2)C1 ZINC000599173832 492139173 /nfs/dbraw/zinc/13/91/73/492139173.db2.gz ZELAHUXEUUFQQT-ICSRJNTNSA-N 2 0 363.502 0.957 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)CCCCCC(=O)N(C)CC1C[NH+](C)C1 ZINC000618194238 492214553 /nfs/dbraw/zinc/21/45/53/492214553.db2.gz VSQZPUGUQKTIMS-UHFFFAOYSA-N 2 0 352.523 0.977 10 0 FCAERP CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000611027550 492276274 /nfs/dbraw/zinc/27/62/74/492276274.db2.gz AYBIQXUWEQDEKY-GJZGRUSLSA-N 2 0 353.463 0.731 10 0 FCAERP O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654384307 492296554 /nfs/dbraw/zinc/29/65/54/492296554.db2.gz SPQRBZUTXQPXCF-JKSUJKDBSA-N 2 0 368.547 0.808 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000627458629 492303982 /nfs/dbraw/zinc/30/39/82/492303982.db2.gz LDQBYNWQXHXSFC-OWCLPIDISA-N 2 0 354.495 0.202 10 0 FCAERP C[N@H+](CCNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)Cc1ccc(F)cc1 ZINC000654474490 492308431 /nfs/dbraw/zinc/30/84/31/492308431.db2.gz PBUCQAUXHKAJLH-DLBZAZTESA-N 2 0 350.438 0.718 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000647561879 492309539 /nfs/dbraw/zinc/30/95/39/492309539.db2.gz IGCBKTKAVCBCMN-HZPDHXFCSA-N 2 0 366.506 0.251 10 0 FCAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473252 492311674 /nfs/dbraw/zinc/31/16/74/492311674.db2.gz JXNVNXIMQVDVMZ-SJLPKXTDSA-N 2 0 374.485 0.214 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[NH2+]1 ZINC000627477298 492314513 /nfs/dbraw/zinc/31/45/13/492314513.db2.gz UPGRNMIGCLMMSE-HOTGVXAUSA-N 2 0 366.506 0.347 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]1 ZINC000627477369 492314542 /nfs/dbraw/zinc/31/45/42/492314542.db2.gz VCIVZFRNKFSVCN-DSLXNQLJSA-N 2 0 370.497 0.976 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000627481152 492316735 /nfs/dbraw/zinc/31/67/35/492316735.db2.gz ZNQVJBIOAHYVPX-WMZOPIPTSA-N 2 0 358.486 0.978 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C[NH2+]1 ZINC000627483688 492317883 /nfs/dbraw/zinc/31/78/83/492317883.db2.gz JSDLMXOUSBZIJK-RHSMWYFYSA-N 2 0 364.465 0.973 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627499317 492324173 /nfs/dbraw/zinc/32/41/73/492324173.db2.gz IDDLQSBZEUVDQZ-CGTJXYLNSA-N 2 0 373.501 0.761 10 0 FCAERP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)C1=O ZINC000647600997 492333124 /nfs/dbraw/zinc/33/31/24/492333124.db2.gz RLMBBNAKHJHQPJ-IAGOWNOFSA-N 2 0 372.469 0.314 10 0 FCAERP C[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000634729778 492364836 /nfs/dbraw/zinc/36/48/36/492364836.db2.gz WHWRKGLEQSBZLH-RDJZCZTQSA-N 2 0 369.531 0.392 10 0 FCAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000642894354 492398444 /nfs/dbraw/zinc/39/84/44/492398444.db2.gz OJCGATNZOWYDRK-INIZCTEOSA-N 2 0 358.486 0.978 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000642985349 492411303 /nfs/dbraw/zinc/41/13/03/492411303.db2.gz BQSHRGWCTYXOJX-NXHRZFHOSA-N 2 0 358.486 0.834 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)[C@@H]1c1ccccc1 ZINC000621837550 492421210 /nfs/dbraw/zinc/42/12/10/492421210.db2.gz KMWXNRPHBCFSCZ-OGNFBWPZSA-N 2 0 356.470 0.888 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)[C@@H]1c1ccccc1 ZINC000643469971 492471547 /nfs/dbraw/zinc/47/15/47/492471547.db2.gz APAHBAQXCJGZEP-IRXDYDNUSA-N 2 0 356.470 0.903 10 0 FCAERP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000643504753 492483946 /nfs/dbraw/zinc/48/39/46/492483946.db2.gz MAAPWWVVQTUDSZ-JYJNAYRXSA-N 2 0 352.479 0.038 10 0 FCAERP CN1CC[NH+](CC2(C)CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)CC1 ZINC000655924009 492490128 /nfs/dbraw/zinc/49/01/28/492490128.db2.gz DDSJAXGGSDIZMM-ZDUSSCGKSA-N 2 0 365.444 0.935 10 0 FCAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649234639 492512895 /nfs/dbraw/zinc/51/28/95/492512895.db2.gz JWHNHSVLPNSQDS-GOEBONIOSA-N 2 0 354.495 0.358 10 0 FCAERP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000649418290 492553090 /nfs/dbraw/zinc/55/30/90/492553090.db2.gz XCQNWWGCSXMWTC-ZACQAIPSSA-N 2 0 358.490 0.445 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000649418773 492553387 /nfs/dbraw/zinc/55/33/87/492553387.db2.gz DVMGRNXGPGECAH-IPMKNSEASA-N 2 0 366.550 0.923 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1=O ZINC000649493535 492558111 /nfs/dbraw/zinc/55/81/11/492558111.db2.gz QEFJFABIPVDGGB-CQSZACIVSA-N 2 0 367.519 0.766 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1)c1cccs1 ZINC000656284792 492569427 /nfs/dbraw/zinc/56/94/27/492569427.db2.gz ZBMDXIQWGZGBQO-MJBXVCDLSA-N 2 0 352.504 0.923 10 0 FCAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650303810 492629905 /nfs/dbraw/zinc/62/99/05/492629905.db2.gz QQOPBKSEWHUOCD-UHFFFAOYSA-N 2 0 362.474 0.473 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCC[C@H]([NH+]3CCCC3)CC1)C2 ZINC000629797484 492676729 /nfs/dbraw/zinc/67/67/29/492676729.db2.gz CTXHAEHUZNSBIJ-FFZOFVMBSA-N 2 0 362.518 0.921 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000629809304 492682904 /nfs/dbraw/zinc/68/29/04/492682904.db2.gz PWQAQNVKMMSHKX-IYBDPMFKSA-N 2 0 366.506 0.299 10 0 FCAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000629817142 492687110 /nfs/dbraw/zinc/68/71/10/492687110.db2.gz KNSHUNIFLXBYAI-MRXNPFEDSA-N 2 0 368.522 0.532 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000629818064 492688105 /nfs/dbraw/zinc/68/81/05/492688105.db2.gz HTCGUSULZDXQCO-HNAYVOBHSA-N 2 0 364.490 0.040 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1=O ZINC000651068196 492703264 /nfs/dbraw/zinc/70/32/64/492703264.db2.gz MVHNJFOHZNQHBO-HNNXBMFYSA-N 2 0 353.511 0.522 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000657574527 492762270 /nfs/dbraw/zinc/76/22/70/492762270.db2.gz YEJDLMHPOUZJDQ-KRWDZBQOSA-N 2 0 363.554 0.590 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000625384878 492770943 /nfs/dbraw/zinc/77/09/43/492770943.db2.gz YIQPFUPYSFKCPH-UHFFFAOYSA-N 2 0 354.495 0.110 10 0 FCAERP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CNC(=O)c4ccccc43)C2)CC1 ZINC000625522175 492809791 /nfs/dbraw/zinc/80/97/91/492809791.db2.gz LNOOCCRAVWUUAU-KBXCAEBGSA-N 2 0 356.470 0.798 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625746371 492876892 /nfs/dbraw/zinc/87/68/92/492876892.db2.gz HZZNIXWSBQIJBI-INIZCTEOSA-N 2 0 366.506 0.252 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000631912673 492878899 /nfs/dbraw/zinc/87/88/99/492878899.db2.gz SDKYZFYMLRJCCZ-AWEZNQCLSA-N 2 0 363.549 0.256 10 0 FCAERP C[NH+](C)CCCOc1ccc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000631917108 492882609 /nfs/dbraw/zinc/88/26/09/492882609.db2.gz GDLWYGAVVBJDLN-QGZVFWFLSA-N 2 0 371.503 0.425 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000652153906 492888097 /nfs/dbraw/zinc/88/80/97/492888097.db2.gz RQEPRRSWQARHSI-ZMSDIMECSA-N 2 0 354.495 0.493 10 0 FCAERP [NH3+][C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[C@H]1c1ccc(F)cc1 ZINC000631952389 492896645 /nfs/dbraw/zinc/89/66/45/492896645.db2.gz GQBBQGYPCCGIHB-HRCADAONSA-N 2 0 357.451 0.261 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000645352524 492897350 /nfs/dbraw/zinc/89/73/50/492897350.db2.gz BUVOLNBWGXDIJP-GJZGRUSLSA-N 2 0 353.511 0.868 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000658476607 492908309 /nfs/dbraw/zinc/90/83/09/492908309.db2.gz PZSFHAVOZJFWHR-UHFFFAOYSA-N 2 0 364.465 0.736 10 0 FCAERP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652360637 492916519 /nfs/dbraw/zinc/91/65/19/492916519.db2.gz NJFRKTSFHZGVQS-OAGGEKHMSA-N 2 0 354.495 0.332 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC2C[NH+](C)C2)o1 ZINC000658505106 492918242 /nfs/dbraw/zinc/91/82/42/492918242.db2.gz VJUNJMMWBFDUIN-UHFFFAOYSA-N 2 0 350.463 0.498 10 0 FCAERP Cc1cn2c(n1)C[C@@H](C(=O)N1CC[C@H](OCCN3CCOCC3)C1)CC2 ZINC000626105939 492933594 /nfs/dbraw/zinc/93/35/94/492933594.db2.gz VJQIKXDUPYSGDZ-IRXDYDNUSA-N 2 0 362.474 0.704 10 0 FCAERP CN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000658542504 492939967 /nfs/dbraw/zinc/93/99/67/492939967.db2.gz VHWYDSISMCXJFV-SJORKVTESA-N 2 0 366.506 0.251 10 0 FCAERP C[NH+](C)CCCS(=O)(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000632146194 492940054 /nfs/dbraw/zinc/94/00/54/492940054.db2.gz XJDUPCICZYLCGQ-SJPCQFCGSA-N 2 0 358.552 0.511 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000645622604 492945778 /nfs/dbraw/zinc/94/57/78/492945778.db2.gz LMVCEJWQXJXKSV-HOCLYGCPSA-N 2 0 374.489 0.641 10 0 FCAERP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000645623989 492947034 /nfs/dbraw/zinc/94/70/34/492947034.db2.gz SAKCVVABUGVNRS-ZBFHGGJFSA-N 2 0 360.458 0.858 10 0 FCAERP CN(C(=O)NCCCc1ncn(C)n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645770590 492973264 /nfs/dbraw/zinc/97/32/64/492973264.db2.gz SIHRIFQEDAUEHD-MRXNPFEDSA-N 2 0 363.510 0.558 10 0 FCAERP COc1cccc([C@@H](CNC(=O)C(=O)NCCC2(C[NH3+])CC2)[NH+](C)C)c1 ZINC000652666411 492982328 /nfs/dbraw/zinc/98/23/28/492982328.db2.gz GRBGLULUXAQMNF-MRXNPFEDSA-N 2 0 362.474 0.659 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCCC2CC[NH+](CC)CC2)C[C@H]1C[NH3+] ZINC000652668354 492982948 /nfs/dbraw/zinc/98/29/48/492982948.db2.gz YGDFRMSSEPTHJQ-HZPDHXFCSA-N 2 0 354.495 0.047 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000652672112 492984108 /nfs/dbraw/zinc/98/41/08/492984108.db2.gz YZHZLAFVKBJINE-HOTGVXAUSA-N 2 0 366.506 0.116 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C[NH3+] ZINC000652676958 492986403 /nfs/dbraw/zinc/98/64/03/492986403.db2.gz LNRWNDZCKLFGKT-GVDBMIGSSA-N 2 0 368.522 0.293 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000652678202 492986728 /nfs/dbraw/zinc/98/67/28/492986728.db2.gz XBTWFEYQMCZIQX-BZUAXINKSA-N 2 0 354.495 0.045 10 0 FCAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000658644079 492989345 /nfs/dbraw/zinc/98/93/45/492989345.db2.gz LUOHEFVAOGQJCI-HRCADAONSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000652684136 492989646 /nfs/dbraw/zinc/98/96/46/492989646.db2.gz GCPWBYWJOZUOFG-QGZVFWFLSA-N 2 0 362.474 0.249 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000652683421 492989881 /nfs/dbraw/zinc/98/98/81/492989881.db2.gz NNIUZIRGFGLYNO-BRWVUGGUSA-N 2 0 368.522 0.579 10 0 FCAERP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652711371 492997425 /nfs/dbraw/zinc/99/74/25/492997425.db2.gz PSUJXUQCSDHSRD-UHFFFAOYSA-N 2 0 352.504 0.884 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000652715600 492999386 /nfs/dbraw/zinc/99/93/86/492999386.db2.gz JMQJMJLMIGWVIX-INIZCTEOSA-N 2 0 361.490 0.091 10 0 FCAERP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658689753 493008823 /nfs/dbraw/zinc/00/88/23/493008823.db2.gz NMDXJCOUGBNUGY-INIZCTEOSA-N 2 0 354.495 0.108 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626806857 493022782 /nfs/dbraw/zinc/02/27/82/493022782.db2.gz WTFUJDHAYAYONN-UHFFFAOYSA-N 2 0 364.446 0.192 10 0 FCAERP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000658748541 493039619 /nfs/dbraw/zinc/03/96/19/493039619.db2.gz PVIQGXUTKGMLST-IRXDYDNUSA-N 2 0 368.522 0.545 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000658748540 493039923 /nfs/dbraw/zinc/03/99/23/493039923.db2.gz PVIQGXUTKGMLST-IAGOWNOFSA-N 2 0 368.522 0.545 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658748133 493040021 /nfs/dbraw/zinc/04/00/21/493040021.db2.gz KBWMAPMLASUYNY-NVXWUHKLSA-N 2 0 366.506 0.033 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000658801205 493058971 /nfs/dbraw/zinc/05/89/71/493058971.db2.gz GJGUZSRRSCSTQZ-IRXDYDNUSA-N 2 0 350.507 0.729 10 0 FCAERP CCC1([NH+](C)C)CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632660423 493060056 /nfs/dbraw/zinc/06/00/56/493060056.db2.gz IUJWUBFAJDTGTC-UHFFFAOYSA-N 2 0 360.568 0.760 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000626929047 493065546 /nfs/dbraw/zinc/06/55/46/493065546.db2.gz NXDDTMWHZGFSIY-UHFFFAOYSA-N 2 0 364.494 0.211 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)NCCOCC[NH2+]C)cn2)CC1 ZINC000626933155 493066661 /nfs/dbraw/zinc/06/66/61/493066661.db2.gz RIXXANLHVHPPOE-UHFFFAOYSA-N 2 0 364.494 0.259 10 0 FCAERP C[NH+](C)CCOc1ccccc1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626956418 493070062 /nfs/dbraw/zinc/07/00/62/493070062.db2.gz NXJMGICBKVZGKW-UHFFFAOYSA-N 2 0 350.463 0.934 10 0 FCAERP COc1cc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)ccc1OCC[NH+](C)C ZINC000653111102 493071441 /nfs/dbraw/zinc/07/14/41/493071441.db2.gz DJOCMGUESZWFNE-KXBFYZLASA-N 2 0 363.458 0.488 10 0 FCAERP CCN(C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658826048 493072697 /nfs/dbraw/zinc/07/26/97/493072697.db2.gz NAPRGFCZZGJYML-MRXNPFEDSA-N 2 0 368.522 0.498 10 0 FCAERP C[NH2+]CCOCCNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000626995965 493076382 /nfs/dbraw/zinc/07/63/82/493076382.db2.gz YNEYYKQFCBPKCA-UHFFFAOYSA-N 2 0 364.490 0.679 10 0 FCAERP [NH3+]CCCOCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000627019860 493081987 /nfs/dbraw/zinc/08/19/87/493081987.db2.gz SPSBPRRWLXYMBQ-SFHVURJKSA-N 2 0 364.490 0.942 10 0 FCAERP COCC1(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC[NH2+]CC1 ZINC000627091638 493087516 /nfs/dbraw/zinc/08/75/16/493087516.db2.gz VROKOLBOSJJPQR-QGZVFWFLSA-N 2 0 368.522 0.803 10 0 FCAERP [NH3+]C1(CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627162021 493099194 /nfs/dbraw/zinc/09/91/94/493099194.db2.gz LRNLFQJOICZFKR-LJQANCHMSA-N 2 0 362.474 0.431 10 0 FCAERP C[NH2+]CCOCCNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000627175210 493100665 /nfs/dbraw/zinc/10/06/65/493100665.db2.gz UJWILYCRHHBIBR-UHFFFAOYSA-N 2 0 355.527 0.422 10 0 FCAERP C[NH2+]CCOCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000627174598 493101121 /nfs/dbraw/zinc/10/11/21/493101121.db2.gz LXDAAGNNLBRTPE-SJPCQFCGSA-N 2 0 353.511 0.175 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)cn2)CC1 ZINC000633003702 493101740 /nfs/dbraw/zinc/10/17/40/493101740.db2.gz TWWFJKBGNRXRRP-IBGZPJMESA-N 2 0 374.489 0.690 10 0 FCAERP O=C(NC[C@@H]1COCC[NH2+]1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000627191383 493104931 /nfs/dbraw/zinc/10/49/31/493104931.db2.gz QPUCJCKGPFQZMV-QGZVFWFLSA-N 2 0 373.501 0.629 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C[C@H]1C[NH3+] ZINC000633027581 493105000 /nfs/dbraw/zinc/10/50/00/493105000.db2.gz YOLLVFYCZADDEV-CHWSQXEVSA-N 2 0 366.437 0.758 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000653372203 493105247 /nfs/dbraw/zinc/10/52/47/493105247.db2.gz BPXUMSNUSGCAJZ-QGZVFWFLSA-N 2 0 358.552 0.634 10 0 FCAERP Cc1cn2cc(NC(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)ccc2n1 ZINC000658902842 493106849 /nfs/dbraw/zinc/10/68/49/493106849.db2.gz GXCLLOFOCXLCPY-MRXNPFEDSA-N 2 0 371.441 0.639 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627206701 493107126 /nfs/dbraw/zinc/10/71/26/493107126.db2.gz IAGPRDBEHCRISW-CVEARBPZSA-N 2 0 356.511 0.896 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658904040 493108220 /nfs/dbraw/zinc/10/82/20/493108220.db2.gz QLKKULCKXIIIOU-CVEARBPZSA-N 2 0 366.506 0.033 10 0 FCAERP [NH3+]CCCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000627214352 493108523 /nfs/dbraw/zinc/10/85/23/493108523.db2.gz JYESLYNUWZLNOP-QZTJIDSGSA-N 2 0 364.490 0.534 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653388970 493114155 /nfs/dbraw/zinc/11/41/55/493114155.db2.gz QIOAIEWCGULFDD-INIZCTEOSA-N 2 0 354.495 0.158 10 0 FCAERP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633094660 493122519 /nfs/dbraw/zinc/12/25/19/493122519.db2.gz LLWFVBNCONPNEJ-HOTGVXAUSA-N 2 0 366.506 0.428 10 0 FCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633092623 493122577 /nfs/dbraw/zinc/12/25/77/493122577.db2.gz AOLGOEHEICSAIN-OAHLLOKOSA-N 2 0 350.463 0.900 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@H]5C[N@@H+](C)C[C@H]54)o3)[C@H]2C1 ZINC000646915801 493125400 /nfs/dbraw/zinc/12/54/00/493125400.db2.gz VHUYCLMIOFMHOL-SYMSYNOKSA-N 2 0 372.469 0.832 10 0 FCAERP Cc1ccncc1N1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000633102087 493125986 /nfs/dbraw/zinc/12/59/86/493125986.db2.gz QMTLMHINCPUJCM-INIZCTEOSA-N 2 0 359.474 0.769 10 0 FCAERP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000659023178 493126961 /nfs/dbraw/zinc/12/69/61/493126961.db2.gz WBWCQIRLHMDPEP-UHFFFAOYSA-N 2 0 365.453 0.955 10 0 FCAERP [NH3+]C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(F)(F)F ZINC000659025261 493127544 /nfs/dbraw/zinc/12/75/44/493127544.db2.gz PMKFYYQOQHUAHA-KGLIPLIRSA-N 2 0 360.380 0.942 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)C[C@H]1C[NH3+] ZINC000633113630 493131534 /nfs/dbraw/zinc/13/15/34/493131534.db2.gz PLNQEHWAHRHMDM-HUUCEWRRSA-N 2 0 350.463 0.613 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1cccs1 ZINC000627290252 493135498 /nfs/dbraw/zinc/13/54/98/493135498.db2.gz JIGHBGKVBVCDTK-XWIAVFTESA-N 2 0 364.515 0.925 10 0 FCAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659071091 493138380 /nfs/dbraw/zinc/13/83/80/493138380.db2.gz FMSQPYCKCYLXQR-KDOFPFPSSA-N 2 0 372.469 0.887 10 0 FCAERP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297076 493139311 /nfs/dbraw/zinc/13/93/11/493139311.db2.gz BCDMYEIUCBSERC-CABCVRRESA-N 2 0 366.506 0.380 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000627297701 493140372 /nfs/dbraw/zinc/14/03/72/493140372.db2.gz QWWBHDMVSOEXSZ-SJORKVTESA-N 2 0 362.474 0.242 10 0 FCAERP C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[N@H+](C)C1CC1 ZINC000659078387 493142098 /nfs/dbraw/zinc/14/20/98/493142098.db2.gz IDRJPSSHYABGGE-GUYCJALGSA-N 2 0 360.458 0.885 10 0 FCAERP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659077490 493142138 /nfs/dbraw/zinc/14/21/38/493142138.db2.gz DRNRNLZZHLXYKT-WMLDXEAASA-N 2 0 360.458 0.696 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1C ZINC000659077944 493142213 /nfs/dbraw/zinc/14/22/13/493142213.db2.gz GBFXDOLQWDPWRJ-XYPHTWIQSA-N 2 0 360.458 0.885 10 0 FCAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627311501 493145833 /nfs/dbraw/zinc/14/58/33/493145833.db2.gz ABOWCUPMFNWAPX-ZNMIVQPWSA-N 2 0 354.495 0.093 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659088879 493148297 /nfs/dbraw/zinc/14/82/97/493148297.db2.gz SVKAMAMMPTZIKT-XKQJLSEDSA-N 2 0 360.458 0.742 10 0 FCAERP CC(C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[NH+]1CCCCCC1 ZINC000627325149 493153819 /nfs/dbraw/zinc/15/38/19/493153819.db2.gz ZRFKTOHXPVSVKN-INIZCTEOSA-N 2 0 368.522 0.627 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000627325713 493154830 /nfs/dbraw/zinc/15/48/30/493154830.db2.gz RYMWNJQYUMPFLA-XJKSGUPXSA-N 2 0 364.515 0.943 10 0 FCAERP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)cccc21 ZINC000659105008 493154850 /nfs/dbraw/zinc/15/48/50/493154850.db2.gz YMYRTVKGFNYEJI-WXYZLBAPSA-N 2 0 358.442 0.879 10 0 FCAERP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627328581 493156365 /nfs/dbraw/zinc/15/63/65/493156365.db2.gz GNVAKUNWISFYMN-UHFFFAOYSA-N 2 0 368.522 0.485 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627328404 493156488 /nfs/dbraw/zinc/15/64/88/493156488.db2.gz AIHVMUVTDNEYKO-JKSUJKDBSA-N 2 0 350.507 0.871 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCOCC1 ZINC000627334391 493158686 /nfs/dbraw/zinc/15/86/86/493158686.db2.gz PCRZYYAMAAKXNE-MRXNPFEDSA-N 2 0 366.506 0.524 10 0 FCAERP 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Cc1cc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n(C2CC[NH+](C)CC2)n1 ZINC000654015505 493202127 /nfs/dbraw/zinc/20/21/27/493202127.db2.gz ZNEOFSGHUOYUHC-JKSUJKDBSA-N 2 0 362.478 0.741 10 0 FCAERP CC[NH2+]CCCNC(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000627400802 493203128 /nfs/dbraw/zinc/20/31/28/493203128.db2.gz BTTXXHDQMRVWCV-UHFFFAOYSA-N 2 0 354.495 0.206 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000659521127 493204587 /nfs/dbraw/zinc/20/45/87/493204587.db2.gz WZSURSBRJVEVSL-QGZVFWFLSA-N 2 0 361.490 0.976 10 0 FCAERP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000627420021 493209942 /nfs/dbraw/zinc/20/99/42/493209942.db2.gz WHSMWGHKWCWLTI-OAHLLOKOSA-N 2 0 354.495 0.204 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000627421739 493211048 /nfs/dbraw/zinc/21/10/48/493211048.db2.gz RMSXUXJERHXCRF-LSDHHAIUSA-N 2 0 354.495 0.332 10 0 FCAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000659556434 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CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415218409 535853123 /nfs/dbraw/zinc/85/31/23/535853123.db2.gz BHKYBXTVUGJUHF-UHFFFAOYSA-N 2 0 361.490 0.570 10 0 FCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCC[NH2+]Cc3cccnc3)CC[C@@H]21 ZINC000419844702 536376716 /nfs/dbraw/zinc/37/67/16/536376716.db2.gz CQHOXNMKYSRSQC-MSOLQXFVSA-N 2 0 373.501 0.620 10 0 FCAERP C[C@H](CNC(=O)Nc1cnn(CC[NH+](C)C)c1)C[NH+]1CCN(C)CC1 ZINC000080173406 546568990 /nfs/dbraw/zinc/56/89/90/546568990.db2.gz XDBRMGVBOPMSGK-OAHLLOKOSA-N 2 0 351.499 0.450 10 0 FCAERP CC1=CC[N@H+](CCNC(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000547270597 547048816 /nfs/dbraw/zinc/04/88/16/547048816.db2.gz ZUBUWTMBWKONOP-UHFFFAOYSA-N 2 0 351.495 0.490 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000551498566 547149078 /nfs/dbraw/zinc/14/90/78/547149078.db2.gz BXTLNDFKJMXQSO-GQGLESIBSA-N 2 0 350.507 0.966 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000551498567 547150024 /nfs/dbraw/zinc/15/00/24/547150024.db2.gz BXTLNDFKJMXQSO-SJJHQCBESA-N 2 0 350.507 0.966 10 0 FCAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000552362383 547203609 /nfs/dbraw/zinc/20/36/09/547203609.db2.gz VIJHJMCEQBAXCJ-WBVHZDCISA-N 2 0 350.507 0.918 10 0 FCAERP COCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000552969928 547243678 /nfs/dbraw/zinc/24/36/78/547243678.db2.gz YPHCPNMQNPHEBZ-MRXNPFEDSA-N 2 0 354.495 0.158 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CC(C)(C)CO1 ZINC000898670993 665896152 /nfs/dbraw/zinc/89/61/52/665896152.db2.gz PCTHKNRBIOSXJH-HNNXBMFYSA-N 2 0 356.511 0.260 10 0 FCAERP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000937302249 664908528 /nfs/dbraw/zinc/90/85/28/664908528.db2.gz GLZUKDVPPLEZTM-HMDCTGQHSA-N 2 0 350.507 0.725 10 0 FCAERP C[C@@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000897263210 665157990 /nfs/dbraw/zinc/15/79/90/665157990.db2.gz GCPIGURAZJZKSC-NXHRZFHOSA-N 2 0 350.507 0.192 10 0 FCAERP COC(=O)C[C@@H]1CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C[C@H]1C ZINC000905711247 666035567 /nfs/dbraw/zinc/03/55/67/666035567.db2.gz CTKZRGWAJQJRGN-LBTNJELSSA-N 2 0 351.447 0.992 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cnn2c1OCC(C)(C)C2 ZINC000914059854 666687516 /nfs/dbraw/zinc/68/75/16/666687516.db2.gz STNCOBLAAINYCF-UHFFFAOYSA-N 2 0 373.523 0.416 10 0 FCAERP COCC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000914397738 666751151 /nfs/dbraw/zinc/75/11/51/666751151.db2.gz KTIUARISYAOLOP-QGZVFWFLSA-N 2 0 354.495 0.650 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000917828218 667088117 /nfs/dbraw/zinc/08/81/17/667088117.db2.gz CIEMYBIFYFZDBP-DLBZAZTESA-N 2 0 354.495 0.650 10 0 FCAERP C[C@@H](CNC(=O)C[N@H+](C)CC1(O)CCCC1)[NH+](C)CC1(O)CCCC1 ZINC000930081121 667181290 /nfs/dbraw/zinc/18/12/90/667181290.db2.gz GIMKOUWQVGZAKM-INIZCTEOSA-N 2 0 355.523 0.965 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000754402684 667595903 /nfs/dbraw/zinc/59/59/03/667595903.db2.gz MAUXBTDPMSGRHC-HZPDHXFCSA-N 2 0 356.511 0.488 10 0 FCAERP O=S(=O)(NC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1)c1cccs1 ZINC000923307910 667823183 /nfs/dbraw/zinc/82/31/83/667823183.db2.gz XJTKWCQXPJBFOE-CQSZACIVSA-N 2 0 371.528 0.869 10 0 FCAERP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)CCC1 ZINC000923369776 667828389 /nfs/dbraw/zinc/82/83/89/667828389.db2.gz MSUYWLPWACDKPU-UONOGXRCSA-N 2 0 361.552 0.966 10 0 FCAERP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923396987 667830871 /nfs/dbraw/zinc/83/08/71/667830871.db2.gz ADDXTRHULGVTIL-CVEARBPZSA-N 2 0 351.495 0.786 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](O)COc1ccccc1F)C2 ZINC000923428544 667833602 /nfs/dbraw/zinc/83/36/02/667833602.db2.gz IWNPDEXJCNPEGL-LWGWVAHUSA-N 2 0 352.406 0.778 10 0 FCAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCN1C(=O)NC3(CCCC3)C1=O)CC2 ZINC000923448712 667836789 /nfs/dbraw/zinc/83/67/89/667836789.db2.gz GPUHCLQJKWFEAF-CQSZACIVSA-N 2 0 350.463 0.681 10 0 FCAERP NC(=O)c1ccc(NC(=O)CCN2CC[NH2+]CC[NH2+]CC2)cc1Cl ZINC000923461480 667837880 /nfs/dbraw/zinc/83/78/80/667837880.db2.gz PAYGKUBERQPACQ-UHFFFAOYSA-N 2 0 353.854 0.262 10 0 FCAERP C[C@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1C[NH3+] ZINC000923507845 667842220 /nfs/dbraw/zinc/84/22/20/667842220.db2.gz KVTFJXKGMIRLJQ-KBPBESRZSA-N 2 0 368.503 0.792 10 0 FCAERP CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC1 ZINC000923516337 667842771 /nfs/dbraw/zinc/84/27/71/667842771.db2.gz ZKYRHJPWYHVMMD-ZNMIVQPWSA-N 2 0 359.536 0.529 10 0 FCAERP COC(=O)[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]([C@H]2CCCO2)C1 ZINC000923555768 667848297 /nfs/dbraw/zinc/84/82/97/667848297.db2.gz VNVIMOJLFLOYDS-OWCLPIDISA-N 2 0 353.463 0.241 10 0 FCAERP Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)C3C[NH2+]C3)CC2)c1 ZINC000923588274 667852610 /nfs/dbraw/zinc/85/26/10/667852610.db2.gz WXCXBFZOKMGXHG-UHFFFAOYSA-N 2 0 366.531 0.788 10 0 FCAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923600626 667864466 /nfs/dbraw/zinc/86/44/66/667864466.db2.gz ACTQCSLPNHCHMQ-ZACQAIPSSA-N 2 0 358.552 0.559 10 0 FCAERP Cc1cc([C@@H]([NH3+])CC(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc(Cl)n1 ZINC000825626893 669463296 /nfs/dbraw/zinc/46/32/96/669463296.db2.gz CGMWXZFYYCVAKJ-ZDUSSCGKSA-N 2 0 353.854 0.324 10 0 FCAERP CC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@H](O)c1c(F)cccc1F ZINC000843094799 670774821 /nfs/dbraw/zinc/77/48/21/670774821.db2.gz LFHCAMCWDSLCCV-OWQGQXMQSA-N 2 0 357.445 0.975 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H](C)S1 ZINC000867410574 671100678 /nfs/dbraw/zinc/10/06/78/671100678.db2.gz AIEKERLCAPOSFR-CAOSSQGBSA-N 2 0 370.563 0.537 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC[C@H]1F ZINC000851685739 671457381 /nfs/dbraw/zinc/45/73/81/671457381.db2.gz FIZAAMAZGAPAIO-QDIHITRGSA-N 2 0 354.470 0.797 10 0 FCAERP CN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1CCC([NH3+])CC1 ZINC000852918798 671532128 /nfs/dbraw/zinc/53/21/28/671532128.db2.gz INCVLLGUZVLVFZ-UYSNPLJNSA-N 2 0 354.495 0.284 10 0 FCAERP Nc1cccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903562765 675945262 /nfs/dbraw/zinc/94/52/62/675945262.db2.gz SNDWCEOHNDEKSO-IYBDPMFKSA-N 2 0 350.488 0.858 10 0 FCAERP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903732189 675965099 /nfs/dbraw/zinc/96/50/99/675965099.db2.gz QIWRAPQPGRDVQK-STQMWFEESA-N 2 0 364.412 0.667 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC[C@H]1C(F)(F)F ZINC000903736679 675965527 /nfs/dbraw/zinc/96/55/27/675965527.db2.gz YTXSHFQZNKKCBQ-JHJVBQTASA-N 2 0 362.396 0.421 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000903746716 675966860 /nfs/dbraw/zinc/96/68/60/675966860.db2.gz FNHNIVNZWJBIRF-LPWJVIDDSA-N 2 0 364.412 0.523 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000903754299 675968067 /nfs/dbraw/zinc/96/80/67/675968067.db2.gz DPJALKAAORCJHR-HUUCEWRRSA-N 2 0 354.495 0.141 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903766773 675970636 /nfs/dbraw/zinc/97/06/36/675970636.db2.gz HHHVDEIXRFCEKD-QJPTWQEYSA-N 2 0 350.385 0.277 10 0 FCAERP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000903785118 675973093 /nfs/dbraw/zinc/97/30/93/675973093.db2.gz SAUAMDCSTUXZEI-HOTGVXAUSA-N 2 0 354.495 0.156 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903762472 675969764 /nfs/dbraw/zinc/96/97/64/675969764.db2.gz CMGUPXJSCVMXJO-XQQFMLRXSA-N 2 0 364.412 0.666 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cnc(N3CCOCC3)s1)C2 ZINC000903978218 675985473 /nfs/dbraw/zinc/98/54/73/675985473.db2.gz AMUNDBOBWOKFPD-AHIWAGSCSA-N 2 0 366.487 0.692 10 0 FCAERP COC(=O)CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000903897936 675981239 /nfs/dbraw/zinc/98/12/39/675981239.db2.gz KRNMVCGOKIKKCW-HNNXBMFYSA-N 2 0 351.451 0.747 10 0 FCAERP FC(F)(F)[C@@H](C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000903918546 675982437 /nfs/dbraw/zinc/98/24/37/675982437.db2.gz BDPMGOLQZOCFKL-GXTWGEPZSA-N 3 0 361.416 0.128 10 0 FCAERP COCC(COC)[NH+]1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903929146 675983369 /nfs/dbraw/zinc/98/33/69/675983369.db2.gz AWXAUZCSDQSWLE-INIZCTEOSA-N 2 0 353.511 0.125 10 0 FCAERP Cc1ccc(S(N)(=O)=O)c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1F ZINC000866010798 672259993 /nfs/dbraw/zinc/25/99/93/672259993.db2.gz NRZCXULTAOKDKP-ZIAGYGMSSA-N 2 0 372.510 0.957 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)nn1 ZINC000866688517 672288102 /nfs/dbraw/zinc/28/81/02/672288102.db2.gz RRBOERQXUOQSGY-HNNXBMFYSA-N 2 0 355.508 0.822 10 0 FCAERP C[C@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1CN(C)CCO1 ZINC000866800012 672307833 /nfs/dbraw/zinc/30/78/33/672307833.db2.gz KWSJUECJIWDXKT-MELADBBJSA-N 2 0 358.483 0.277 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)[C@H](C)C1 ZINC000867516508 672329582 /nfs/dbraw/zinc/32/95/82/672329582.db2.gz GILDXFHUKHPVEG-WCXIOVBPSA-N 2 0 350.507 0.728 10 0 FCAERP C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867588393 672342781 /nfs/dbraw/zinc/34/27/81/672342781.db2.gz ARAWGEBDHNZGLS-YYIAUSFCSA-N 2 0 360.568 0.880 10 0 FCAERP Cn1c(Cl)ncc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867590255 672343445 /nfs/dbraw/zinc/34/34/45/672343445.db2.gz YBCKIHWMNARGET-VXGBXAGGSA-N 2 0 363.915 0.433 10 0 FCAERP COc1ccc(O)c(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000867590711 672343652 /nfs/dbraw/zinc/34/36/52/672343652.db2.gz SFYPTUNAQOLLIV-ZIAGYGMSSA-N 2 0 371.503 0.761 10 0 FCAERP 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CCCCCNC(=O)C1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000592824439 1196583709 /nfs/dbraw/zinc/58/37/09/1196583709.db2.gz KIWBFDFNIYYJMZ-MRXNPFEDSA-N 2 0 366.506 0.694 10 0 FCAERP Cc1ccc(CN2CCO[C@H](CNC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)C2)cc1 ZINC000913756828 1197125068 /nfs/dbraw/zinc/12/50/68/1197125068.db2.gz GJBMKWXHKJMNGR-NSHGMRRFSA-N 2 0 361.486 0.767 10 0 FCAERP CC(C)(C)[NH+]1CC[C@H]1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000913919196 1197162255 /nfs/dbraw/zinc/16/22/55/1197162255.db2.gz FNCNSLRVAKMTKR-KFWWJZLASA-N 2 0 368.522 0.325 10 0 FCAERP c1nc2nc(N3CC[NH+](C4CC4)CC3)cc(N3CC[NH+](C4CC4)CC3)n2n1 ZINC000192540089 1199004197 /nfs/dbraw/zinc/00/41/97/1199004197.db2.gz GZFGINHPTYZHHJ-UHFFFAOYSA-N 2 0 368.489 0.693 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000768722543 1200214071 /nfs/dbraw/zinc/21/40/71/1200214071.db2.gz VOYOVUJXSLRBIU-UHFFFAOYSA-N 2 0 364.494 0.762 10 0 FCAERP 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C[C@@H]1[C@H](C(=O)N2CCc3sc(C[NH2+]CCCO)nc3C2)CC[N@@H+]1C ZINC001489335052 1208770573 /nfs/dbraw/zinc/77/05/73/1208770573.db2.gz HBLZRFPIMIYJTA-CHWSQXEVSA-N 2 0 352.504 0.840 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1O ZINC001489359874 1208819855 /nfs/dbraw/zinc/81/98/55/1208819855.db2.gz QUNXHUKJHUPJLO-IAGOWNOFSA-N 2 0 368.522 0.281 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001489543668 1208904241 /nfs/dbraw/zinc/90/42/41/1208904241.db2.gz LQSLZLZSWXBMGI-BZUAXINKSA-N 2 0 354.495 0.155 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)CC[N@@H+]1C ZINC001489606403 1208959556 /nfs/dbraw/zinc/95/95/56/1208959556.db2.gz CMZZDOVRSIJQHG-HZMVEIRTSA-N 2 0 368.522 0.137 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C[C@@H]1O ZINC001489591407 1209012114 /nfs/dbraw/zinc/01/21/14/1209012114.db2.gz IXKAAHNQLHQSJL-BBWFWOEESA-N 2 0 368.522 0.277 10 0 FCAERP 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C[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000852872079 1209570756 /nfs/dbraw/zinc/57/07/56/1209570756.db2.gz AUOHKOMTEFUQPU-JSGCOSHPSA-N 2 0 363.437 0.858 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852921430 1209578214 /nfs/dbraw/zinc/57/82/14/1209578214.db2.gz MOYZUCZRFRONRL-SJORKVTESA-N 2 0 361.538 0.940 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CCO1 ZINC000853625669 1209601682 /nfs/dbraw/zinc/60/16/82/1209601682.db2.gz XZAYYIKXDABCFD-OAHLLOKOSA-N 2 0 367.494 0.003 10 0 FCAERP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861647019 1209873177 /nfs/dbraw/zinc/87/31/77/1209873177.db2.gz YQZIRZMFKPCYEN-IMJJTQAJSA-N 2 0 365.478 0.485 10 0 FCAERP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000861749649 1209879564 /nfs/dbraw/zinc/87/95/64/1209879564.db2.gz GCENUXRERWOWRN-HZPDHXFCSA-N 2 0 364.490 0.147 10 0 FCAERP 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CO[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[C@H]1C ZINC000867535624 1210011242 /nfs/dbraw/zinc/01/12/42/1210011242.db2.gz KTVBMHRZIJOAMJ-QBPKDAKJSA-N 2 0 368.522 0.068 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC4(CC3)CC[NH+](C)CC4)CC[C@@H]21 ZINC000867798201 1210029561 /nfs/dbraw/zinc/02/95/61/1210029561.db2.gz BZKXXDMTOXNRHZ-SJORKVTESA-N 2 0 362.518 0.873 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC4(CC3)CC[NH+](C)CC4)CC[C@@H]21 ZINC000867798200 1210029940 /nfs/dbraw/zinc/02/99/40/1210029940.db2.gz BZKXXDMTOXNRHZ-IRXDYDNUSA-N 2 0 362.518 0.873 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2cc(N)ccc2F)C[C@H]1C[NH+](C)C ZINC000868263701 1210048279 /nfs/dbraw/zinc/04/82/79/1210048279.db2.gz SPWFVJLFOAINSK-CHWSQXEVSA-N 2 0 365.453 0.544 10 0 FCAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868385128 1210058067 /nfs/dbraw/zinc/05/80/67/1210058067.db2.gz KPWOGJORZCEUDS-ZACQAIPSSA-N 3 0 369.554 0.016 10 0 FCAERP 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[NH3+][C@@H](CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000870996384 1210125051 /nfs/dbraw/zinc/12/50/51/1210125051.db2.gz AGEBGNUGMAWISD-NXOAAHMSSA-N 2 0 358.442 0.860 10 0 FCAERP CN(CCCCCC[NH3+])C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000872189601 1210175753 /nfs/dbraw/zinc/17/57/53/1210175753.db2.gz MHQINPICWYEEFT-QGZVFWFLSA-N 2 0 368.522 0.535 10 0 FCAERP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872190587 1210175879 /nfs/dbraw/zinc/17/58/79/1210175879.db2.gz RIENMVGWTKDARY-FXAWDEMLSA-N 2 0 358.486 0.775 10 0 FCAERP CC(C)(O)C[C@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000872201256 1210178504 /nfs/dbraw/zinc/17/85/04/1210178504.db2.gz YYZFXBBBSRCPNL-MSOLQXFVSA-N 2 0 363.502 0.995 10 0 FCAERP CC(C)(O)C[C@@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000872201259 1210179328 /nfs/dbraw/zinc/17/93/28/1210179328.db2.gz YYZFXBBBSRCPNL-ZWKOTPCHSA-N 2 0 363.502 0.995 10 0 FCAERP C[NH2+]CCc1ccccc1C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872256902 1210184070 /nfs/dbraw/zinc/18/40/70/1210184070.db2.gz FIPJEBANWIDTEC-MSOLQXFVSA-N 2 0 372.469 0.846 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CC2)C[C@H]1C[NH+](C)C ZINC000875535499 1210378185 /nfs/dbraw/zinc/37/81/85/1210378185.db2.gz OYZBJIOLBYQWHS-IAGOWNOFSA-N 2 0 367.538 0.232 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C[NH+](C)C ZINC000875931414 1210397322 /nfs/dbraw/zinc/39/73/22/1210397322.db2.gz VKAIKGYCVCKBJP-BFYDXBDKSA-N 2 0 365.522 0.521 10 0 FCAERP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001274925903 1211145580 /nfs/dbraw/zinc/14/55/80/1211145580.db2.gz OZHIYMYHDXFIAC-OLMNPRSZSA-N 2 0 356.474 0.755 10 0 FCAERP CC[NH+]1CCN(c2ccc(CN3C(=O)N[C@H](C[NH+](C)C)C3=O)cn2)CC1 ZINC000924468150 1211470558 /nfs/dbraw/zinc/47/05/58/1211470558.db2.gz UHAZMRUMTBQPIW-OAHLLOKOSA-N 2 0 360.462 0.206 10 0 FCAERP CC1(C)[C@@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925561259 1211502321 /nfs/dbraw/zinc/50/23/21/1211502321.db2.gz ZDAKDGKTZJDVNE-NJAFHUGGSA-N 2 0 372.517 0.882 10 0 FCAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(-n2cnnn2)cc1 ZINC000925850503 1211508674 /nfs/dbraw/zinc/50/86/74/1211508674.db2.gz BLOXCUCISAIAHP-XJKSGUPXSA-N 2 0 356.430 0.998 10 0 FCAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(-n2cnnn2)c1 ZINC000925854093 1211508959 /nfs/dbraw/zinc/50/89/59/1211508959.db2.gz KJFVWDPKMJXIBO-CJNGLKHVSA-N 2 0 356.430 0.998 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C1N=NC(=O)N1C ZINC000926140837 1211517476 /nfs/dbraw/zinc/51/74/76/1211517476.db2.gz JPIGWFGSRSHRSG-KBPBESRZSA-N 2 0 367.498 0.639 10 0 FCAERP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926287318 1211526644 /nfs/dbraw/zinc/52/66/44/1211526644.db2.gz IGXGGJQXUIYOTM-IBGZPJMESA-N 2 0 357.458 0.475 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000926352139 1211538048 /nfs/dbraw/zinc/53/80/48/1211538048.db2.gz NAFQRORABZJBPJ-CVEARBPZSA-N 2 0 366.506 0.143 10 0 FCAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000926351864 1211538314 /nfs/dbraw/zinc/53/83/14/1211538314.db2.gz KTONHFVFJHKMOY-YLJYHZDGSA-N 2 0 362.518 0.921 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CCO1 ZINC000926388462 1211544198 /nfs/dbraw/zinc/54/41/98/1211544198.db2.gz RJBZIFBAYGWWAD-APWZRJJASA-N 2 0 366.506 0.300 10 0 FCAERP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000926398495 1211545604 /nfs/dbraw/zinc/54/56/04/1211545604.db2.gz NOFSGLWYLFPDHN-MRXNPFEDSA-N 2 0 366.506 0.143 10 0 FCAERP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926400078 1211545963 /nfs/dbraw/zinc/54/59/63/1211545963.db2.gz XMNWGKMBNQSPIG-OXJNMPFZSA-N 2 0 371.485 0.863 10 0 FCAERP C[N@@H+]1CC[C@H]([NH2+]CC(=O)NCC(=O)NCc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000926964738 1211560860 /nfs/dbraw/zinc/56/08/60/1211560860.db2.gz NEKWCZFEVKHPAY-OKZBNKHCSA-N 2 0 358.486 0.881 10 0 FCAERP C[NH+](C)C[C@H]1NC(=O)N(c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1=O ZINC000927267795 1211569144 /nfs/dbraw/zinc/56/91/44/1211569144.db2.gz SQBNFMRAFUENKR-IAGOWNOFSA-N 2 0 357.458 0.957 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@]4(C3)CCCC[NH2+]4)cn2)CC1 ZINC000927931944 1211593498 /nfs/dbraw/zinc/59/34/98/1211593498.db2.gz HTQHGKCNPNZOQE-IBGZPJMESA-N 2 0 374.489 0.833 10 0 FCAERP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)C(C)C ZINC000929144436 1211619076 /nfs/dbraw/zinc/61/90/76/1211619076.db2.gz FIRNPSSVDCEPLX-KRWDZBQOSA-N 2 0 368.522 0.591 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000929169752 1211620843 /nfs/dbraw/zinc/62/08/43/1211620843.db2.gz ZEQZEABRRXRZDX-IAGOWNOFSA-N 2 0 366.506 0.033 10 0 FCAERP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000929197447 1211622419 /nfs/dbraw/zinc/62/24/19/1211622419.db2.gz FJUOABQONTWIRF-KRWDZBQOSA-N 2 0 361.490 0.791 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000929230607 1211624337 /nfs/dbraw/zinc/62/43/37/1211624337.db2.gz ZPBMKCODRFSUFY-MRXNPFEDSA-N 2 0 366.506 0.156 10 0 FCAERP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000929398927 1211635365 /nfs/dbraw/zinc/63/53/65/1211635365.db2.gz BZQHRZOLSBQKBG-NVXWUHKLSA-N 2 0 366.506 0.204 10 0 FCAERP COCC[N@H+](C)CCNC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000929894438 1211670421 /nfs/dbraw/zinc/67/04/21/1211670421.db2.gz JQUBXSITVNPLFZ-UHFFFAOYSA-N 2 0 368.522 0.594 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000929955226 1211676019 /nfs/dbraw/zinc/67/60/19/1211676019.db2.gz NXRGSRREDDRTOE-BRWVUGGUSA-N 2 0 366.506 0.035 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C[N@@H+]1C1CC1 ZINC000930478663 1211708791 /nfs/dbraw/zinc/70/87/91/1211708791.db2.gz GNJJNQBTALPIDU-QGPMSJSTSA-N 2 0 373.501 0.932 10 0 FCAERP C[C@H](CNC(=O)CN1CC[C@H](n2cccn2)C1)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000930532610 1211712914 /nfs/dbraw/zinc/71/29/14/1211712914.db2.gz UDWNPIGWFKTBNZ-FGTMMUONSA-N 2 0 371.489 0.778 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000930932547 1211729048 /nfs/dbraw/zinc/72/90/48/1211729048.db2.gz IVWVDHXJJQEEHL-IAGOWNOFSA-N 2 0 368.522 0.138 10 0 FCAERP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000931023409 1211735569 /nfs/dbraw/zinc/73/55/69/1211735569.db2.gz WRFLAMLNHGKCNS-INIZCTEOSA-N 2 0 368.522 0.402 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)C[NH+](C)C ZINC000931061624 1211737743 /nfs/dbraw/zinc/73/77/43/1211737743.db2.gz JKLQJLKZPYKBNZ-IRXDYDNUSA-N 2 0 368.522 0.593 10 0 FCAERP 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C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000903772625 1218521657 /nfs/dbraw/zinc/52/16/57/1218521657.db2.gz SHYYWFFTBKJPKR-MSOLQXFVSA-N 2 0 372.513 0.958 10 0 FCAERP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000804054313 1219109751 /nfs/dbraw/zinc/10/97/51/1219109751.db2.gz REFXYJBJQKKZSL-MYBQVCMBSA-N 2 0 364.490 0.099 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001491018458 1220070942 /nfs/dbraw/zinc/07/09/42/1220070942.db2.gz MDFQJLYKSSTKSV-WISYIIOYSA-N 2 0 350.385 0.242 10 0 FCAERP C[C@@H]1C[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001117175883 1221489266 /nfs/dbraw/zinc/48/92/66/1221489266.db2.gz ZIAXFGHBETVMCD-HZPDHXFCSA-N 2 0 359.474 0.482 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001118089904 1221708144 /nfs/dbraw/zinc/70/81/44/1221708144.db2.gz BVIZZCCMUKLIEN-RBUKOAKNSA-N 2 0 360.502 0.233 10 0 FCAERP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC001118552662 1221799801 /nfs/dbraw/zinc/79/98/01/1221799801.db2.gz XAGJZXLAKIZJPU-CVEARBPZSA-N 2 0 366.506 0.237 10 0 FCAERP Cc1cc(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001118918160 1221844379 /nfs/dbraw/zinc/84/43/79/1221844379.db2.gz UFWPDZHXBDXTKI-RDJZCZTQSA-N 2 0 373.501 0.942 10 0 FCAERP CCN1CCC([NH+]2CCC(C(=O)N3CC[C@@](O)(C[NH+](C)C)C3)CC2)CC1 ZINC001123951959 1222368796 /nfs/dbraw/zinc/36/87/96/1222368796.db2.gz BMTCQLABDAEXOS-HXUWFJFHSA-N 2 0 366.550 0.708 10 0 FCAERP C/C(=C/C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@@H]12 ZINC001124003636 1222375267 /nfs/dbraw/zinc/37/52/67/1222375267.db2.gz RAFOBQGDHFCKNP-DIJWGGFWSA-N 2 0 374.529 0.846 10 0 FCAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000828284806 1222399721 /nfs/dbraw/zinc/39/97/21/1222399721.db2.gz SARHBVJFRDKELY-USXIJHARSA-N 2 0 366.506 0.033 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000841215817 1222814207 /nfs/dbraw/zinc/81/42/07/1222814207.db2.gz BQMSFVHFBDNCLV-YJBOKZPZSA-N 2 0 373.501 0.881 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000841847334 1222830402 /nfs/dbraw/zinc/83/04/02/1222830402.db2.gz UJPGQPWAQZZOIC-TZMCWYRMSA-N 2 0 363.414 0.814 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000843266670 1222868740 /nfs/dbraw/zinc/86/87/40/1222868740.db2.gz ZTXGHBKXGIUKGM-KRWDZBQOSA-N 2 0 367.538 0.250 10 0 FCAERP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849557194 1245400253 /nfs/dbraw/zinc/40/02/53/1245400253.db2.gz GNEHOICTHQVTSS-KZNAEPCWSA-N 2 0 365.522 0.928 10 0 FCAERP CC[N@H+](CCO)CCNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849578248 1245403353 /nfs/dbraw/zinc/40/33/53/1245403353.db2.gz LCGZBGXJMNKAAP-MSOLQXFVSA-N 2 0 365.522 0.664 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NCc1cc(F)cc(F)c1)C2 ZINC000903491985 1245477495 /nfs/dbraw/zinc/47/74/95/1245477495.db2.gz HQMJHRJCMFJBIO-PNPHSEOMSA-N 2 0 367.396 0.793 10 0 FCAERP O=c1[nH]c(CN2CC[NH2+]CC[NH2+]CC2)nc2c1cnn2-c1ccccc1 ZINC000923459208 1245720817 /nfs/dbraw/zinc/72/08/17/1245720817.db2.gz DSEDXTWXWUHJNE-UHFFFAOYSA-N 2 0 353.430 0.516 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1)C[NH+](C)C ZINC000929223394 1245740720 /nfs/dbraw/zinc/74/07/20/1245740720.db2.gz VNNMKUKLXXXMAO-INIZCTEOSA-N 2 0 370.538 0.840 10 0 FCAERP CN1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC001329551602 1265780199 /nfs/dbraw/zinc/78/01/99/1265780199.db2.gz JIMUHDCWKGKDMZ-ZWKOTPCHSA-N 2 0 373.501 0.584 10 0 FCAERP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001329704267 1265817313 /nfs/dbraw/zinc/81/73/13/1265817313.db2.gz UZHUTMVXKDZSAH-SJORKVTESA-N 2 0 356.426 0.687 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001520035996 1265832133 /nfs/dbraw/zinc/83/21/33/1265832133.db2.gz GMUPQCZLUROLQD-IRXDYDNUSA-N 3 0 356.559 0.194 10 0 FCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001330024504 1265927988 /nfs/dbraw/zinc/92/79/88/1265927988.db2.gz QZSFWBYSFYQTIJ-NVXWUHKLSA-N 2 0 368.522 0.450 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NC(=O)C[NH+](C)C3CCC3)[C@H]2C)C1 ZINC001520804812 1266005088 /nfs/dbraw/zinc/00/50/88/1266005088.db2.gz UAMYMQWIANNNKY-INMHGKMJSA-N 2 0 350.507 0.918 10 0 FCAERP [NH3+]CC1(NC(=O)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CCOCC1 ZINC001331721558 1266272972 /nfs/dbraw/zinc/27/29/72/1266272972.db2.gz LWYYSFSOCDDRGN-UHFFFAOYSA-N 2 0 360.458 0.845 10 0 FCAERP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC001335378331 1259633410 /nfs/dbraw/zinc/63/34/10/1259633410.db2.gz DZHDOAFMNKJHSK-SJORKVTESA-N 2 0 366.506 0.014 10 0 FCAERP C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H]1F ZINC001335599623 1259735831 /nfs/dbraw/zinc/73/58/31/1259735831.db2.gz YEPHODDUJPKGQZ-ZJIFWQFVSA-N 2 0 356.486 0.391 10 0 FCAERP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC001335713264 1259799990 /nfs/dbraw/zinc/79/99/90/1259799990.db2.gz VKHYYUSVUSKOAO-QGZVFWFLSA-N 2 0 366.506 0.204 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001335841655 1259865072 /nfs/dbraw/zinc/86/50/72/1259865072.db2.gz DVYFUMBMOJPOSX-QGZVFWFLSA-N 2 0 372.469 0.942 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2nc(-c3cnccn3)no2)C[C@H]1C[NH+](C)C ZINC001331904889 1266301996 /nfs/dbraw/zinc/30/19/96/1266301996.db2.gz FZPNQAALXMGCPO-CHWSQXEVSA-N 2 0 359.434 0.338 10 0 FCAERP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)N1CCC1 ZINC001265827575 1260419245 /nfs/dbraw/zinc/41/92/45/1260419245.db2.gz RVTBSNWGTILACB-NXHRZFHOSA-N 2 0 358.486 0.658 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CN(C)CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001278854322 1260743305 /nfs/dbraw/zinc/74/33/05/1260743305.db2.gz AODXMPLBFYXTSM-OWCLPIDISA-N 2 0 370.538 0.383 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CCCC[NH+](C)C)C[C@H]32)CC[N@@H+]1C ZINC001280698181 1261071145 /nfs/dbraw/zinc/07/11/45/1261071145.db2.gz PWEMSSXOILKMAF-ZKXLYKBJSA-N 2 0 364.534 0.879 10 0 FCAERP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1O ZINC001281698016 1261159104 /nfs/dbraw/zinc/15/91/04/1261159104.db2.gz CHLUDCKRNQGGAH-HZPDHXFCSA-N 2 0 370.538 0.384 10 0 FCAERP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001281862982 1261241353 /nfs/dbraw/zinc/24/13/53/1261241353.db2.gz UXBRSTQWVPDVCX-QLFBSQMISA-N 2 0 367.494 0.143 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)Cn2ccnc2C)CCN1C(=O)COCC[NH+](C)C ZINC001282256495 1261391877 /nfs/dbraw/zinc/39/18/77/1261391877.db2.gz GLSYJXUOSYKIFE-JKSUJKDBSA-N 2 0 365.478 0.265 10 0 FCAERP CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)CC1 ZINC001282304266 1261409488 /nfs/dbraw/zinc/40/94/88/1261409488.db2.gz GPRIMBBTUSIDRV-MSOLQXFVSA-N 2 0 364.534 0.977 10 0 FCAERP Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)ccc1N1CC[NH+](C)CC1 ZINC001332461612 1266410253 /nfs/dbraw/zinc/41/02/53/1266410253.db2.gz FBJVDRPNQWLOHJ-QGZVFWFLSA-N 2 0 373.501 0.881 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC(OCCC[NH2+][C@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC001282582262 1261540131 /nfs/dbraw/zinc/54/01/31/1261540131.db2.gz TXQFXGCSVGSMOI-HYVNUMGLSA-N 2 0 368.522 0.578 10 0 FCAERP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001282651785 1261569289 /nfs/dbraw/zinc/56/92/89/1261569289.db2.gz HNTYMRWPWOVAGF-QZWWFDLISA-N 2 0 366.506 0.297 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)CC[N@@H+]1C ZINC001282676085 1261580348 /nfs/dbraw/zinc/58/03/48/1261580348.db2.gz BIZIXFTYPYVRQO-MTSZKFMLSA-N 2 0 362.518 0.917 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCCC(C)(C)C)CC[N@@H+]1C ZINC001332515106 1266420656 /nfs/dbraw/zinc/42/06/56/1266420656.db2.gz ARGBLWJITBZNGR-BZUAXINKSA-N 2 0 370.538 0.288 10 0 FCAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001522215357 1266422286 /nfs/dbraw/zinc/42/22/86/1266422286.db2.gz WIKULEYDNJGKAB-YVSFHVDLSA-N 2 0 350.507 0.918 10 0 FCAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)CC[N@@H+]1C ZINC001345116340 1261637282 /nfs/dbraw/zinc/63/72/82/1261637282.db2.gz SAHYPFDGFGMEJQ-FJIDUMEYSA-N 2 0 364.534 0.975 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2ccc(C(N)=O)cc2)CC[N@@H+]1C ZINC001284417411 1261754777 /nfs/dbraw/zinc/75/47/77/1261754777.db2.gz OLBVEPPENKCLKH-KBRIMQKVSA-N 2 0 362.474 0.035 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCC2=CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC001288714538 1262030857 /nfs/dbraw/zinc/03/08/57/1262030857.db2.gz XXEXMZJQCKXLAX-BPQIPLTHSA-N 2 0 362.518 0.943 10 0 FCAERP C[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001288993479 1262061812 /nfs/dbraw/zinc/06/18/12/1262061812.db2.gz RMTHCMJVGNRALL-GOEBONIOSA-N 2 0 362.474 0.966 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001289503256 1262227139 /nfs/dbraw/zinc/22/71/39/1262227139.db2.gz OWYNGJCJGKBTRJ-GVDBMIGSSA-N 2 0 368.522 0.545 10 0 FCAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001292176747 1262661820 /nfs/dbraw/zinc/66/18/20/1262661820.db2.gz BNLCNKASEPWWPG-XDNAFOTISA-N 2 0 362.518 0.918 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1C ZINC001298420277 1262925881 /nfs/dbraw/zinc/92/58/81/1262925881.db2.gz VWQHIEBWIRCOEQ-CGKZAZMGSA-N 2 0 362.518 0.847 10 0 FCAERP O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1)Nc1cnccn1 ZINC001479301935 1263183295 /nfs/dbraw/zinc/18/32/95/1263183295.db2.gz ZQWOWBWXSWEHSN-XJFOESAGSA-N 2 0 369.429 0.426 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001479453172 1263204103 /nfs/dbraw/zinc/20/41/03/1263204103.db2.gz UAUZOTSPGVFWQC-XLNGHYISSA-N 2 0 350.507 0.727 10 0 FCAERP CC(C)NC(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001479494370 1263221699 /nfs/dbraw/zinc/22/16/99/1263221699.db2.gz GIDFHINJMZJQPT-JKSUJKDBSA-N 2 0 353.511 0.664 10 0 FCAERP CNC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001479580130 1263263605 /nfs/dbraw/zinc/26/36/05/1263263605.db2.gz OANNZQJXUXSBLT-PMPSAXMXSA-N 2 0 368.522 0.448 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCN1CCNC1=O ZINC001479642030 1263290750 /nfs/dbraw/zinc/29/07/50/1263290750.db2.gz XXDWUHKYYCWJRW-JKSUJKDBSA-N 2 0 367.538 0.959 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001479674808 1263341734 /nfs/dbraw/zinc/34/17/34/1263341734.db2.gz RWURAEVDDIXDRN-IKGGRYGDSA-N 2 0 350.507 0.728 10 0 FCAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001316666330 1263409003 /nfs/dbraw/zinc/40/90/03/1263409003.db2.gz DABKBVRAQJDQCA-ZNMIVQPWSA-N 2 0 367.494 0.191 10 0 FCAERP COCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001316671301 1263415027 /nfs/dbraw/zinc/41/50/27/1263415027.db2.gz YPOSKPHTYMLQIK-FGTMMUONSA-N 2 0 363.506 0.825 10 0 FCAERP CCO[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@@H](C)C(=O)NC ZINC001316693240 1263424723 /nfs/dbraw/zinc/42/47/23/1263424723.db2.gz PUCMXHRPOGGZER-USXIJHARSA-N 2 0 368.522 0.306 10 0 FCAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001480461717 1263429445 /nfs/dbraw/zinc/42/94/45/1263429445.db2.gz BFWPYEVLXAESEL-XJKCOSOUSA-N 2 0 350.507 0.726 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)CC(F)(F)F)CC[N@@H+]1C ZINC001480464146 1263429700 /nfs/dbraw/zinc/42/97/00/1263429700.db2.gz OLKBWXFXYMWWQU-RWMBFGLXSA-N 2 0 366.428 0.832 10 0 FCAERP 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C[NH+](C)CCc1cccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC001628859983 1290558774 /nfs/dbraw/zinc/55/87/74/1290558774.db2.gz IALTYVIHUAARGN-FQEVSTJZSA-N 2 0 374.529 0.927 10 0 FCAERP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)CCn1cnnc1 ZINC001648213595 1291111186 /nfs/dbraw/zinc/11/11/86/1291111186.db2.gz BUJIEYWMCIGEIW-WMZOPIPTSA-N 2 0 356.474 0.989 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C[NH2+]CC(=O)NC ZINC001656478003 1291530100 /nfs/dbraw/zinc/53/01/00/1291530100.db2.gz KMBGAGRJHSIUOP-IXDOHACOSA-N 2 0 368.522 0.306 10 0 FCAERP COCCN(C)C[C@H](O)C[N@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001656553274 1291545803 /nfs/dbraw/zinc/54/58/03/1291545803.db2.gz IOSSFOPIXVUDRW-CAOSSQGBSA-N 2 0 357.495 0.723 10 0 FCAERP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001656809848 1291564113 /nfs/dbraw/zinc/56/41/13/1291564113.db2.gz BPHPPRQZJDBZSE-CEXWTWQISA-N 2 0 365.518 0.772 10 0 FCAERP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001656840100 1291566403 /nfs/dbraw/zinc/56/64/03/1291566403.db2.gz SCXHAIYPYWPONC-SJORKVTESA-N 2 0 362.518 0.729 10 0 FCAERP Cc1n[nH]c(C)c1NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668065232 1291954423 /nfs/dbraw/zinc/95/44/23/1291954423.db2.gz HOBCCXIKBZRBMI-KCPJHIHWSA-N 2 0 364.494 0.790 10 0 FCAERP CNC(=O)NC(=O)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001675123971 1292167321 /nfs/dbraw/zinc/16/73/21/1292167321.db2.gz DRUMRAALROHBRD-RBSFLKMASA-N 2 0 369.510 0.245 10 0 FCAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1 ZINC001686064037 1292753563 /nfs/dbraw/zinc/75/35/63/1292753563.db2.gz BLOLGWDQWWUUGO-IKGGRYGDSA-N 2 0 350.507 0.918 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001277060935 861748128 /nfs/dbraw/zinc/74/81/28/861748128.db2.gz VLAIDFLCTLJNCL-SOUVJXGZSA-N 2 0 357.520 0.390 10 0 FCAERP C[C@H](NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1)[C@H]1C[N@H+](C)CCN1C ZINC001123693451 848624973 /nfs/dbraw/zinc/62/49/73/848624973.db2.gz AICRLZUJUGTYJC-IECFSIQFSA-N 2 0 351.539 0.992 10 0 FCAERP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001278868870 862545635 /nfs/dbraw/zinc/54/56/35/862545635.db2.gz JUVZBSBGPWTAGJ-BBWFWOEESA-N 2 0 357.495 0.026 10 0 FCAERP CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)s1 ZINC001261437572 858547720 /nfs/dbraw/zinc/54/77/20/858547720.db2.gz FXCANBOEKPCOPP-CYBMUJFWSA-N 2 0 361.533 0.240 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CCO1 ZINC001261645773 858618734 /nfs/dbraw/zinc/61/87/34/858618734.db2.gz NTQJDBWOPMATIN-HNNXBMFYSA-N 2 0 350.467 0.385 10 0 FCAERP CC(C)NC(=O)NCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001264142129 859324311 /nfs/dbraw/zinc/32/43/11/859324311.db2.gz OMNOYBGHVTXDME-FPCVCCKLSA-N 2 0 353.511 0.613 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001264461739 859357469 /nfs/dbraw/zinc/35/74/69/859357469.db2.gz DIGDSWWHDXHYAG-YALNPMBYSA-N 2 0 350.507 0.727 10 0 FCAERP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001264466394 859360103 /nfs/dbraw/zinc/36/01/03/859360103.db2.gz YDUXGKGYUGPXIO-GUTXKFCHSA-N 2 0 350.463 0.150 10 0 FCAERP O=C(Cc1c[nH]cn1)NC[C@H]1CC[C@@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001264480380 859363032 /nfs/dbraw/zinc/36/30/32/859363032.db2.gz UZIXWPJXNXSAMT-QLFBSQMISA-N 2 0 368.503 0.652 10 0 FCAERP C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C[NH2+]CCOCCO)C1 ZINC001264560149 859385464 /nfs/dbraw/zinc/38/54/64/859385464.db2.gz HAZHDJSQVTUFOT-AEFFLSMTSA-N 2 0 355.523 0.944 10 0 FCAERP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001264556975 859385678 /nfs/dbraw/zinc/38/56/78/859385678.db2.gz RGZJWFXQXZFUKV-IXDOHACOSA-N 2 0 350.507 0.920 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001264567730 859387999 /nfs/dbraw/zinc/38/79/99/859387999.db2.gz GWQVLWITDGZHET-CABCVRRESA-N 2 0 362.540 0.093 10 0 FCAERP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001264567198 859387840 /nfs/dbraw/zinc/38/78/40/859387840.db2.gz XQLGIOAVIOAZPX-CVEARBPZSA-N 2 0 351.495 0.324 10 0 FCAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCC[NH2+]CC(=O)NC(N)=O ZINC001264576284 859389117 /nfs/dbraw/zinc/38/91/17/859389117.db2.gz JXSKCXWXXDJNDX-ZIAGYGMSSA-N 2 0 355.483 0.130 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CCOCCO ZINC001264611263 859397881 /nfs/dbraw/zinc/39/78/81/859397881.db2.gz ADDFCHDCBMADLH-DLBZAZTESA-N 2 0 353.507 0.840 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001267581621 859510041 /nfs/dbraw/zinc/51/00/41/859510041.db2.gz BTEBKVCIBJJIKD-OWCLPIDISA-N 2 0 351.495 0.132 10 0 FCAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC1CCOCC1 ZINC001269408985 859547340 /nfs/dbraw/zinc/54/73/40/859547340.db2.gz WQFKNULCTFZWKB-IJEWVQPXSA-N 2 0 354.495 0.106 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCOCC3CCC3)C2)CC[N@@H+]1C ZINC001271146767 859905803 /nfs/dbraw/zinc/90/58/03/859905803.db2.gz XPHKTGWXRISRGH-SUMDDJOVSA-N 2 0 353.507 0.696 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)C[C@H](O)COCC(F)(F)F)CC[N@@H+]1C ZINC001272020101 860065753 /nfs/dbraw/zinc/06/57/53/860065753.db2.gz GZUHNDOTOQWIGC-HZSPNIEDSA-N 2 0 369.428 0.657 10 0 FCAERP Cc1nc(CC[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001272167910 860104674 /nfs/dbraw/zinc/10/46/74/860104674.db2.gz DFBXTEWSALTVHE-CZUORRHYSA-N 2 0 354.520 0.745 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001272439001 860155943 /nfs/dbraw/zinc/15/59/43/860155943.db2.gz FUGAUPJMYBYXFN-BRWVUGGUSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001272961305 860316990 /nfs/dbraw/zinc/31/69/90/860316990.db2.gz ZNOFHNLXPJUIJF-BRWVUGGUSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001274038193 860664697 /nfs/dbraw/zinc/66/46/97/860664697.db2.gz VWPLWFCYFDGZIB-FSPKCKTGSA-N 2 0 357.520 0.413 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001274038198 860664722 /nfs/dbraw/zinc/66/47/22/860664722.db2.gz VWPLWFCYFDGZIB-ZESBSSJPSA-N 2 0 357.520 0.413 10 0 FCAERP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001281607229 863535283 /nfs/dbraw/zinc/53/52/83/863535283.db2.gz YEEXEJJGLZMAPB-ARFHVFGLSA-N 2 0 350.507 0.870 10 0 FCAERP CCN1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)C1 ZINC001281763411 863720470 /nfs/dbraw/zinc/72/04/70/863720470.db2.gz GBAWOSAJWCMPNZ-BZUAXINKSA-N 2 0 354.495 0.012 10 0 FCAERP CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1CC)[NH+](C)C ZINC001282267823 864154556 /nfs/dbraw/zinc/15/45/56/864154556.db2.gz HTKLDPKNDCLLHQ-XHSDSOJGSA-N 2 0 350.507 0.918 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001282301213 864178123 /nfs/dbraw/zinc/17/81/23/864178123.db2.gz QLTJIPFCBJXAAE-IXDOHACOSA-N 2 0 350.507 0.728 10 0 FCAERP CC(C)[NH+](C)CC(=O)N1CC2CN(C(=O)C[N@@H+](C)C(C)C)CC2(C)C1 ZINC001282442222 864262221 /nfs/dbraw/zinc/26/22/21/864262221.db2.gz JMQNFYYBWXOUTO-UHFFFAOYSA-N 2 0 352.523 0.974 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001282446640 864264874 /nfs/dbraw/zinc/26/48/74/864264874.db2.gz QVTBHTGVQADBCQ-MDZRGWNJSA-N 2 0 350.507 0.728 10 0 FCAERP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C[NH+](C)C)CC1)[NH+](C)C ZINC001282651984 864386981 /nfs/dbraw/zinc/38/69/81/864386981.db2.gz TXHKVGAPAKDVHA-QXSJWSMHSA-N 2 0 350.507 0.917 10 0 FCAERP CC[NH+](CC)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001288555398 864792378 /nfs/dbraw/zinc/79/23/78/864792378.db2.gz LDSLZGWECLWQSL-HZPDHXFCSA-N 2 0 350.507 0.729 10 0 FCAERP C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001288980491 864835020 /nfs/dbraw/zinc/83/50/20/864835020.db2.gz YOLYYHFCQFSRLA-DLBZAZTESA-N 2 0 350.507 0.873 10 0 FCAERP CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]32)CC1 ZINC001288988467 864839754 /nfs/dbraw/zinc/83/97/54/864839754.db2.gz FGGJBPGVMDLXSL-DLBZAZTESA-N 2 0 350.507 0.729 10 0 FCAERP C/C(=C/C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001350000938 866487165 /nfs/dbraw/zinc/48/71/65/866487165.db2.gz GXDXTPBANJHGLG-ZQNWWQDDSA-N 2 0 350.507 0.846 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CCCNC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001351741518 866955785 /nfs/dbraw/zinc/95/57/85/866955785.db2.gz TZGSREZVALPJFP-JKSUJKDBSA-N 2 0 350.507 0.777 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC001351834239 866980585 /nfs/dbraw/zinc/98/05/85/866980585.db2.gz DEZQLVMQEITIJR-CYBMUJFWSA-N 2 0 366.428 0.739 10 0 FCAERP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC001351909614 866993949 /nfs/dbraw/zinc/99/39/49/866993949.db2.gz VGGXYABXWGVDLD-INIZCTEOSA-N 2 0 350.507 0.731 10 0 FCAERP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC001351909615 866994258 /nfs/dbraw/zinc/99/42/58/866994258.db2.gz VGGXYABXWGVDLD-MRXNPFEDSA-N 2 0 350.507 0.731 10 0 FCAERP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1)[NH+](CC)CC ZINC001316756208 867455355 /nfs/dbraw/zinc/45/53/55/867455355.db2.gz CDEXPVZGYRTTHB-IXDOHACOSA-N 2 0 352.523 0.975 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2CC2)CC[N@@H+]1C ZINC001317014709 867515690 /nfs/dbraw/zinc/51/56/90/867515690.db2.gz VFVRGIRFCNJDBA-RAIGVLPGSA-N 2 0 364.412 0.490 10 0 FCAERP CC(C)CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001317132891 867521971 /nfs/dbraw/zinc/52/19/71/867521971.db2.gz ULMFZJPDORUDDU-IXDOHACOSA-N 2 0 352.523 0.927 10 0 FCAERP O=S1(=O)CCCN1C1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC001353944365 867523558 /nfs/dbraw/zinc/52/35/58/867523558.db2.gz UCNPDZMNGUBENB-HNNXBMFYSA-N 2 0 368.507 0.203 10 0 FCAERP CN1CCN(c2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4(=O)=O)cn2)CC1 ZINC001354179853 867559336 /nfs/dbraw/zinc/55/93/36/867559336.db2.gz CBIGLXYZVBFGQK-MQVJKMGUSA-N 2 0 365.503 0.426 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CC[NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001318802058 867754069 /nfs/dbraw/zinc/75/40/69/867754069.db2.gz ANLOBHUTSVOOCR-BZUAXINKSA-N 2 0 359.536 0.590 10 0 FCAERP CCOc1cccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001320231290 868115751 /nfs/dbraw/zinc/11/57/51/868115751.db2.gz LLJYOGPFYUQQBJ-VNQPRFMTSA-N 2 0 350.463 0.387 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(OC)n2)CC[N@@H+]1C ZINC001320233943 868117082 /nfs/dbraw/zinc/11/70/82/868117082.db2.gz SSKNLAWNLDALFJ-HRCADAONSA-N 2 0 350.463 0.387 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]C[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001321066655 868357386 /nfs/dbraw/zinc/35/73/86/868357386.db2.gz NBLGXXQKLDMJNL-IPUTUCIWSA-N 2 0 357.520 0.413 10 0 FCAERP CC(C)CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001326271830 870235552 /nfs/dbraw/zinc/23/55/52/870235552.db2.gz DVOCJYBFSINNPY-IXDOHACOSA-N 2 0 352.523 0.927 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCOCC(F)F)CCOCC2)CC[N@@H+]1C ZINC001327635092 870985001 /nfs/dbraw/zinc/98/50/01/870985001.db2.gz RBQVCOJAQOISFA-ZIAGYGMSSA-N 2 0 363.449 0.863 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001345881412 871546399 /nfs/dbraw/zinc/54/63/99/871546399.db2.gz FWWCTVMRXWSFTG-MDZRGWNJSA-N 2 0 352.523 0.975 10 0 FCAERP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001346242930 871724288 /nfs/dbraw/zinc/72/42/88/871724288.db2.gz OCIUGGFBJWCZFA-OWCLPIDISA-N 2 0 350.507 0.491 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001329938684 872375959 /nfs/dbraw/zinc/37/59/59/872375959.db2.gz WPVKMSHVVRPYNN-DLBZAZTESA-N 2 0 350.507 0.729 10 0 FCAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001330086564 872454942 /nfs/dbraw/zinc/45/49/42/872454942.db2.gz XOUBMUALSOLQAM-QXSJWSMHSA-N 2 0 350.463 0.644 10 0 FCAERP CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001347704977 872466498 /nfs/dbraw/zinc/46/64/98/872466498.db2.gz MWDSERKPBHJNHI-VQHPVUNQSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+](C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001347704072 872467488 /nfs/dbraw/zinc/46/74/88/872467488.db2.gz HBBAOXYCDGZZBM-HZMVEIRTSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001348003956 872559318 /nfs/dbraw/zinc/55/93/18/872559318.db2.gz QQORVSCTSAVUGQ-KXBFYZLASA-N 2 0 350.507 0.777 10 0 FCAERP C[C@H]1CN(C(=O)NCC2([NH3+])CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001348308289 872661852 /nfs/dbraw/zinc/66/18/52/872661852.db2.gz UPYIGQGYFCGZAT-HOTGVXAUSA-N 2 0 353.511 0.162 10 0 FCAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1 ZINC001348591076 872735382 /nfs/dbraw/zinc/73/53/82/872735382.db2.gz KXJNMHOFIQJZIK-XLMAVXFVSA-N 2 0 354.495 0.384 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CC2(F)F)C[C@H]1C[NH+](C)C ZINC001332076549 873362027 /nfs/dbraw/zinc/36/20/27/873362027.db2.gz ZGBMRRMKASTHMU-XJKCOSOUSA-N 2 0 360.449 0.346 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)Cc2cnn(C)c2)CC[N@@H+]1C ZINC001332634543 873591265 /nfs/dbraw/zinc/59/12/65/873591265.db2.gz YHYKNIQDDIZEIQ-YESZJQIVSA-N 2 0 351.495 0.402 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCc2ccns2)CC[N@@H+]1C ZINC001332634589 873591899 /nfs/dbraw/zinc/59/18/99/873591899.db2.gz ZMBUUMHCDQMOPF-IJEWVQPXSA-N 2 0 354.520 0.777 10 0 FCAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000930814333 674063407 /nfs/dbraw/zinc/06/34/07/674063407.db2.gz RDTRYEKIOZCUPK-PNKHAZJDSA-N 2 0 351.491 0.713 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000284983591 213260957 /nfs/dbraw/zinc/26/09/57/213260957.db2.gz ISVHCBCJESFQAT-QZTJIDSGSA-N 2 0 360.502 0.876 10 0 FCAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000367224174 216093836 /nfs/dbraw/zinc/09/38/36/216093836.db2.gz MKULDLMJLIABDE-QGZVFWFLSA-N 2 0 360.568 0.758 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000246459633 209388160 /nfs/dbraw/zinc/38/81/60/209388160.db2.gz DJIBHXWBVNILKE-SZVBFZGTSA-N 2 0 363.506 0.904 10 0 FCAERP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000194734864 209327951 /nfs/dbraw/zinc/32/79/51/209327951.db2.gz ISIRXWRLQYZJFD-MRXNPFEDSA-N 2 0 350.507 0.873 10 0 FCAERP [NH3+][C@@H]1CCC[C@H](NC(=O)C[C@]2(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC[NH2+]C2)C1 ZINC000368650945 216276662 /nfs/dbraw/zinc/27/66/62/216276662.db2.gz RKWJGEOIIYWFAH-XZLOLGPPSA-N 3 0 365.522 0.128 10 0 FCAERP COC(=O)[C@@H]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000191295524 209285101 /nfs/dbraw/zinc/28/51/01/209285101.db2.gz MPEOXIDDAKGHMT-GDBMZVCRSA-N 2 0 354.495 0.853 10 0 FCAERP COC(=O)[C@H]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000191295512 209284935 /nfs/dbraw/zinc/28/49/35/209284935.db2.gz MPEOXIDDAKGHMT-HOCLYGCPSA-N 2 0 354.495 0.853 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369202996 216362818 /nfs/dbraw/zinc/36/28/18/216362818.db2.gz FOPSQXXCHKFKMB-ZACQAIPSSA-N 2 0 354.495 0.338 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000931396980 674111887 /nfs/dbraw/zinc/11/18/87/674111887.db2.gz LLNXQZGAGREWRN-NVXWUHKLSA-N 2 0 374.551 0.333 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCOCC3(CCC3)C2)C1 ZINC000373380678 217013493 /nfs/dbraw/zinc/01/34/93/217013493.db2.gz ZZQQFJFMMMMJDU-QGZVFWFLSA-N 2 0 353.507 0.962 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@]3(C2)CCCOC3)C1 ZINC000375293194 217245339 /nfs/dbraw/zinc/24/53/39/217245339.db2.gz QURPAVLONXVPPD-MJGOQNOKSA-N 2 0 353.507 0.962 10 0 FCAERP C[N@@H+]1CCN(CCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)CC1(C)C ZINC000419179677 246037660 /nfs/dbraw/zinc/03/76/60/246037660.db2.gz IYHZWMVAONYOJY-UHFFFAOYSA-N 2 0 367.538 0.297 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419204383 246051415 /nfs/dbraw/zinc/05/14/15/246051415.db2.gz HVHKRRDNNTXMMQ-KBAYOESNSA-N 2 0 358.486 0.881 10 0 FCAERP CC1=CC[N@H+](CCNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000419229968 246069255 /nfs/dbraw/zinc/06/92/55/246069255.db2.gz XZPHUNSPPUQWBO-ZWKOTPCHSA-N 2 0 374.460 0.847 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C[N@@H+]1C1CC1 ZINC000419317203 246098652 /nfs/dbraw/zinc/09/86/52/246098652.db2.gz MNDWJKRACFYWTL-ZMSRAETNSA-N 2 0 374.529 0.998 10 0 FCAERP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000419379078 246125263 /nfs/dbraw/zinc/12/52/63/246125263.db2.gz WILVUULVFCRHAF-BRWVUGGUSA-N 2 0 352.523 0.973 10 0 FCAERP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000419499941 246183324 /nfs/dbraw/zinc/18/33/24/246183324.db2.gz YWMORDISKLDIIH-HOTGVXAUSA-N 2 0 355.527 0.109 10 0 FCAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419509809 246185001 /nfs/dbraw/zinc/18/50/01/246185001.db2.gz UVLMSRTYYRMXDB-ZWKOTPCHSA-N 2 0 358.486 0.883 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419523132 246190517 /nfs/dbraw/zinc/19/05/17/246190517.db2.gz AEBBSPKZGUIKCH-FGTMMUONSA-N 2 0 374.485 0.167 10 0 FCAERP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000419558622 246202600 /nfs/dbraw/zinc/20/26/00/246202600.db2.gz NAIPYXYXPKKJDM-VNHYZAJKSA-N 2 0 352.504 0.958 10 0 FCAERP COc1ccccc1[C@@H]1CNCCN1C(=O)C(=O)N[C@H](C)Cn1ccnc1 ZINC000419677953 246244111 /nfs/dbraw/zinc/24/41/11/246244111.db2.gz DGOYQALPUFMHQL-ZBFHGGJFSA-N 2 0 371.441 0.570 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419696510 246254020 /nfs/dbraw/zinc/25/40/20/246254020.db2.gz VJBXOFUHMNIJNI-CABCVRRESA-N 2 0 368.547 0.578 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419696514 246254441 /nfs/dbraw/zinc/25/44/41/246254441.db2.gz VJBXOFUHMNIJNI-GJZGRUSLSA-N 2 0 368.547 0.578 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000419705203 246261110 /nfs/dbraw/zinc/26/11/10/246261110.db2.gz IPWHBYPTLSCERD-CRAIPNDOSA-N 2 0 358.486 0.976 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419757141 246285796 /nfs/dbraw/zinc/28/57/96/246285796.db2.gz HZKJYOSZCIQYJN-CJNGLKHVSA-N 2 0 350.438 0.488 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419757145 246286916 /nfs/dbraw/zinc/28/69/16/246286916.db2.gz HZKJYOSZCIQYJN-XJKSGUPXSA-N 2 0 350.438 0.488 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419758269 246287055 /nfs/dbraw/zinc/28/70/55/246287055.db2.gz JVEVZOIFVGJATE-CJNGLKHVSA-N 2 0 350.438 0.488 10 0 FCAERP CN(C(=O)C(=O)NCCC[NH2+]C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419841209 246313945 /nfs/dbraw/zinc/31/39/45/246313945.db2.gz FNOAUZSGJIICGG-GOSISDBHSA-N 2 0 358.486 0.978 10 0 FCAERP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000419848022 246319559 /nfs/dbraw/zinc/31/95/59/246319559.db2.gz JYKXCVNJYZDKIO-KRWDZBQOSA-N 2 0 361.490 0.620 10 0 FCAERP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000419918650 246369295 /nfs/dbraw/zinc/36/92/95/246369295.db2.gz UXRPCFQLJNHJHQ-INMHGKMJSA-N 2 0 362.474 0.418 10 0 FCAERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419955272 246385263 /nfs/dbraw/zinc/38/52/63/246385263.db2.gz SBQOMQLMSWOTQD-MRXNPFEDSA-N 2 0 364.465 0.974 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423081428 246961681 /nfs/dbraw/zinc/96/16/81/246961681.db2.gz BRKCVMPCOCJBPJ-IAGOWNOFSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423381401 247015247 /nfs/dbraw/zinc/01/52/47/247015247.db2.gz ZQCYMIVMAZJZID-GPMSIDNRSA-N 2 0 350.507 0.907 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425452395 247343060 /nfs/dbraw/zinc/34/30/60/247343060.db2.gz NRLAZEJGDSDUIG-MRXNPFEDSA-N 2 0 356.511 0.849 10 0 FCAERP CCC(=O)N1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000425433665 247339579 /nfs/dbraw/zinc/33/95/79/247339579.db2.gz MIINKJLTKMCIOC-UHFFFAOYSA-N 2 0 374.489 0.815 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000471227937 250095561 /nfs/dbraw/zinc/09/55/61/250095561.db2.gz MVAULLKKZQRKFH-UHFFFAOYSA-N 2 0 360.458 0.872 10 0 FCAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000481745484 250352240 /nfs/dbraw/zinc/35/22/40/250352240.db2.gz SGZKZYUFEAEAPH-INMHGKMJSA-N 2 0 350.507 0.918 10 0 FCAERP COCC[N@H+](C)CCNC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000091848673 208140185 /nfs/dbraw/zinc/14/01/85/208140185.db2.gz UMVRAPZECHUCKI-QGZVFWFLSA-N 2 0 355.527 0.376 10 0 FCAERP C[N@H+](CCN1C(=O)CNC1=O)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127076 208210771 /nfs/dbraw/zinc/21/07/71/208210771.db2.gz MPWPHSBQVAJCSD-GOSISDBHSA-N 2 0 374.485 0.916 10 0 FCAERP C[N@H+](CCC(=O)NC(N)=O)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127800 208212268 /nfs/dbraw/zinc/21/22/68/208212268.db2.gz NYBFJLUIHYOIRF-KRWDZBQOSA-N 2 0 362.474 0.949 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000108556875 208247765 /nfs/dbraw/zinc/24/77/65/208247765.db2.gz HCHOKYOPFMXBSG-GOSISDBHSA-N 2 0 369.554 0.766 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000111865604 208288876 /nfs/dbraw/zinc/28/88/76/208288876.db2.gz VGKWBUHROAWDNR-AEFFLSMTSA-N 2 0 368.522 0.992 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000111865606 208289171 /nfs/dbraw/zinc/28/91/71/208289171.db2.gz VGKWBUHROAWDNR-WMZOPIPTSA-N 2 0 368.522 0.992 10 0 FCAERP CC(C)[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000117029559 208339833 /nfs/dbraw/zinc/33/98/33/208339833.db2.gz QNGCDTKVDXTUEU-IRXDYDNUSA-N 2 0 355.527 0.230 10 0 FCAERP CCN1CC[NH+](CCCCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000117032731 208340018 /nfs/dbraw/zinc/34/00/18/208340018.db2.gz DYTOZZFSLOWCGC-KRWDZBQOSA-N 2 0 355.527 0.376 10 0 FCAERP CN(C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410499753 230106676 /nfs/dbraw/zinc/10/66/76/230106676.db2.gz USZIASNLVHTXKU-KRWDZBQOSA-N 2 0 350.507 0.872 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000410500840 230107818 /nfs/dbraw/zinc/10/78/18/230107818.db2.gz BXHVRMJIYROUHW-UHFFFAOYSA-N 2 0 368.522 0.357 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[C@@H](C)[C@H](C)O1 ZINC000410968325 230331815 /nfs/dbraw/zinc/33/18/15/230331815.db2.gz DUCZQQZBTLKMRH-PMPSAXMXSA-N 2 0 368.522 0.495 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000302899360 488892784 /nfs/dbraw/zinc/89/27/84/488892784.db2.gz QDJANSWAKHCRDP-QGZVFWFLSA-N 2 0 360.506 0.920 10 0 FCAERP Cn1ncc2c1nc(NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)nc2N ZINC000302909746 488892867 /nfs/dbraw/zinc/89/28/67/488892867.db2.gz YTNMZZZRDLNAGX-UHFFFAOYSA-N 2 0 374.493 0.984 10 0 FCAERP CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000310177343 488895395 /nfs/dbraw/zinc/89/53/95/488895395.db2.gz VMTZNMKVLRBVAI-IAGOWNOFSA-N 2 0 353.488 0.511 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000074167274 488388542 /nfs/dbraw/zinc/38/85/42/488388542.db2.gz DONCEWPFDGTASA-DLBZAZTESA-N 2 0 355.527 0.280 10 0 FCAERP O=C1CCCN1C[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182979109 488391037 /nfs/dbraw/zinc/39/10/37/488391037.db2.gz QKUMMDKCQHVEHL-SFHVURJKSA-N 2 0 353.507 0.794 10 0 FCAERP C[NH+]1CCC[C@H]1CNC(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@H+]2C)n1 ZINC000194704094 488433874 /nfs/dbraw/zinc/43/38/74/488433874.db2.gz AOLODKUJEQVPAD-GJZGRUSLSA-N 2 0 359.474 0.730 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cccc2[nH]ccc21 ZINC000554391829 491199846 /nfs/dbraw/zinc/19/98/46/491199846.db2.gz LWNCPPNIICSMFO-UHFFFAOYSA-N 2 0 373.501 0.778 10 0 FCAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@H](C)N2CCOCC2)C[C@@H]1CC ZINC000247101659 488481735 /nfs/dbraw/zinc/48/17/35/488481735.db2.gz MQTHNCWGFVSEHC-IRXDYDNUSA-N 2 0 356.511 0.849 10 0 FCAERP c1nc2nc(N3CC[N@@H+]4CCC[C@@H]4C3)cc(N3CC[NH+]4CCC[C@H]4C3)n2n1 ZINC000248664932 488500426 /nfs/dbraw/zinc/50/04/26/488500426.db2.gz KVJZVAWZNUWKNY-CVEARBPZSA-N 2 0 368.489 0.693 10 0 FCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103307176 488500666 /nfs/dbraw/zinc/50/06/66/488500666.db2.gz YJDVWMAAQPVHGM-KRWDZBQOSA-N 2 0 367.538 0.912 10 0 FCAERP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCO[C@@]2(CCOC2)C1 ZINC000249037275 488505131 /nfs/dbraw/zinc/50/51/31/488505131.db2.gz UGZVFJVTOXTNKV-APWZRJJASA-N 2 0 360.458 0.610 10 0 FCAERP CC[C@H](CO)[NH+]1CCN(C/C=C\CN2CC[NH+]([C@H](CC)CO)CC2)CC1 ZINC000254969519 488522658 /nfs/dbraw/zinc/52/26/58/488522658.db2.gz IEODZPMKUOSGLW-SBUVDCAVSA-N 2 0 368.566 0.320 10 0 FCAERP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000261618373 488527367 /nfs/dbraw/zinc/52/73/67/488527367.db2.gz FUGFUNLTBPERBS-ZFWWWQNUSA-N 2 0 350.438 0.790 10 0 FCAERP CN1CCC(CNC(=O)[C@@H]([NH3+])C2CCOCC2)([NH+]2CCCCC2)CC1 ZINC000261716003 488532499 /nfs/dbraw/zinc/53/24/99/488532499.db2.gz IYTBLODDJMMJOR-KRWDZBQOSA-N 3 0 352.523 0.807 10 0 FCAERP COc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c(OC)c1OC ZINC000562983947 491205180 /nfs/dbraw/zinc/20/51/80/491205180.db2.gz BLDKBYSUXAJTJG-OAHLLOKOSA-N 2 0 353.463 0.410 10 0 FCAERP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[C@@H]1CC ZINC000262121668 488551774 /nfs/dbraw/zinc/55/17/74/488551774.db2.gz FZJWMYRXMLLEMW-KSZLIROESA-N 2 0 363.506 0.682 10 0 FCAERP CC[C@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2CCOC)CC[N@@H+]1CCOC ZINC000117495233 488551852 /nfs/dbraw/zinc/55/18/52/488551852.db2.gz ZYJALENAAUZRKV-IRXDYDNUSA-N 2 0 356.511 0.849 10 0 FCAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262405291 488568964 /nfs/dbraw/zinc/56/89/64/488568964.db2.gz YVJJYJWADSDYSK-IAGOWNOFSA-N 2 0 352.523 0.759 10 0 FCAERP CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000562997523 491206748 /nfs/dbraw/zinc/20/67/48/491206748.db2.gz UUFPFBJRMYZDHE-DLBZAZTESA-N 2 0 369.531 0.437 10 0 FCAERP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000145813882 488693702 /nfs/dbraw/zinc/69/37/02/488693702.db2.gz QIRUXBBVAQJHPR-SFHVURJKSA-N 2 0 373.501 0.583 10 0 FCAERP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000171386259 488822757 /nfs/dbraw/zinc/82/27/57/488822757.db2.gz VFGVPLACTPHAMG-SFHVURJKSA-N 2 0 350.507 0.921 10 0 FCAERP Cn1cnc2c1c(=O)n(CCC[N@H+](C)CCC[NH+]1CCCC1)c(=O)n2C ZINC000281496269 489080316 /nfs/dbraw/zinc/08/03/16/489080316.db2.gz XTNILIOTOGIKBN-UHFFFAOYSA-N 2 0 362.478 0.242 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1nnc(OC)s1 ZINC000554951485 491233967 /nfs/dbraw/zinc/23/39/67/491233967.db2.gz XBJPCMGEQGQEHD-GFCCVEGCSA-N 2 0 356.496 1.427 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC([NH2+]C(C)C)CC2)C1 ZINC000362891128 489403696 /nfs/dbraw/zinc/40/36/96/489403696.db2.gz RQDUVGLFCBYYFD-GOSISDBHSA-N 2 0 354.539 0.922 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000363599776 489482582 /nfs/dbraw/zinc/48/25/82/489482582.db2.gz GQKQUKQNVBDXOM-IRXDYDNUSA-N 2 0 368.522 0.437 10 0 FCAERP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000423082915 489491962 /nfs/dbraw/zinc/49/19/62/489491962.db2.gz FFDSBVLLTRYKBQ-OAHLLOKOSA-N 2 0 350.507 0.907 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423084379 489492232 /nfs/dbraw/zinc/49/22/32/489492232.db2.gz HXKSPYGGWVEWOH-CALCHBBNSA-N 2 0 350.507 0.920 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC1 ZINC000423097658 489492575 /nfs/dbraw/zinc/49/25/75/489492575.db2.gz QYKBPJKMUSRROZ-UHFFFAOYSA-N 2 0 364.465 0.926 10 0 FCAERP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000423181506 489500125 /nfs/dbraw/zinc/50/01/25/489500125.db2.gz LCAJMGWROOERJY-MSOLQXFVSA-N 2 0 361.486 0.897 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C[C@H]1C[NH3+] ZINC000423226868 489505168 /nfs/dbraw/zinc/50/51/68/489505168.db2.gz SQACCWLIDMWHHA-BRWVUGGUSA-N 2 0 350.507 0.907 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451806065 489524928 /nfs/dbraw/zinc/52/49/28/489524928.db2.gz WHCCVHRHGRMHBI-IAGOWNOFSA-N 2 0 355.523 0.942 10 0 FCAERP CC[C@@H](C)[NH+]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000451820803 489525712 /nfs/dbraw/zinc/52/57/12/489525712.db2.gz FCPYVORQXPJZGE-QZTJIDSGSA-N 2 0 354.539 0.876 10 0 FCAERP Cc1cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000415617511 489537418 /nfs/dbraw/zinc/53/74/18/489537418.db2.gz QPRRTXWJCIRSTR-BBRMVZONSA-N 2 0 362.474 0.988 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C(C)(C)CN2CCCC2)C1 ZINC000452086636 489544111 /nfs/dbraw/zinc/54/41/11/489544111.db2.gz LNXCLBDIKKCRJY-QGZVFWFLSA-N 2 0 354.539 0.923 10 0 FCAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415721851 489545718 /nfs/dbraw/zinc/54/57/18/489545718.db2.gz BRBJSGDPBZZRKT-YOEHRIQHSA-N 2 0 359.474 0.321 10 0 FCAERP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)c2)CC1 ZINC000415859517 489559757 /nfs/dbraw/zinc/55/97/57/489559757.db2.gz BBAYEWHUFBAMTE-GOSISDBHSA-N 2 0 373.501 0.631 10 0 FCAERP CN(CC(C)(C)C[NH3+])C(=O)C[C@]1(C(=O)N(C)CC(C)(C)C[NH3+])CC[NH2+]C1 ZINC000372222349 489560624 /nfs/dbraw/zinc/56/06/24/489560624.db2.gz BADCVBPORWPGIG-LJQANCHMSA-N 3 0 369.554 0.243 10 0 FCAERP C[N@@H+]1CCN(CCNC(=O)NCCC[NH2+]Cc2cccnc2)CC1(C)C ZINC000418172676 489682338 /nfs/dbraw/zinc/68/23/38/489682338.db2.gz PLZRKGQUTDHLDW-UHFFFAOYSA-N 2 0 362.522 0.887 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373319396 489683858 /nfs/dbraw/zinc/68/38/58/489683858.db2.gz AUJSPYYEBOTUHX-CQSZACIVSA-N 2 0 364.494 0.935 10 0 FCAERP O=C(CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)NCC[NH+]1CCCCCC1 ZINC000418753339 489721893 /nfs/dbraw/zinc/72/18/93/489721893.db2.gz VIHWSOOAQKFPJM-ZDUSSCGKSA-N 2 0 361.437 0.275 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)NCC[NH+](C)C ZINC000418792542 489728415 /nfs/dbraw/zinc/72/84/15/489728415.db2.gz NSCPUAWDUXPOHH-HZMVEIRTSA-N 2 0 367.538 0.766 10 0 FCAERP C[C@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000418877948 489770642 /nfs/dbraw/zinc/77/06/42/489770642.db2.gz QCWKLTPGKBODOJ-SZMVWBNQSA-N 2 0 360.502 0.780 10 0 FCAERP CCCN(C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000418877034 489771247 /nfs/dbraw/zinc/77/12/47/489771247.db2.gz NUFJVGAWFCUUCF-ZWKOTPCHSA-N 2 0 360.502 0.876 10 0 FCAERP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000418879853 489772083 /nfs/dbraw/zinc/77/20/83/489772083.db2.gz UNDACODDHQDOED-CRAIPNDOSA-N 2 0 360.502 0.861 10 0 FCAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000418879965 489772353 /nfs/dbraw/zinc/77/23/53/489772353.db2.gz URKOOJLGLOSZFC-JQHSSLGASA-N 2 0 360.502 0.861 10 0 FCAERP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC2=CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000418900421 489782132 /nfs/dbraw/zinc/78/21/32/489782132.db2.gz DAKBNGWSXSSNBE-QZTJIDSGSA-N 2 0 356.470 0.974 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[C@@H]1c1ccccc1 ZINC000418911057 489786605 /nfs/dbraw/zinc/78/66/05/489786605.db2.gz PQQMVBZEBBMAII-ULQDDVLXSA-N 2 0 360.458 0.124 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000418917183 489791397 /nfs/dbraw/zinc/79/13/97/489791397.db2.gz YGYGFYUXJHMPKF-LLLHUVSDSA-N 2 0 374.485 0.777 10 0 FCAERP CC(C)C[C@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)C(=O)NCC[NH+](C)C ZINC000474887521 489792442 /nfs/dbraw/zinc/79/24/42/489792442.db2.gz MXRZQPFURDKIEZ-ZBFHGGJFSA-N 2 0 361.552 0.882 10 0 FCAERP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccco1 ZINC000418933533 489794873 /nfs/dbraw/zinc/79/48/73/489794873.db2.gz AYAINWHQRXYVFY-SOUVJXGZSA-N 2 0 350.463 0.893 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@@H]1C[NH3+] ZINC000418942760 489798641 /nfs/dbraw/zinc/79/86/41/489798641.db2.gz AVSMDMJGBISFLY-CJNGLKHVSA-N 2 0 364.465 0.947 10 0 FCAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419034429 489827342 /nfs/dbraw/zinc/82/73/42/489827342.db2.gz ZNJOARHIQPMELP-DNLWUEFJSA-N 2 0 350.507 0.964 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433322403 489876452 /nfs/dbraw/zinc/87/64/52/489876452.db2.gz QKYHVKWNVIJKTD-IRXDYDNUSA-N 2 0 356.511 0.897 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420058362 489896761 /nfs/dbraw/zinc/89/67/61/489896761.db2.gz JRIZVOMXUYXOBC-ZBFHGGJFSA-N 2 0 368.522 0.796 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420058347 489896982 /nfs/dbraw/zinc/89/69/82/489896982.db2.gz JRIZVOMXUYXOBC-GOEBONIOSA-N 2 0 368.522 0.796 10 0 FCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000420092331 489909028 /nfs/dbraw/zinc/90/90/28/489909028.db2.gz BTUSXFZRJYKYFF-DZGCQCFKSA-N 2 0 352.504 0.753 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000420103898 489912738 /nfs/dbraw/zinc/91/27/38/489912738.db2.gz PYPUDRDSUKRGPB-UHOFOFEASA-N 2 0 350.438 0.659 10 0 FCAERP C[C@]1(CNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCC[NH2+]C1 ZINC000420103072 489912981 /nfs/dbraw/zinc/91/29/81/489912981.db2.gz NWIWFRYHSFUKIE-LPHOPBHVSA-N 2 0 350.507 0.969 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000420112413 489916754 /nfs/dbraw/zinc/91/67/54/489916754.db2.gz HMWRKJQTWLNBCP-PBHICJAKSA-N 2 0 364.465 0.830 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000420130141 489923040 /nfs/dbraw/zinc/92/30/40/489923040.db2.gz XROXRCYREJBGPH-DZGCQCFKSA-N 2 0 352.504 0.753 10 0 FCAERP COc1ccc(OC)c(CCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000571158630 491289243 /nfs/dbraw/zinc/28/92/43/491289243.db2.gz PRHRQFPZHNETQL-KRWDZBQOSA-N 2 0 351.491 0.834 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420167366 489938188 /nfs/dbraw/zinc/93/81/88/489938188.db2.gz RDDZMXQKNYUJGP-UHFFFAOYSA-N 2 0 350.507 0.993 10 0 FCAERP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420201400 489950300 /nfs/dbraw/zinc/95/03/00/489950300.db2.gz ONESOGYMOWLFSW-HNNXBMFYSA-N 2 0 368.522 0.450 10 0 FCAERP CN(CC1CC1)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420206798 489951944 /nfs/dbraw/zinc/95/19/44/489951944.db2.gz PRPLEAOZUPYTGE-UHFFFAOYSA-N 2 0 358.486 0.965 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000378320116 490048873 /nfs/dbraw/zinc/04/88/73/490048873.db2.gz OZDJIOFXXUSARZ-RDJZCZTQSA-N 2 0 350.507 0.966 10 0 FCAERP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC[C@@H]21 ZINC000556172513 491300622 /nfs/dbraw/zinc/30/06/22/491300622.db2.gz ZNTMSORTBMPLQX-IRXDYDNUSA-N 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O=C(CN1CCC(C[NH+]2CCOCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000520387937 490140809 /nfs/dbraw/zinc/14/08/09/490140809.db2.gz WRHIBOITLRTESF-UHFFFAOYSA-N 2 0 364.534 0.774 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346651 491302439 /nfs/dbraw/zinc/30/24/39/491302439.db2.gz FEIHHKKTWTVXJK-QUCCMNQESA-N 2 0 366.550 0.877 10 0 FCAERP C[C@@H]1C[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C[N@@H+]1Cc1ccccc1 ZINC000398134703 490167628 /nfs/dbraw/zinc/16/76/28/490167628.db2.gz KTHLDYFUOOTQDB-HYVNUMGLSA-N 2 0 353.488 0.557 10 0 FCAERP C[C@@H]1CN(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000408010086 490203847 /nfs/dbraw/zinc/20/38/47/490203847.db2.gz NDFWBBFAYVBUBO-HUUCEWRRSA-N 2 0 362.540 0.298 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000422295462 490238327 /nfs/dbraw/zinc/23/83/27/490238327.db2.gz NUWBPUOEJYPJBT-OAHLLOKOSA-N 2 0 359.430 0.178 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000533814847 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0 374.485 0.598 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000423035407 490525624 /nfs/dbraw/zinc/52/56/24/490525624.db2.gz JJAJHHSAQZGLKC-UHFFFAOYSA-N 2 0 358.486 0.931 10 0 FCAERP CN(C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423066305 490535262 /nfs/dbraw/zinc/53/52/62/490535262.db2.gz DLDFEGJABQLKCH-ROUUACIJSA-N 2 0 374.485 0.296 10 0 FCAERP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000502054020 490672803 /nfs/dbraw/zinc/67/28/03/490672803.db2.gz KLUVETOXSSOLQP-QZTJIDSGSA-N 2 0 352.523 0.583 10 0 FCAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000502054021 490672998 /nfs/dbraw/zinc/67/29/98/490672998.db2.gz KLUVETOXSSOLQP-ROUUACIJSA-N 2 0 352.523 0.583 10 0 FCAERP COC(=O)[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000487037027 490689902 /nfs/dbraw/zinc/68/99/02/490689902.db2.gz FILCQNBIUWRZSD-HOTGVXAUSA-N 2 0 356.463 0.773 10 0 FCAERP 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VAVNGFZDOGSRSO-UHFFFAOYSA-N 2 0 370.538 0.696 10 0 FCAERP CCCN(C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)[C@@H]1CC[NH2+]C1 ZINC000574340660 491490347 /nfs/dbraw/zinc/49/03/47/491490347.db2.gz OCCOGDREGGMWMB-MRXNPFEDSA-N 2 0 353.511 0.761 10 0 FCAERP C[NH+](C)CCOCCNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000574358216 491491284 /nfs/dbraw/zinc/49/12/84/491491284.db2.gz QGLZDOBJSOHQAV-INIZCTEOSA-N 2 0 354.495 0.158 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](O)CC23CCC3)C1 ZINC000574509898 491501490 /nfs/dbraw/zinc/50/14/90/491501490.db2.gz PWEYDONHPWTDRF-DLBZAZTESA-N 2 0 353.507 0.839 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574572548 491505792 /nfs/dbraw/zinc/50/57/92/491505792.db2.gz ZAFVKOVCVIIEDZ-KRWDZBQOSA-N 2 0 369.535 0.826 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000574856129 491523931 /nfs/dbraw/zinc/52/39/31/491523931.db2.gz ACJBMBLRXVXSLL-UHFFFAOYSA-N 2 0 363.462 0.149 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000567708568 491524090 /nfs/dbraw/zinc/52/40/90/491524090.db2.gz RQBHYXTZZKBWQP-QZTJIDSGSA-N 2 0 361.490 0.491 10 0 FCAERP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000575029097 491534840 /nfs/dbraw/zinc/53/48/40/491534840.db2.gz KCKCKHGYTLVYMF-KRWDZBQOSA-N 2 0 359.474 0.374 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000568077044 491551982 /nfs/dbraw/zinc/55/19/82/491551982.db2.gz QQMJFYCFRANYDV-UHFFFAOYSA-N 2 0 368.522 0.450 10 0 FCAERP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000568270020 491565531 /nfs/dbraw/zinc/56/55/31/491565531.db2.gz KQNFNFCVIYHXEF-HDICACEKSA-N 2 0 362.518 0.779 10 0 FCAERP Cn1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C2CC2)n1 ZINC000575919789 491570407 /nfs/dbraw/zinc/57/04/07/491570407.db2.gz PCRLAODPEYYFJS-UHFFFAOYSA-N 2 0 350.467 0.188 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000561120644 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492552516 /nfs/dbraw/zinc/55/25/16/492552516.db2.gz FTWPEQHVBWNTBX-IPMKNSEASA-N 2 0 366.550 0.923 10 0 FCAERP CN1CCOC[C@@H]1CNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000623568682 492567735 /nfs/dbraw/zinc/56/77/35/492567735.db2.gz HDLFYXWFXZKZHL-KRWDZBQOSA-N 2 0 364.490 0.799 10 0 FCAERP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000656297167 492575902 /nfs/dbraw/zinc/57/59/02/492575902.db2.gz VGBCNWCUVBHPRE-UHFFFAOYSA-N 2 0 368.522 0.548 10 0 FCAERP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656302979 492578354 /nfs/dbraw/zinc/57/83/54/492578354.db2.gz OBLMNYDSGSKOQZ-YHUYYLMFSA-N 2 0 356.511 0.447 10 0 FCAERP C[NH2+]CCOCCN(C)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000629568859 492647234 /nfs/dbraw/zinc/64/72/34/492647234.db2.gz XDVXGFPUGGGCLE-UHFFFAOYSA-N 2 0 372.491 0.057 10 0 FCAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650645368 492658383 /nfs/dbraw/zinc/65/83/83/492658383.db2.gz OKNQEYBVETVBRF-IRXDYDNUSA-N 2 0 367.538 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CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000629809711 492682722 /nfs/dbraw/zinc/68/27/22/492682722.db2.gz SRAYQXAKGRTKGC-UHFFFAOYSA-N 2 0 366.506 0.300 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650927155 492684249 /nfs/dbraw/zinc/68/42/49/492684249.db2.gz BQDPSRDWODVSAH-UHFFFAOYSA-N 2 0 353.511 0.524 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1=O ZINC000650935459 492685653 /nfs/dbraw/zinc/68/56/53/492685653.db2.gz JUIBLIITWMQEEX-MQVJKMGUSA-N 2 0 351.495 0.417 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(N(C)C)nc1 ZINC000657070975 492709221 /nfs/dbraw/zinc/70/92/21/492709221.db2.gz DAUXVVAKEWAMQQ-AWEZNQCLSA-N 2 0 357.524 0.698 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(-c2nncnn2)cc1 ZINC000651399526 492751103 /nfs/dbraw/zinc/75/11/03/492751103.db2.gz YLEKKOQFNYTEPF-UHFFFAOYSA-N 2 0 372.477 0.568 10 0 FCAERP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000625370075 492765373 /nfs/dbraw/zinc/76/53/73/492765373.db2.gz IPKAZUPMYDHHEG-GOSISDBHSA-N 2 0 371.485 0.863 10 0 FCAERP C[C@@H](C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)CN1CC[NH+](C)CC1 ZINC000644562732 492785360 /nfs/dbraw/zinc/78/53/60/492785360.db2.gz QOZQGINGHBIYEK-JKSUJKDBSA-N 2 0 365.474 0.628 10 0 FCAERP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)c4ccccc43)C2)CC1 ZINC000625522178 492809500 /nfs/dbraw/zinc/80/95/00/492809500.db2.gz LNOOCCRAVWUUAU-RDTXWAMCSA-N 2 0 356.470 0.798 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000625552295 492818173 /nfs/dbraw/zinc/81/81/73/492818173.db2.gz NOVLHNVABDGHFW-DOTOQJQBSA-N 2 0 350.507 0.920 10 0 FCAERP O=C1NC(=O)C2(CCC([NH2+]Cc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)CC2)N1 ZINC000658134347 492843077 /nfs/dbraw/zinc/84/30/77/492843077.db2.gz AKZJHNPVOLQTTG-GNZRSQJKSA-N 2 0 372.469 0.864 10 0 FCAERP CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631911921 492878030 /nfs/dbraw/zinc/87/80/30/492878030.db2.gz AUKVHDYURQBBED-KRWDZBQOSA-N 2 0 355.504 0.935 10 0 FCAERP Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631913538 492879463 /nfs/dbraw/zinc/87/94/63/492879463.db2.gz LHLWULLAQZRJHP-GOSISDBHSA-N 2 0 367.515 0.867 10 0 FCAERP C[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000645220134 492879525 /nfs/dbraw/zinc/87/95/25/492879525.db2.gz NBAAGHAFVFVSHE-PMPSAXMXSA-N 2 0 353.511 0.868 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631919664 492884715 /nfs/dbraw/zinc/88/47/15/492884715.db2.gz KRGZXKGZGJIXNI-SFHVURJKSA-N 2 0 372.579 0.904 10 0 FCAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631920260 492885238 /nfs/dbraw/zinc/88/52/38/492885238.db2.gz VSIOAZXZMLDHCR-IKGGRYGDSA-N 2 0 359.536 0.891 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000652152611 492888317 /nfs/dbraw/zinc/88/83/17/492888317.db2.gz RRJHQQUOGXVWIK-KRWDZBQOSA-N 2 0 367.538 0.565 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000631940990 492893241 /nfs/dbraw/zinc/89/32/41/492893241.db2.gz LGVXVGVPVJMMAP-OIISXLGYSA-N 2 0 371.478 0.427 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000631942952 492893925 /nfs/dbraw/zinc/89/39/25/492893925.db2.gz JTTWSCVOOUUEBV-IRXDYDNUSA-N 2 0 358.552 0.418 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000652224749 492896722 /nfs/dbraw/zinc/89/67/22/492896722.db2.gz HFGCRCODSUKBRU-INIZCTEOSA-N 2 0 355.527 0.993 10 0 FCAERP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658451726 492898949 /nfs/dbraw/zinc/89/89/49/492898949.db2.gz AWASHBJEZMVVED-KRWDZBQOSA-N 2 0 368.522 0.090 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000632026654 492913863 /nfs/dbraw/zinc/91/38/63/492913863.db2.gz JVEPGKOCBQQEBC-SJORKVTESA-N 2 0 360.568 0.616 10 0 FCAERP CCO[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C[C@H]1C[NH3+] ZINC000652356968 492914761 /nfs/dbraw/zinc/91/47/61/492914761.db2.gz UDELJAVEDJINOJ-IAGOWNOFSA-N 2 0 361.490 0.416 10 0 FCAERP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000652362557 492916533 /nfs/dbraw/zinc/91/65/33/492916533.db2.gz JONOCGQCWCDSJR-NUEKZKHPSA-N 2 0 371.507 0.059 10 0 FCAERP Cc1cn2c(n1)C[C@H](C(=O)N1CC[C@H](OCCN3CCOCC3)C1)CC2 ZINC000626105940 492933136 /nfs/dbraw/zinc/93/31/36/492933136.db2.gz VJQIKXDUPYSGDZ-SJORKVTESA-N 2 0 362.474 0.704 10 0 FCAERP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000645623986 492946066 /nfs/dbraw/zinc/94/60/66/492946066.db2.gz SAKCVVABUGVNRS-GDBMZVCRSA-N 2 0 360.458 0.858 10 0 FCAERP C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632184056 492946823 /nfs/dbraw/zinc/94/68/23/492946823.db2.gz MIVAMMBXDAYMFC-WBVHZDCISA-N 2 0 355.504 0.757 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCc1ncn(C)n1 ZINC000645768817 492973034 /nfs/dbraw/zinc/97/30/34/492973034.db2.gz ZOGOKYLDRPEVOM-MRXNPFEDSA-N 2 0 365.526 0.805 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000652672113 492983858 /nfs/dbraw/zinc/98/38/58/492983858.db2.gz YZHZLAFVKBJINE-HZPDHXFCSA-N 2 0 366.506 0.116 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000652672486 492984097 /nfs/dbraw/zinc/98/40/97/492984097.db2.gz LQEAUFYACOWGCV-HZPDHXFCSA-N 2 0 354.495 0.047 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000652682673 492988698 /nfs/dbraw/zinc/98/86/98/492988698.db2.gz PVXOKPARTWLROX-OAHLLOKOSA-N 2 0 354.495 0.204 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000652683058 492988834 /nfs/dbraw/zinc/98/88/34/492988834.db2.gz CKHVHVALPCEPOV-IAGOWNOFSA-N 2 0 368.522 0.437 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652692954 492992104 /nfs/dbraw/zinc/99/21/04/492992104.db2.gz IOEFNQVLRBIYQA-LTIDMASMSA-N 2 0 368.522 0.578 10 0 FCAERP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658677354 493004901 /nfs/dbraw/zinc/00/49/01/493004901.db2.gz AKHPREQXSGYQGP-INIZCTEOSA-N 2 0 356.511 0.354 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000652726643 493006124 /nfs/dbraw/zinc/00/61/24/493006124.db2.gz GEOIAKLBOJPKPJ-UHFFFAOYSA-N 2 0 366.506 0.300 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652729469 493007923 /nfs/dbraw/zinc/00/79/23/493007923.db2.gz HDZTWOPBKGGGKR-ZJIFWQFVSA-N 2 0 354.495 0.140 10 0 FCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CC[NH+]3C(C)(C)C)CC[C@@H]21 ZINC000658705673 493019203 /nfs/dbraw/zinc/01/92/03/493019203.db2.gz KHHMCSZKOSMRIY-PMPSAXMXSA-N 2 0 350.507 0.918 10 0 FCAERP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000626791928 493019976 /nfs/dbraw/zinc/01/99/76/493019976.db2.gz ATSMDWFFFKZHFR-UHFFFAOYSA-N 2 0 358.442 0.850 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626806416 493022850 /nfs/dbraw/zinc/02/28/50/493022850.db2.gz KQVLSAINJXAGCG-CQSZACIVSA-N 2 0 360.458 0.907 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626809096 493023589 /nfs/dbraw/zinc/02/35/89/493023589.db2.gz BYDYGUMUVMMNEP-WBMJQRKESA-N 2 0 358.442 0.706 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000626851022 493036584 /nfs/dbraw/zinc/03/65/84/493036584.db2.gz LVBHEIRBQMBPGL-OAHLLOKOSA-N 2 0 374.489 0.879 10 0 FCAERP CCN(C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658801366 493060522 /nfs/dbraw/zinc/06/05/22/493060522.db2.gz ARVREKRRTXEAAP-KRWDZBQOSA-N 2 0 366.506 0.110 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)[C@H]1CC[N@H+](CC)C1 ZINC000658827920 493074812 /nfs/dbraw/zinc/07/48/12/493074812.db2.gz YISWSJDKGOITBC-QFBILLFUSA-N 2 0 350.507 0.873 10 0 FCAERP CCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658830142 493076960 /nfs/dbraw/zinc/07/69/60/493076960.db2.gz QGUAYHFTJWEGDR-KRWDZBQOSA-N 2 0 359.474 0.673 10 0 FCAERP C[C@@]1(CNC(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CCC[NH2+]C1 ZINC000627085829 493086589 /nfs/dbraw/zinc/08/65/89/493086589.db2.gz XDFQUNFLJBULAH-PKOBYXMFSA-N 2 0 361.490 0.971 10 0 FCAERP CC(C)[NH+]1CCC(N2CCN(C(=O)NCC3([NH3+])CCOCC3)CC2)CC1 ZINC000627151038 493097502 /nfs/dbraw/zinc/09/75/02/493097502.db2.gz FXVPKNVOMHOPDN-UHFFFAOYSA-N 2 0 367.538 0.694 10 0 FCAERP C[NH2+]CCOCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000627173817 493100868 /nfs/dbraw/zinc/10/08/68/493100868.db2.gz GKAOYXNVBFSVCE-QZTJIDSGSA-N 2 0 364.490 0.405 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@@]1(C)C[NH3+] ZINC000633006816 493102617 /nfs/dbraw/zinc/10/26/17/493102617.db2.gz UCZCOVIRMRCVCR-FZKQIMNGSA-N 2 0 362.478 0.532 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C[NH2+]1 ZINC000627205587 493106824 /nfs/dbraw/zinc/10/68/24/493106824.db2.gz CBPSCTQPJCBERP-UGUYLWEFSA-N 2 0 351.495 0.417 10 0 FCAERP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cccc21 ZINC000633031590 493106941 /nfs/dbraw/zinc/10/69/41/493106941.db2.gz PBGJXZCXHKREKP-DVOMOZLQSA-N 2 0 358.442 0.973 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627206704 493107319 /nfs/dbraw/zinc/10/73/19/493107319.db2.gz IAGPRDBEHCRISW-JKSUJKDBSA-N 2 0 356.511 0.896 10 0 FCAERP [NH3+]CCCOCCNC(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000627218877 493108387 /nfs/dbraw/zinc/10/83/87/493108387.db2.gz KAIXVJNNDXVCNC-MSOLQXFVSA-N 2 0 362.474 0.647 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCO1 ZINC000658927645 493112222 /nfs/dbraw/zinc/11/22/22/493112222.db2.gz VBNFQRQUTHJUHW-XHSDSOJGSA-N 2 0 354.495 0.012 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCO1 ZINC000658926596 493112394 /nfs/dbraw/zinc/11/23/94/493112394.db2.gz DKWSIUGYBCLKAP-LPHOPBHVSA-N 2 0 366.506 0.110 10 0 FCAERP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000633107479 493129912 /nfs/dbraw/zinc/12/99/12/493129912.db2.gz UOLDVQUNAYAHMG-UHFFFAOYSA-N 2 0 350.507 0.921 10 0 FCAERP C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[NH+]1CCCC1 ZINC000659070905 493138421 /nfs/dbraw/zinc/13/84/21/493138421.db2.gz DHKRHZXCNLMKRV-YOEHRIQHSA-N 2 0 360.458 0.887 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@H]1c1ccccc1 ZINC000627297321 493138997 /nfs/dbraw/zinc/13/89/97/493138997.db2.gz HJWZLFIWWBVQJB-YESZJQIVSA-N 2 0 356.470 0.949 10 0 FCAERP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCCO1 ZINC000627296692 493139167 /nfs/dbraw/zinc/13/91/67/493139167.db2.gz PACXENOOVAYXDH-LSDHHAIUSA-N 2 0 352.479 0.004 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297408 493140779 /nfs/dbraw/zinc/14/07/79/493140779.db2.gz JEXLOQFFTCSPLS-LSDHHAIUSA-N 2 0 354.495 0.108 10 0 FCAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000659076921 493141861 /nfs/dbraw/zinc/14/18/61/493141861.db2.gz BTRMLDFLRQYRRB-MSOLQXFVSA-N 2 0 372.469 0.983 10 0 FCAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000659076925 493142077 /nfs/dbraw/zinc/14/20/77/493142077.db2.gz BTRMLDFLRQYRRB-ZWKOTPCHSA-N 2 0 372.469 0.983 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659079282 493143547 /nfs/dbraw/zinc/14/35/47/493143547.db2.gz MMDJWQBYZDHVOQ-DLBZAZTESA-N 2 0 360.458 0.887 10 0 FCAERP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)C2)C1 ZINC000659084454 493146040 /nfs/dbraw/zinc/14/60/40/493146040.db2.gz ZLBHLZOKYZVYCO-XLIONFOSSA-N 2 0 372.469 0.840 10 0 FCAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627312087 493146807 /nfs/dbraw/zinc/14/68/07/493146807.db2.gz OZWBQWFKTOMMSM-HUUCEWRRSA-N 2 0 368.522 0.483 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)[C@H](C)C1 ZINC000627313689 493147260 /nfs/dbraw/zinc/14/72/60/493147260.db2.gz KQRAQUSVXSMXBQ-YYIAUSFCSA-N 2 0 368.522 0.496 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627314892 493148124 /nfs/dbraw/zinc/14/81/24/493148124.db2.gz PSJKAJODQJHBHF-ZBFHGGJFSA-N 2 0 354.495 0.249 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627314889 493148593 /nfs/dbraw/zinc/14/85/93/493148593.db2.gz PSJKAJODQJHBHF-GDBMZVCRSA-N 2 0 354.495 0.249 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000633413734 493153393 /nfs/dbraw/zinc/15/33/93/493153393.db2.gz NTHUWJXPDJFFIW-DLBZAZTESA-N 2 0 352.523 0.630 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627328403 493155465 /nfs/dbraw/zinc/15/54/65/493155465.db2.gz AIHVMUVTDNEYKO-HZPDHXFCSA-N 2 0 350.507 0.871 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627328587 493156285 /nfs/dbraw/zinc/15/62/85/493156285.db2.gz GWDZGVQWHJOIJX-FFZOFVMBSA-N 2 0 364.534 0.929 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000659114972 493161099 /nfs/dbraw/zinc/16/10/99/493161099.db2.gz SXOYUDUPRMVVQS-SFHVURJKSA-N 2 0 374.485 0.840 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCOCC1 ZINC000627345933 493165181 /nfs/dbraw/zinc/16/51/81/493165181.db2.gz ZPFZEGCBEPZMQM-UHFFFAOYSA-N 2 0 374.485 0.523 10 0 FCAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647171847 493174638 /nfs/dbraw/zinc/17/46/38/493174638.db2.gz YSASQSCXCNYDDL-CYBMUJFWSA-N 2 0 358.483 0.589 10 0 FCAERP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627381453 493190991 /nfs/dbraw/zinc/19/09/91/493190991.db2.gz RGSIVJYAXKBSSL-QGZVFWFLSA-N 2 0 371.485 0.815 10 0 FCAERP [NH3+]CCCOCCNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000627382377 493191060 /nfs/dbraw/zinc/19/10/60/493191060.db2.gz WQQRLGBHEGLUBD-UHFFFAOYSA-N 2 0 354.495 0.381 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000627385839 493193811 /nfs/dbraw/zinc/19/38/11/493193811.db2.gz YEOKRXXDGZCLJM-UONOGXRCSA-N 2 0 354.520 0.331 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000627388292 493195954 /nfs/dbraw/zinc/19/59/54/493195954.db2.gz QXDKMPPGJCKFKM-NVXWUHKLSA-N 2 0 362.474 0.118 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCCCC1 ZINC000627397946 493202213 /nfs/dbraw/zinc/20/22/13/493202213.db2.gz ZLRKCCWRAWLCBH-HDICACEKSA-N 2 0 350.507 0.825 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000627414229 493208058 /nfs/dbraw/zinc/20/80/58/493208058.db2.gz ICGPSRNJQMQLRI-SFHVURJKSA-N 2 0 366.506 0.206 10 0 FCAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000659588358 493217716 /nfs/dbraw/zinc/21/77/16/493217716.db2.gz XVDQEOOKWZBSDC-ROUUACIJSA-N 2 0 374.485 0.915 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659673710 493244401 /nfs/dbraw/zinc/24/44/01/493244401.db2.gz GLMVFIXIXGRTTC-ARFHVFGLSA-N 2 0 350.438 0.173 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000659673413 493244707 /nfs/dbraw/zinc/24/47/07/493244707.db2.gz DPIIXPVKZUBAOX-FVRSWCFKSA-N 2 0 362.499 0.951 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)Cc1ccccc1 ZINC000659675808 493245038 /nfs/dbraw/zinc/24/50/38/493245038.db2.gz YDOJDYQZAGIULR-ARFHVFGLSA-N 2 0 350.438 0.173 10 0 FCAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659675702 493245760 /nfs/dbraw/zinc/24/57/60/493245760.db2.gz SOHHGXXHRQYPCT-TZGCNFNXSA-N 2 0 350.507 0.871 10 0 FCAERP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccco1 ZINC000659679476 493247660 /nfs/dbraw/zinc/24/76/60/493247660.db2.gz YFLHHFJPYNIXLA-MCIONIFRSA-N 2 0 354.426 0.676 10 0 FCAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659681413 493248685 /nfs/dbraw/zinc/24/86/85/493248685.db2.gz UHZYRGUFEAQUBD-NRUSHDPLSA-N 2 0 350.507 0.809 10 0 FCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659682660 493250506 /nfs/dbraw/zinc/25/05/06/493250506.db2.gz NAJSQKCDDSGGJZ-MWQQHZPXSA-N 2 0 362.449 0.836 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[C@@H](C)C1 ZINC000659683380 493251074 /nfs/dbraw/zinc/25/10/74/493251074.db2.gz XJWQQCOQVWZIJH-UYFTZEKXSA-N 2 0 366.506 0.189 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000659690814 493255118 /nfs/dbraw/zinc/25/51/18/493255118.db2.gz XNTWOGUGQDNAEC-UHFFFAOYSA-N 2 0 370.497 0.678 10 0 FCAERP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659690288 493255239 /nfs/dbraw/zinc/25/52/39/493255239.db2.gz QQBKQAATCVTIOC-UHFFFAOYSA-N 2 0 360.458 0.111 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000659692090 493255924 /nfs/dbraw/zinc/25/59/24/493255924.db2.gz OUVDGLOGMSSHCN-UHFFFAOYSA-N 2 0 356.470 0.848 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C[N@@H+]1C1CC1 ZINC000659694227 493257957 /nfs/dbraw/zinc/25/79/57/493257957.db2.gz SALPAKLWYARKRI-OIISXLGYSA-N 2 0 362.518 0.966 10 0 FCAERP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659715366 493268410 /nfs/dbraw/zinc/26/84/10/493268410.db2.gz PAKQEBDHQGVDHG-WBVHZDCISA-N 2 0 358.486 0.868 10 0 FCAERP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000641651540 493271229 /nfs/dbraw/zinc/27/12/29/493271229.db2.gz DDANUMMHXHNCHR-KGLIPLIRSA-N 2 0 361.412 0.478 10 0 FCAERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659740348 493281165 /nfs/dbraw/zinc/28/11/65/493281165.db2.gz LPFDZUCTNQFNNR-IDYZSHNDSA-N 2 0 370.497 0.630 10 0 FCAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659744219 493282560 /nfs/dbraw/zinc/28/25/60/493282560.db2.gz SAORZFWDJPKMOT-VPRUJKLYSA-N 2 0 362.518 0.968 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000673326085 493317126 /nfs/dbraw/zinc/31/71/26/493317126.db2.gz GNNPQVMMVXBRNX-BPQIPLTHSA-N 2 0 358.486 0.976 10 0 FCAERP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000673351295 493319948 /nfs/dbraw/zinc/31/99/48/493319948.db2.gz NLTJMXIVIUFOIZ-SJORKVTESA-N 2 0 362.474 0.242 10 0 FCAERP CC[NH+](CC)CCNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000668327552 493331312 /nfs/dbraw/zinc/33/13/12/493331312.db2.gz CMWOIQVEFTWMHQ-UHFFFAOYSA-N 2 0 368.522 0.452 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000673869000 493369412 /nfs/dbraw/zinc/36/94/12/493369412.db2.gz KXPOZRVJSBJAAE-AWEZNQCLSA-N 2 0 365.482 0.154 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660700453 493373000 /nfs/dbraw/zinc/37/30/00/493373000.db2.gz KQNIGKJEKPVMOP-DLBZAZTESA-N 2 0 354.495 0.650 10 0 FCAERP COCC[N@@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660705841 493373594 /nfs/dbraw/zinc/37/35/94/493373594.db2.gz XHQUVHGDQIMPDY-KRWDZBQOSA-N 2 0 368.522 0.897 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000668585182 493380250 /nfs/dbraw/zinc/38/02/50/493380250.db2.gz JBXHRIGGTZBWJX-IKGGRYGDSA-N 2 0 366.506 0.299 10 0 FCAERP CC[N@@H+]1CCCN(CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)[C@H](C)C1 ZINC000660797667 493380706 /nfs/dbraw/zinc/38/07/06/493380706.db2.gz ZZWGBTMAVDURSQ-MSOLQXFVSA-N 2 0 354.539 0.876 10 0 FCAERP O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)N1CCOC2(C[NH2+]C2)C1 ZINC000668608587 493383048 /nfs/dbraw/zinc/38/30/48/493383048.db2.gz YVSPCOUPWHGTPQ-KRWDZBQOSA-N 2 0 360.458 0.271 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000660865726 493389154 /nfs/dbraw/zinc/38/91/54/493389154.db2.gz UFGDQXNPERDNJS-DLBZAZTESA-N 2 0 367.538 0.565 10 0 FCAERP O=C(C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000661081927 493407646 /nfs/dbraw/zinc/40/76/46/493407646.db2.gz JCUUBVHMYKGFOB-IBGZPJMESA-N 2 0 365.518 0.887 10 0 FCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668777024 493408831 /nfs/dbraw/zinc/40/88/31/493408831.db2.gz LRYMYNIOECOOIU-CVEARBPZSA-N 2 0 356.511 0.402 10 0 FCAERP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668777025 493408987 /nfs/dbraw/zinc/40/89/87/493408987.db2.gz LRYMYNIOECOOIU-HOTGVXAUSA-N 2 0 356.511 0.402 10 0 FCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668795280 493412142 /nfs/dbraw/zinc/41/21/42/493412142.db2.gz YDXMIVZUMQBFTE-IRXDYDNUSA-N 2 0 366.506 0.035 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](Cn3ccnn3)C2)C1 ZINC000661146370 493412805 /nfs/dbraw/zinc/41/28/05/493412805.db2.gz KMCXLQLAVODXQP-DLBZAZTESA-N 2 0 364.494 0.073 10 0 FCAERP C[N@@H+]1CCN(CCNC(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1(C)C ZINC000668992048 493447624 /nfs/dbraw/zinc/44/76/24/493447624.db2.gz KSFIMUFFIROLGR-OAHLLOKOSA-N 2 0 367.538 0.118 10 0 FCAERP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCCN3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC000661884401 493471930 /nfs/dbraw/zinc/47/19/30/493471930.db2.gz XNMOWGZSDBVCGE-BBWFWOEESA-N 2 0 359.536 0.146 10 0 FCAERP CCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000669250355 493482863 /nfs/dbraw/zinc/48/28/63/493482863.db2.gz JKIMVYJTXMYHAQ-DLBZAZTESA-N 2 0 368.522 0.546 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000662152859 493492899 /nfs/dbraw/zinc/49/28/99/493492899.db2.gz IHCGSWHBSMHDJM-UXHICEINSA-N 2 0 374.529 0.937 10 0 FCAERP CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000669569648 493511515 /nfs/dbraw/zinc/51/15/15/493511515.db2.gz DPJGQIRBDQPQNO-HOTGVXAUSA-N 2 0 363.437 0.211 10 0 FCAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662488005 493520527 /nfs/dbraw/zinc/52/05/27/493520527.db2.gz WXUPKGKRYIXNAT-INIZCTEOSA-N 2 0 364.494 0.776 10 0 FCAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000676088951 493522837 /nfs/dbraw/zinc/52/28/37/493522837.db2.gz FRFCVOYGFJLKTE-CVEARBPZSA-N 2 0 354.414 0.949 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676094227 493523307 /nfs/dbraw/zinc/52/33/07/493523307.db2.gz FLVAFBUDFOVNMC-UHFFFAOYSA-N 2 0 360.418 0.242 10 0 FCAERP CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676099220 493525305 /nfs/dbraw/zinc/52/53/05/493525305.db2.gz LZOSQGKHJKPDDQ-MRXNPFEDSA-N 2 0 374.445 0.679 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1 ZINC000676128927 493526400 /nfs/dbraw/zinc/52/64/00/493526400.db2.gz GKFFBZHEXPUITD-DLBZAZTESA-N 2 0 364.494 0.944 10 0 FCAERP COCC1(CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC[NH2+]CC1 ZINC000662775988 493541105 /nfs/dbraw/zinc/54/11/05/493541105.db2.gz FTEYSIVYIOUKJK-AWEZNQCLSA-N 2 0 350.467 0.339 10 0 FCAERP O=C(N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1([NH2+]C2CC2)CCC1 ZINC000662816118 493544631 /nfs/dbraw/zinc/54/46/31/493544631.db2.gz MTCNLSKZCZXOAA-HOTGVXAUSA-N 2 0 361.490 0.408 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cn(CCCC[NH3+])nn2)cc1 ZINC000662867872 493548340 /nfs/dbraw/zinc/54/83/40/493548340.db2.gz OCPGTJQHAGSXGF-IRXDYDNUSA-N 2 0 372.473 0.901 10 0 FCAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662951896 493560104 /nfs/dbraw/zinc/56/01/04/493560104.db2.gz PLZZGYCTZZJVGZ-ARFHVFGLSA-N 2 0 354.495 0.284 10 0 FCAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662957850 493560802 /nfs/dbraw/zinc/56/08/02/493560802.db2.gz NNBURFSWRPYWNC-ARFHVFGLSA-N 2 0 354.495 0.141 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CCO1 ZINC000662992193 493565362 /nfs/dbraw/zinc/56/53/62/493565362.db2.gz CJDNKXYCJSMVJS-INIZCTEOSA-N 2 0 366.506 0.158 10 0 FCAERP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662989258 493565377 /nfs/dbraw/zinc/56/53/77/493565377.db2.gz DOIXBQJZVIUQBP-HUUCEWRRSA-N 2 0 354.426 0.458 10 0 FCAERP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000670885284 493608677 /nfs/dbraw/zinc/60/86/77/493608677.db2.gz NPKALCBWDZSIBX-INIZCTEOSA-N 2 0 362.474 0.454 10 0 FCAERP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000670883937 493608851 /nfs/dbraw/zinc/60/88/51/493608851.db2.gz ABBFILQKSVVYTL-INIZCTEOSA-N 2 0 362.474 0.454 10 0 FCAERP CN1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1=O ZINC000663879368 493622875 /nfs/dbraw/zinc/62/28/75/493622875.db2.gz PCIRYYWZXSRMIX-UHFFFAOYSA-N 2 0 374.489 0.467 10 0 FCAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000671032039 493624482 /nfs/dbraw/zinc/62/44/82/493624482.db2.gz XVVVJVVSZSWVLK-MRXNPFEDSA-N 2 0 354.495 0.206 10 0 FCAERP CC[NH+](CC)CCOCCNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664648693 493675011 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CC(C)C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[NH+](C)C ZINC000125316265 546540967 /nfs/dbraw/zinc/54/09/67/546540967.db2.gz DDIHUWJFNZDXFX-OAHLLOKOSA-N 2 0 352.483 0.476 10 0 FCAERP COC(=O)CCN1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)[C@@H](C)C1 ZINC000592953522 546680064 /nfs/dbraw/zinc/68/00/64/546680064.db2.gz VJBQJMPUSBCGNV-XJKSGUPXSA-N 2 0 351.422 0.964 10 0 FCAERP COC(=O)CCN1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)[C@@H](C)C1 ZINC000592953518 546680397 /nfs/dbraw/zinc/68/03/97/546680397.db2.gz VJBQJMPUSBCGNV-BBRMVZONSA-N 2 0 351.422 0.964 10 0 FCAERP COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000594736042 546818818 /nfs/dbraw/zinc/81/88/18/546818818.db2.gz OCPNOGNUALOIOH-XQQFMLRXSA-N 2 0 365.396 0.857 10 0 FCAERP O=C(C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1)NC1CC[NH+](C2CC2)CC1 ZINC000550502843 547089100 /nfs/dbraw/zinc/08/91/00/547089100.db2.gz UINXZXPPWFHEAO-OALUTQOASA-N 2 0 351.491 0.639 10 0 FCAERP COCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000552969927 547243464 /nfs/dbraw/zinc/24/34/64/547243464.db2.gz YPHCPNMQNPHEBZ-INIZCTEOSA-N 2 0 354.495 0.158 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000553278159 547265702 /nfs/dbraw/zinc/26/57/02/547265702.db2.gz JOHOYKHFICQSNW-HZPDHXFCSA-N 2 0 354.495 0.156 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@]12CCCO2 ZINC000898468791 665878755 /nfs/dbraw/zinc/87/87/55/665878755.db2.gz VAJWTVLFWVJFRH-QAPCUYQASA-N 2 0 354.495 0.156 10 0 FCAERP CN(C(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000896990078 665139547 /nfs/dbraw/zinc/13/95/47/665139547.db2.gz ZLJPTVQRELOUTG-QZTJIDSGSA-N 2 0 350.507 0.334 10 0 FCAERP COC(=O)CCN1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)[C@H](C)C1 ZINC000897307664 665166502 /nfs/dbraw/zinc/16/65/02/665166502.db2.gz UWRSOXGHMHYVDA-CQSZACIVSA-N 2 0 353.463 0.193 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925154747 665173382 /nfs/dbraw/zinc/17/33/82/665173382.db2.gz 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ZINC000923449845 667837399 /nfs/dbraw/zinc/83/73/99/667837399.db2.gz CMZNOPNRUBKLHF-QGZVFWFLSA-N 3 0 352.523 0.805 10 0 FCAERP O=c1cc(CN2CC[NH2+]CC[NH2+]CC2)nc2ccc(Br)cn12 ZINC000923466051 667837744 /nfs/dbraw/zinc/83/77/44/667837744.db2.gz HUIKTIBLYIFDLS-UHFFFAOYSA-N 2 0 366.263 0.452 10 0 FCAERP C[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000787901675 668813446 /nfs/dbraw/zinc/81/34/46/668813446.db2.gz BXCFNUZIHLWXDR-MRXNPFEDSA-N 2 0 354.495 0.206 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793704184 668943433 /nfs/dbraw/zinc/94/34/33/668943433.db2.gz XUKTYTSYVUWMJL-JKSUJKDBSA-N 2 0 354.495 0.204 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000819198558 668987207 /nfs/dbraw/zinc/98/72/07/668987207.db2.gz RZOGLWKPTDSRCE-CVEARBPZSA-N 2 0 356.511 0.488 10 0 FCAERP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819275966 668993300 /nfs/dbraw/zinc/99/33/00/668993300.db2.gz XXXOPOLXJLGXAD-HZPDHXFCSA-N 2 0 358.527 0.830 10 0 FCAERP CN1CC[NH+](C[C@H](O)CNc2ccc(OCC[NH+](C)C)c(F)c2)CC1 ZINC000819491997 669006496 /nfs/dbraw/zinc/00/64/96/669006496.db2.gz UNKPUDOMXMSIRI-MRXNPFEDSA-N 2 0 354.470 0.786 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC(F)(F)CC2)C[C@H]1C[NH+](C)C ZINC000867325823 670813207 /nfs/dbraw/zinc/81/32/07/670813207.db2.gz AVBBGQMLCQFFBE-ZIAGYGMSSA-N 2 0 360.449 0.442 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000846212753 671091008 /nfs/dbraw/zinc/09/10/08/671091008.db2.gz FPWSQQDJPWYKQV-SOUVJXGZSA-N 2 0 354.495 0.994 10 0 FCAERP C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H]1C ZINC000867426812 671117240 /nfs/dbraw/zinc/11/72/40/671117240.db2.gz GAIWCTAIEXLWMQ-QBPKDAKJSA-N 2 0 352.523 0.831 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849499840 671351960 /nfs/dbraw/zinc/35/19/60/671351960.db2.gz NPUULNXDEAUQEN-DLBZAZTESA-N 2 0 351.495 0.540 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCO1 ZINC000853683878 671554161 /nfs/dbraw/zinc/55/41/61/671554161.db2.gz XPDOVWYVTCPATE-ZACQAIPSSA-N 2 0 354.495 0.602 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000853683130 671554178 /nfs/dbraw/zinc/55/41/78/671554178.db2.gz NCJJDXWKRKPJDD-YESZJQIVSA-N 2 0 355.527 0.421 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000903483987 675932677 /nfs/dbraw/zinc/93/26/77/675932677.db2.gz NIRUDBBNQWTDBH-SJORKVTESA-N 2 0 352.523 0.724 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903548610 675942677 /nfs/dbraw/zinc/94/26/77/675942677.db2.gz JFWNALPXQMUFAZ-IUODEOHRSA-N 2 0 357.524 0.585 10 0 FCAERP C[C@H](C1CC1)N(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562627 675945268 /nfs/dbraw/zinc/94/52/68/675945268.db2.gz QZBLUHQSMCIDFY-XYPHTWIQSA-N 2 0 356.536 0.862 10 0 FCAERP O=S(=O)(CC[C@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562599 675945376 /nfs/dbraw/zinc/94/53/76/675945376.db2.gz QBUWVSCJCMFGNL-IXDOHACOSA-N 2 0 357.520 0.786 10 0 FCAERP CCn1nccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562655 675945411 /nfs/dbraw/zinc/94/54/11/675945411.db2.gz SATUPULFCFZOHM-GASCZTMLSA-N 2 0 353.492 0.492 10 0 FCAERP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861639546 671976814 /nfs/dbraw/zinc/97/68/14/671976814.db2.gz DOVTXAPSIQKBGN-YUELXQCFSA-N 2 0 353.467 0.326 10 0 FCAERP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903719572 675963581 /nfs/dbraw/zinc/96/35/81/675963581.db2.gz OPDZFAGRMOINJR-VXGBXAGGSA-N 2 0 350.385 0.279 10 0 FCAERP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903757285 675968719 /nfs/dbraw/zinc/96/87/19/675968719.db2.gz XDKICJVMJOLPTO-OAHLLOKOSA-N 2 0 354.495 0.141 10 0 FCAERP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903737421 675965525 /nfs/dbraw/zinc/96/55/25/675965525.db2.gz AFEFIFVRQDIDSP-OLZOCXBDSA-N 2 0 364.412 0.525 10 0 FCAERP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903751878 675967518 /nfs/dbraw/zinc/96/75/18/675967518.db2.gz COAIUOFMJVWJTQ-CHWSQXEVSA-N 2 0 366.428 0.915 10 0 FCAERP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903753439 675967860 /nfs/dbraw/zinc/96/78/60/675967860.db2.gz PIJFLIIORXMSBH-LPWJVIDDSA-N 2 0 362.396 0.277 10 0 FCAERP C[NH2+]CCN(C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(C)C ZINC000903816553 675976035 /nfs/dbraw/zinc/97/60/35/675976035.db2.gz VTDNGURZHDSZJU-WBVHZDCISA-N 2 0 350.507 0.918 10 0 FCAERP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903762346 675969788 /nfs/dbraw/zinc/96/97/88/675969788.db2.gz YWRPFOAYDKXILC-STQMWFEESA-N 2 0 364.412 0.714 10 0 FCAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cnn1C ZINC000903924497 675983150 /nfs/dbraw/zinc/98/31/50/675983150.db2.gz DVQKWFKSAIHBNH-TZMCWYRMSA-N 2 0 361.412 0.989 10 0 FCAERP CCOC(=O)CC1([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000903932379 675983686 /nfs/dbraw/zinc/98/36/86/675983686.db2.gz CFDWAFWDRBQKLZ-CQSZACIVSA-N 2 0 351.451 0.795 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]23COC(=O)N2CCOC3)[C@H](C)C1 ZINC000866524453 672280266 /nfs/dbraw/zinc/28/02/66/672280266.db2.gz KKZROKWLKZFCMA-SOLBZPMBSA-N 2 0 355.479 0.934 10 0 FCAERP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)C ZINC000866708489 672290166 /nfs/dbraw/zinc/29/01/66/672290166.db2.gz NXTKFEGVFXPBCT-FPCVCCKLSA-N 2 0 352.479 0.887 10 0 FCAERP C[C@@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1CN(C)CCO1 ZINC000866800013 672307917 /nfs/dbraw/zinc/30/79/17/672307917.db2.gz KWSJUECJIWDXKT-RDBSUJKOSA-N 2 0 358.483 0.277 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)[C@@H](C)C1 ZINC000867516507 672329642 /nfs/dbraw/zinc/32/96/42/672329642.db2.gz GILDXFHUKHPVEG-VVLHAWIVSA-N 2 0 350.507 0.728 10 0 FCAERP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868418525 672399866 /nfs/dbraw/zinc/39/98/66/672399866.db2.gz KEFDRWXMFLURJB-IRXDYDNUSA-N 2 0 350.507 0.920 10 0 FCAERP CCCC(=O)N1CSC[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021462 672461757 /nfs/dbraw/zinc/46/17/57/672461757.db2.gz FTVVMQRYLGRBEI-OAGGEKHMSA-N 2 0 370.563 0.886 10 0 FCAERP CN(C)c1noc(CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870019267 672461774 /nfs/dbraw/zinc/46/17/74/672461774.db2.gz BPFDLXTWUWUZKW-ZIAGYGMSSA-N 2 0 352.483 0.266 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@H]1C[NH+](C)C ZINC000870024179 672462362 /nfs/dbraw/zinc/46/23/62/672462362.db2.gz XCCSICBBXMSIFK-HUUCEWRRSA-N 2 0 359.536 0.542 10 0 FCAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000872146432 672594640 /nfs/dbraw/zinc/59/46/40/672594640.db2.gz NIBQCRNMRFOOKF-YHUYYLMFSA-N 2 0 351.447 0.439 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000872186584 672596908 /nfs/dbraw/zinc/59/69/08/672596908.db2.gz LWRVYYIYUUNFBA-YNEHKIRRSA-N 2 0 364.412 0.525 10 0 FCAERP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872192609 672600755 /nfs/dbraw/zinc/60/07/55/672600755.db2.gz YAYCDSATJMWUHU-OLZOCXBDSA-N 2 0 366.428 0.772 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)CC[C@@H]21 ZINC000872194802 672602757 /nfs/dbraw/zinc/60/27/57/672602757.db2.gz FNVBASUMPBHQAL-VOAKCMCISA-N 2 0 362.396 0.135 10 0 FCAERP C[NH+](C)CC1CCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000872196068 672603755 /nfs/dbraw/zinc/60/37/55/672603755.db2.gz UBONYVGBVVPXKE-STQMWFEESA-N 2 0 364.412 0.382 10 0 FCAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872255127 672608670 /nfs/dbraw/zinc/60/86/70/672608670.db2.gz PXXPUDOZWKABHV-BSXFFOKHSA-N 2 0 350.463 0.678 10 0 FCAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872255435 672608741 /nfs/dbraw/zinc/60/87/41/672608741.db2.gz WYVYHFQWQYJYHV-ZNMIVQPWSA-N 2 0 352.479 0.794 10 0 FCAERP CC[NH+](CC)CCSCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872303346 672611731 /nfs/dbraw/zinc/61/17/31/672611731.db2.gz GVQHPMJOGPVFJZ-ZNMIVQPWSA-N 2 0 370.519 0.455 10 0 FCAERP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875437646 672882296 /nfs/dbraw/zinc/88/22/96/672882296.db2.gz QFOYHLYSORQACM-FPCVCCKLSA-N 2 0 353.511 0.282 10 0 FCAERP C[C@H](Cc1cnn(C)c1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875644847 672901801 /nfs/dbraw/zinc/90/18/01/672901801.db2.gz JAFZHCVDBZLACY-DJIMGWMZSA-N 2 0 350.511 0.732 10 0 FCAERP CO[C@@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CCOC1 ZINC000875710629 672906311 /nfs/dbraw/zinc/90/63/11/672906311.db2.gz LSFCPUAFXXYLHZ-HZMVEIRTSA-N 2 0 356.511 0.419 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C[C@H]1C[NH+](C)C ZINC000875994920 672930215 /nfs/dbraw/zinc/93/02/15/672930215.db2.gz BEOVGSLFNTXLSQ-ZXIGKLQCSA-N 2 0 350.507 0.791 10 0 FCAERP [NH3+]C1(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000923649386 672962012 /nfs/dbraw/zinc/96/20/12/672962012.db2.gz RPTOZBIQTLIBMA-QGZVFWFLSA-N 2 0 366.531 0.651 10 0 FCAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000923655162 672999650 /nfs/dbraw/zinc/99/96/50/672999650.db2.gz OAUBVSODKAVKAK-IRXDYDNUSA-N 2 0 368.503 0.270 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CC(CC(N)=O)C1 ZINC000925073844 673775173 /nfs/dbraw/zinc/77/51/73/673775173.db2.gz BLSHBXNDDAAMTO-GPANFISMSA-N 2 0 353.511 0.698 10 0 FCAERP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925165576 673780512 /nfs/dbraw/zinc/78/05/12/673780512.db2.gz TXAPGHIYBLYWBM-PMPSAXMXSA-N 2 0 356.536 0.712 10 0 FCAERP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)CC2)cn1 ZINC000925579907 673794199 /nfs/dbraw/zinc/79/41/99/673794199.db2.gz IEODBLKDHQJDNB-LSDHHAIUSA-N 2 0 353.492 0.433 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[C@H]1C[NH3+] ZINC000926305106 673821255 /nfs/dbraw/zinc/82/12/55/673821255.db2.gz ZWDLEIHJMHQPDQ-WBVHZDCISA-N 2 0 350.507 0.764 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926347066 673825269 /nfs/dbraw/zinc/82/52/69/673825269.db2.gz LHSLTOMCPBTPNJ-BRWVUGGUSA-N 2 0 350.507 0.907 10 0 FCAERP CCO[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)C[NH+](C)C ZINC000926847941 673845610 /nfs/dbraw/zinc/84/56/10/673845610.db2.gz PDRVSRMJIGYPBP-IAGOWNOFSA-N 2 0 356.511 0.849 10 0 FCAERP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1=O ZINC000928090653 673899586 /nfs/dbraw/zinc/89/95/86/673899586.db2.gz BTXWUSHWAHVUOZ-RBSFLKMASA-N 2 0 354.520 0.093 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)C[NH+](C)C ZINC000929693878 673971978 /nfs/dbraw/zinc/97/19/78/673971978.db2.gz FZNNNRCNBJICSS-ARFHVFGLSA-N 2 0 356.511 0.306 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000929693880 673972221 /nfs/dbraw/zinc/97/22/21/673972221.db2.gz FZNNNRCNBJICSS-BZUAXINKSA-N 2 0 356.511 0.306 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)C[NH+](C)C ZINC000929793067 673977397 /nfs/dbraw/zinc/97/73/97/673977397.db2.gz OUZVBVKWFUKNOG-HZPDHXFCSA-N 2 0 356.511 0.306 10 0 FCAERP CC[NH+]1CCN([C@@H](C)CNC(=O)CN2CC[N@@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000930084600 673996772 /nfs/dbraw/zinc/99/67/72/673996772.db2.gz AHOCRWHZPHGKNH-KSZLIROESA-N 2 0 353.555 0.543 10 0 FCAERP C[C@H](O)C[C@H]1CCC[NH+]1[C@@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000930082308 673996857 /nfs/dbraw/zinc/99/68/57/673996857.db2.gz WOJGZWQXIBDJHK-KFGODFMUSA-N 2 0 355.523 0.962 10 0 FCAERP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000930144274 674000667 /nfs/dbraw/zinc/00/06/67/674000667.db2.gz DDPZXOTWKBKPDN-GOSISDBHSA-N 2 0 358.523 0.959 10 0 FCAERP C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000900438855 675681950 /nfs/dbraw/zinc/68/19/50/675681950.db2.gz MYPFQHFAPGKFCB-IBGZPJMESA-N 2 0 353.507 0.794 10 0 FCAERP CCCCNC(=O)NC(=O)CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480865658 1167937243 /nfs/dbraw/zinc/93/72/43/1167937243.db2.gz LGNNPIIJGSPTPI-ZIAGYGMSSA-N 2 0 355.483 0.001 10 0 FCAERP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000897677053 1192841218 /nfs/dbraw/zinc/84/12/18/1192841218.db2.gz GBIVFPLEYVBUBZ-MRXNPFEDSA-N 2 0 366.506 0.300 10 0 FCAERP CCN1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000897832080 1192847896 /nfs/dbraw/zinc/84/78/96/1192847896.db2.gz FVTSAKSJPAPHGW-KBAYOESNSA-N 2 0 358.486 0.834 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)[C@@H]1c1ccccc1 ZINC000842030983 1192859259 /nfs/dbraw/zinc/85/92/59/1192859259.db2.gz DINBGXZTOQCPMV-ABSDTBQOSA-N 2 0 356.470 0.903 10 0 FCAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000127011193 1179457204 /nfs/dbraw/zinc/45/72/04/1179457204.db2.gz WOEAVIYJSJPNMU-OAHLLOKOSA-N 2 0 364.494 0.620 10 0 FCAERP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001719712814 1179685040 /nfs/dbraw/zinc/68/50/40/1179685040.db2.gz OJQBRYQNOTZFJO-OWCLPIDISA-N 2 0 352.523 0.879 10 0 FCAERP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001719731113 1179820476 /nfs/dbraw/zinc/82/04/76/1179820476.db2.gz HOLIYJNDRGNOIZ-HZPDHXFCSA-N 2 0 352.523 0.881 10 0 FCAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000127558372 1179941070 /nfs/dbraw/zinc/94/10/70/1179941070.db2.gz JQTYIXOBAZQQOG-HNNXBMFYSA-N 2 0 364.494 0.574 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)C[C@@H]21 ZINC000659074477 1181987442 /nfs/dbraw/zinc/98/74/42/1181987442.db2.gz JAQZEPXQPJSXEJ-HYVNUMGLSA-N 2 0 358.442 0.449 10 0 FCAERP CCN(CC)C(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001481487063 1186145451 /nfs/dbraw/zinc/14/54/51/1186145451.db2.gz ZHKICFUOFAYCGV-BRWVUGGUSA-N 2 0 352.523 0.975 10 0 FCAERP C[N@H+](CCN1CCCC1=O)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001481489346 1186170654 /nfs/dbraw/zinc/17/06/54/1186170654.db2.gz PPXWWBUXMPLECV-BZUAXINKSA-N 2 0 359.474 0.916 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+][C@@H]3CCN(C(C)(C)C)C3=O)CC2)CC[N@@H+]1C ZINC001670784740 1186456926 /nfs/dbraw/zinc/45/69/26/1186456926.db2.gz OHXDQMYTMXAZJA-RBSFLKMASA-N 2 0 350.507 0.964 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001268157278 1186554422 /nfs/dbraw/zinc/55/44/22/1186554422.db2.gz WSDZXGOHAJQENF-QLFBSQMISA-N 2 0 364.494 0.309 10 0 FCAERP CN1CC[C@H]([NH2+]C2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)CC2)C1=O ZINC001269493845 1187852557 /nfs/dbraw/zinc/85/25/57/1187852557.db2.gz FOXLSUHHIRZBTE-SQNIBIBYSA-N 2 0 370.497 0.801 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001270210948 1188052111 /nfs/dbraw/zinc/05/21/11/1188052111.db2.gz GNBPAIPVTGWAKF-RBSFLKMASA-N 2 0 360.462 0.336 10 0 FCAERP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)n1 ZINC000262229408 1189851386 /nfs/dbraw/zinc/85/13/86/1189851386.db2.gz VFIRHNPLNXMLDA-MRXNPFEDSA-N 2 0 359.474 0.862 10 0 FCAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)Nc1cnccn1 ZINC001482530328 1190717097 /nfs/dbraw/zinc/71/70/97/1190717097.db2.gz ADQRIDSKQXYCTH-KFWWJZLASA-N 2 0 362.478 0.486 10 0 FCAERP CC(C)NC(=O)C[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001271911246 1190758131 /nfs/dbraw/zinc/75/81/31/1190758131.db2.gz CLRWITDGUSAKSR-NVXWUHKLSA-N 2 0 367.538 0.021 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCC[NH+](CCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001271965228 1190788074 /nfs/dbraw/zinc/78/80/74/1190788074.db2.gz JRPHMFYDRHFCBH-SZVBFZGTSA-N 2 0 363.506 0.246 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000550785223 1193792708 /nfs/dbraw/zinc/79/27/08/1193792708.db2.gz QGNPKJLZPLPAPG-IRXDYDNUSA-N 2 0 368.522 0.404 10 0 FCAERP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483062579 1193859289 /nfs/dbraw/zinc/85/92/89/1193859289.db2.gz PGFLWSMYPGYFDR-RWRPJIPASA-N 2 0 358.486 0.728 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000552192123 1193913552 /nfs/dbraw/zinc/91/35/52/1193913552.db2.gz FNBMRCVLNKJWJF-CQSZACIVSA-N 2 0 363.462 0.195 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000552939754 1193959850 /nfs/dbraw/zinc/95/98/50/1193959850.db2.gz WPYYLWBNXCXOOX-HOTGVXAUSA-N 2 0 368.522 0.450 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000552934736 1193961210 /nfs/dbraw/zinc/96/12/10/1193961210.db2.gz LPJJJOQSGCFANA-QGZVFWFLSA-N 2 0 366.506 0.299 10 0 FCAERP Cc1csc(NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001483128386 1194172222 /nfs/dbraw/zinc/17/22/22/1194172222.db2.gz AMWKWMBBIRXKCS-RAIGVLPGSA-N 2 0 353.492 0.825 10 0 FCAERP O=C(CC1(O)CCOCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000906472053 1195630930 /nfs/dbraw/zinc/63/09/30/1195630930.db2.gz MTRGKXQHNCAAIC-UHFFFAOYSA-N 2 0 362.474 0.642 10 0 FCAERP C[C@@]1(CNC(=O)C23CC[NH+](CC2)C3)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907981086 1195719083 /nfs/dbraw/zinc/71/90/83/1195719083.db2.gz XBSNFPACSHGTFM-SFHVURJKSA-N 2 0 360.502 0.533 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)CC1=O ZINC000912377841 1196343066 /nfs/dbraw/zinc/34/30/66/1196343066.db2.gz GCENSPYIGJNZLR-MDYRTPRTSA-N 2 0 362.518 0.920 10 0 FCAERP C[C@]1(NC(=O)[C@@H](F)C(=O)N[C@]2(C)C[NH+]3CCC2CC3)C[NH+]2CCC1CC2 ZINC000912374911 1196345252 /nfs/dbraw/zinc/34/52/52/1196345252.db2.gz RLCAXWFXIIXINP-IDHPPYADSA-N 2 0 366.481 0.526 10 0 FCAERP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000912714713 1196359846 /nfs/dbraw/zinc/35/98/46/1196359846.db2.gz DPPWKXOFPSPSTQ-WBVHZDCISA-N 2 0 367.490 0.319 10 0 FCAERP C[C@H]1[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000912724762 1196361980 /nfs/dbraw/zinc/36/19/80/1196361980.db2.gz RBMAUEIPHUQZKY-HOTGVXAUSA-N 2 0 360.502 0.626 10 0 FCAERP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[NH2+]C[C@@H]3C(=O)OC)cc2)CC1 ZINC000592962398 1196601403 /nfs/dbraw/zinc/60/14/03/1196601403.db2.gz DRRWGDUEZJVCOY-GOSISDBHSA-N 2 0 374.485 0.806 10 0 FCAERP CC1C[C@@H](C(=O)NC23CC[NH+](CC2)C3)[C@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913633078 1197095734 /nfs/dbraw/zinc/09/57/34/1197095734.db2.gz LCBQOMRXABBSNR-HZPDHXFCSA-N 2 0 360.502 0.578 10 0 FCAERP C[NH+](C)CC1(O)CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000913680392 1197106683 /nfs/dbraw/zinc/10/66/83/1197106683.db2.gz NHELRMWCANSHQC-UHFFFAOYSA-N 2 0 361.490 0.362 10 0 FCAERP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000913919198 1197162663 /nfs/dbraw/zinc/16/26/63/1197162663.db2.gz FNCNSLRVAKMTKR-RBSFLKMASA-N 2 0 368.522 0.325 10 0 FCAERP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000828717569 1197946653 /nfs/dbraw/zinc/94/66/53/1197946653.db2.gz YCFDCCCNJJWEHJ-MISYRCLQSA-N 2 0 373.497 0.706 10 0 FCAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)CC1 ZINC000789561605 1201015597 /nfs/dbraw/zinc/01/55/97/1201015597.db2.gz RTCAFZKATDNWJL-INIZCTEOSA-N 2 0 359.474 0.938 10 0 FCAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810584540 1202949253 /nfs/dbraw/zinc/94/92/53/1202949253.db2.gz DJRLZUZCXCIGQP-BEFAXECRSA-N 2 0 368.497 0.964 10 0 FCAERP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819246409 1203152600 /nfs/dbraw/zinc/15/26/00/1203152600.db2.gz AOZKTBAOEKLFHN-ZACQAIPSSA-N 2 0 370.538 0.830 10 0 FCAERP Cc1ccc(C2=NO[C@@H](C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2)cc1C ZINC000819296580 1203153632 /nfs/dbraw/zinc/15/36/32/1203153632.db2.gz ZPWOOGYEKZXWFV-RTBURBONSA-N 2 0 360.502 0.994 10 0 FCAERP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000819266215 1203154448 /nfs/dbraw/zinc/15/44/48/1203154448.db2.gz XLOFHSDZRAJNDF-IKGGRYGDSA-N 2 0 370.538 0.830 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000819360933 1203155897 /nfs/dbraw/zinc/15/58/97/1203155897.db2.gz MJFPROPGONGEER-YESZJQIVSA-N 2 0 370.538 0.878 10 0 FCAERP O=C(/C=C/C=C/C(=O)N1CC[NH+]2CCC1CC2)N1CC[NH+]2CCC1CC2 ZINC000774098410 1206425850 /nfs/dbraw/zinc/42/58/50/1206425850.db2.gz ZSVRQVGGGWLIMG-ZPUQHVIOSA-N 2 0 358.486 0.712 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001487584509 1208381864 /nfs/dbraw/zinc/38/18/64/1208381864.db2.gz WRASYZWMZOTCIR-IXDOHACOSA-N 2 0 368.522 0.260 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC(C)(C)O1 ZINC000867401938 1208462429 /nfs/dbraw/zinc/46/24/29/1208462429.db2.gz SEGBDASOQOTGEH-BZUAXINKSA-N 2 0 368.522 0.210 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3CCC[C@@H]32)C[C@H]1C[NH+](C)C ZINC000867403095 1208463793 /nfs/dbraw/zinc/46/37/93/1208463793.db2.gz NOGLRCKWXROMLS-MLHJIOFPSA-N 2 0 364.534 0.975 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3CCC[C@@H]32)C[C@H]1C[NH+](C)C ZINC000867403096 1208464003 /nfs/dbraw/zinc/46/40/03/1208464003.db2.gz NOGLRCKWXROMLS-TVFCKZIOSA-N 2 0 364.534 0.975 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C2CCC2)C[C@H]1C[NH+](C)C ZINC000867432076 1208480132 /nfs/dbraw/zinc/48/01/32/1208480132.db2.gz RRFIZNBZLATRHD-KURKYZTESA-N 2 0 364.534 0.975 10 0 FCAERP COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000776249244 1208483285 /nfs/dbraw/zinc/48/32/85/1208483285.db2.gz OHWUOYNFCFFSNT-HOTGVXAUSA-N 2 0 371.526 0.988 10 0 FCAERP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC1CC1 ZINC001488947947 1208581303 /nfs/dbraw/zinc/58/13/03/1208581303.db2.gz OGUIYMFWNDJECV-IJEWVQPXSA-N 2 0 350.507 0.870 10 0 FCAERP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001488954171 1208582866 /nfs/dbraw/zinc/58/28/66/1208582866.db2.gz FRPPLYGZDRXCMW-AITUJVMLSA-N 2 0 372.513 0.952 10 0 FCAERP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001488981328 1208597790 /nfs/dbraw/zinc/59/77/90/1208597790.db2.gz XLQIMJHCHMBCSX-BHYGNILZSA-N 2 0 351.495 0.417 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001489009252 1208604671 /nfs/dbraw/zinc/60/46/71/1208604671.db2.gz FZYRSXBIVFKURP-YYIAUSFCSA-N 2 0 368.522 0.258 10 0 FCAERP CCOCCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001489031847 1208614286 /nfs/dbraw/zinc/61/42/86/1208614286.db2.gz PEJVSJRWNQUZHI-IXDOHACOSA-N 2 0 368.522 0.450 10 0 FCAERP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@H]21 ZINC001489261010 1208700986 /nfs/dbraw/zinc/70/09/86/1208700986.db2.gz GMWMPOPEGKSLDK-YESZJQIVSA-N 2 0 350.507 0.872 10 0 FCAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001489474091 1208854499 /nfs/dbraw/zinc/85/44/99/1208854499.db2.gz HHAQTEBMYJVHLO-HZPDHXFCSA-N 2 0 350.507 0.777 10 0 FCAERP CO[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001489528480 1208883543 /nfs/dbraw/zinc/88/35/43/1208883543.db2.gz XQXCUYAKCFTTSX-HZPDHXFCSA-N 2 0 354.495 0.153 10 0 FCAERP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC[C@@H]2C)C[C@H]1OC ZINC001489545823 1208908159 /nfs/dbraw/zinc/90/81/59/1208908159.db2.gz XVYIJCNYBRUWLL-ARFHVFGLSA-N 2 0 354.495 0.155 10 0 FCAERP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1O ZINC001489607152 1208961223 /nfs/dbraw/zinc/96/12/23/1208961223.db2.gz TYRLMZRVIBYCMH-SJORKVTESA-N 2 0 368.522 0.138 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001489590048 1209010219 /nfs/dbraw/zinc/01/02/19/1209010219.db2.gz STOGFWINLOZIJF-ZACQAIPSSA-N 2 0 366.506 0.033 10 0 FCAERP C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1)CC(C)(C)C ZINC001489649850 1209036486 /nfs/dbraw/zinc/03/64/86/1209036486.db2.gz CQPUDMDTKTZHKP-IXDOHACOSA-N 2 0 364.534 0.975 10 0 FCAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001489650858 1209037326 /nfs/dbraw/zinc/03/73/26/1209037326.db2.gz OEBYXCFBGIRKRQ-BRWVUGGUSA-N 2 0 368.497 0.821 10 0 FCAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001489896012 1209139904 /nfs/dbraw/zinc/13/99/04/1209139904.db2.gz LLSCYWHPPZPEPT-ARFHVFGLSA-N 2 0 350.507 0.824 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H]1C ZINC001490094796 1209253045 /nfs/dbraw/zinc/25/30/45/1209253045.db2.gz JAXNYIMADYILFI-OIISXLGYSA-N 2 0 350.507 0.776 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001490124383 1209266813 /nfs/dbraw/zinc/26/68/13/1209266813.db2.gz XRGYVTGPIBAHSK-OIISXLGYSA-N 2 0 350.507 0.776 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001490237464 1209282763 /nfs/dbraw/zinc/28/27/63/1209282763.db2.gz ISYGCRRHZUOFRC-APWZRJJASA-N 2 0 364.534 0.977 10 0 FCAERP C[NH+](C)CCCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC001490237841 1209283660 /nfs/dbraw/zinc/28/36/60/1209283660.db2.gz MQLKGZJWBBAASP-FRQCXROJSA-N 2 0 350.507 0.729 10 0 FCAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001490423825 1209350242 /nfs/dbraw/zinc/35/02/42/1209350242.db2.gz YEUQTNUWAJQEJI-ZACQAIPSSA-N 2 0 362.518 0.635 10 0 FCAERP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000851691235 1209515676 /nfs/dbraw/zinc/51/56/76/1209515676.db2.gz TUINJYFHOLXTBQ-HXUWFJFHSA-N 2 0 362.518 0.827 10 0 FCAERP [NH3+]C[C@H]1CC(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)=NO1 ZINC000852869727 1209569914 /nfs/dbraw/zinc/56/99/14/1209569914.db2.gz FKIXQNQYMSXRGW-MRXNPFEDSA-N 2 0 364.421 0.889 10 0 FCAERP CN(CC1C[NH+](C)C1)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000853553250 1209598162 /nfs/dbraw/zinc/59/81/62/1209598162.db2.gz CMYZSRZKKAFXNB-HDICACEKSA-N 2 0 356.470 0.554 10 0 FCAERP CC[N@H+](C)Cc1cc(O[C@H]2CCN([C@H](C)C(=O)NC(=O)NC)C2)ccn1 ZINC000856593355 1209716292 /nfs/dbraw/zinc/71/62/92/1209716292.db2.gz RNSCQUFPEBMWRK-CJNGLKHVSA-N 2 0 363.462 0.831 10 0 FCAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000859352206 1209818524 /nfs/dbraw/zinc/81/85/24/1209818524.db2.gz NVAUDGHUTNKIGB-OAFZBRQQSA-N 2 0 367.490 0.439 10 0 FCAERP CC[N@H+](CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C1CC1 ZINC000861570211 1209871758 /nfs/dbraw/zinc/87/17/58/1209871758.db2.gz LPYIBRJEBDIFMA-CVEARBPZSA-N 2 0 365.478 0.437 10 0 FCAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861571715 1209871891 /nfs/dbraw/zinc/87/18/91/1209871891.db2.gz GUBQYHFAFHXLJU-IMJJTQAJSA-N 2 0 367.494 0.683 10 0 FCAERP [NH3+]C[C@H](NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C1CCCC1 ZINC000861642922 1209873313 /nfs/dbraw/zinc/87/33/13/1209873313.db2.gz KTZMEZNKAFABJA-XHSDSOJGSA-N 2 0 365.478 0.471 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000863769179 1209951263 /nfs/dbraw/zinc/95/12/63/1209951263.db2.gz AVGSZLCKISJKDR-INIZCTEOSA-N 2 0 366.506 0.287 10 0 FCAERP Cn1c2cc(C[N@@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)ccc2oc1=O ZINC000866711449 1210004108 /nfs/dbraw/zinc/00/41/08/1210004108.db2.gz LATRTLVHLFFASQ-BJJXKVORSA-N 2 0 358.398 0.498 10 0 FCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867508209 1210009998 /nfs/dbraw/zinc/00/99/98/1210009998.db2.gz ZGIJBRIJXVDMNX-DOTOQJQBSA-N 2 0 362.474 0.722 10 0 FCAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000867550587 1210012326 /nfs/dbraw/zinc/01/23/26/1210012326.db2.gz OIGZCTKGCPGFEK-KSZLIROESA-N 2 0 362.518 0.729 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)CC[C@@H]21 ZINC000867572250 1210014141 /nfs/dbraw/zinc/01/41/41/1210014141.db2.gz PNOXYMHSESQNAK-SQNIBIBYSA-N 2 0 362.518 0.729 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)C[C@H]1C[NH+](C)C ZINC000867675528 1210021518 /nfs/dbraw/zinc/02/15/18/1210021518.db2.gz AAGBDVGLGLQFMK-XMTFNYHQSA-N 2 0 362.518 0.609 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCCc2ccco2)C[C@H]1C[NH+](C)C ZINC000867678662 1210021533 /nfs/dbraw/zinc/02/15/33/1210021533.db2.gz XFCXHAVFHJVUKQ-HZPDHXFCSA-N 2 0 364.490 0.526 10 0 FCAERP CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868232417 1210044955 /nfs/dbraw/zinc/04/49/55/1210044955.db2.gz PLTIHMNUTSEUPX-IXDOHACOSA-N 2 0 362.474 0.913 10 0 FCAERP C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C[NH+]1CCN(C)CC1 ZINC000868228577 1210045370 /nfs/dbraw/zinc/04/53/70/1210045370.db2.gz GHBZZMBPGQCSGC-FHLIZLRMSA-N 2 0 373.501 0.439 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)cn2)CC1 ZINC000868250041 1210047421 /nfs/dbraw/zinc/04/74/21/1210047421.db2.gz GAXPIRQSDZXKGI-IBGZPJMESA-N 2 0 374.489 0.690 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)CC[C@@H]21 ZINC000868310033 1210051856 /nfs/dbraw/zinc/05/18/56/1210051856.db2.gz QBKWOGDAQOJFQD-IFIJOSMWSA-N 2 0 357.458 0.389 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000868343568 1210054129 /nfs/dbraw/zinc/05/41/29/1210054129.db2.gz IZRDHXFLJHUELX-ZNMIVQPWSA-N 2 0 370.494 0.109 10 0 FCAERP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868416686 1210063625 /nfs/dbraw/zinc/06/36/25/1210063625.db2.gz BAMCLYZZLZXGJI-IRXDYDNUSA-N 2 0 366.506 0.299 10 0 FCAERP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000869780410 1210094210 /nfs/dbraw/zinc/09/42/10/1210094210.db2.gz JHLCVUZVVOIGDW-FXAWDEMLSA-N 2 0 361.486 0.585 10 0 FCAERP O=C(N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000870996715 1210125078 /nfs/dbraw/zinc/12/50/78/1210125078.db2.gz FVPVXPLYHWEFJB-WWNBULGVSA-N 2 0 370.453 0.311 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)o1 ZINC000872187992 1210175164 /nfs/dbraw/zinc/17/51/64/1210175164.db2.gz NVHYFARYQTXPLV-HNAYVOBHSA-N 2 0 362.474 0.546 10 0 FCAERP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000872193696 1210177893 /nfs/dbraw/zinc/17/78/93/1210177893.db2.gz BMXBHWMLJHUDRP-FXAWDEMLSA-N 2 0 358.486 0.645 10 0 FCAERP O=C(c1ccc2c[nH+]cn2c1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872254941 1210181763 /nfs/dbraw/zinc/18/17/63/1210181763.db2.gz GLWJBKOAEAKTRN-CVEARBPZSA-N 2 0 355.398 0.732 10 0 FCAERP C[C@]([NH3+])(C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccccc1 ZINC000872254539 1210182189 /nfs/dbraw/zinc/18/21/89/1210182189.db2.gz HGSMIMHUUVHETN-JTDSTZFVSA-N 2 0 358.442 0.644 10 0 FCAERP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872253736 1210182407 /nfs/dbraw/zinc/18/24/07/1210182407.db2.gz FPUHSHSICSGGJZ-KURKYZTESA-N 2 0 370.453 0.657 10 0 FCAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000872255576 1210183385 /nfs/dbraw/zinc/18/33/85/1210183385.db2.gz ZQXURRGSFLAEMD-OWCLPIDISA-N 2 0 354.414 0.839 10 0 FCAERP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872263773 1210185012 /nfs/dbraw/zinc/18/50/12/1210185012.db2.gz FPHVLINMUBALFZ-KSZLIROESA-N 2 0 370.453 0.485 10 0 FCAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000872306789 1210189460 /nfs/dbraw/zinc/18/94/60/1210189460.db2.gz WPFQKQNZTPAHHN-NXEZDXNNSA-N 2 0 358.490 0.653 10 0 FCAERP CCNC(=O)C1(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1 ZINC000875530393 1210378047 /nfs/dbraw/zinc/37/80/47/1210378047.db2.gz OQKODPYQHJGVKW-HZPDHXFCSA-N 2 0 367.538 0.674 10 0 FCAERP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000926299550 1211527802 /nfs/dbraw/zinc/52/78/02/1211527802.db2.gz RBZPABXZTXVOQT-LJQANCHMSA-N 2 0 366.506 0.023 10 0 FCAERP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926400086 1211545898 /nfs/dbraw/zinc/54/58/98/1211545898.db2.gz XMNWGKMBNQSPIG-UZLBHIALSA-N 2 0 371.485 0.863 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CCO1 ZINC000927633097 1211578000 /nfs/dbraw/zinc/57/80/00/1211578000.db2.gz LPPQREQPTOUVCB-ZWKOTPCHSA-N 2 0 368.522 0.992 10 0 FCAERP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000927809111 1211582486 /nfs/dbraw/zinc/58/24/86/1211582486.db2.gz CINIZDIEQGJRGA-ZTFGCOKTSA-N 2 0 371.485 0.634 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000927853781 1211585524 /nfs/dbraw/zinc/58/55/24/1211585524.db2.gz RRIWHJOKHNAPJV-CQSZACIVSA-N 2 0 362.478 0.674 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)cc2)CC1 ZINC000927855364 1211586031 /nfs/dbraw/zinc/58/60/31/1211586031.db2.gz RDGQPJSGTPUADS-QGZVFWFLSA-N 2 0 373.501 0.963 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C[NH+](C)C ZINC000927867304 1211587249 /nfs/dbraw/zinc/58/72/49/1211587249.db2.gz YOQLLGXTYRGHBP-HNNXBMFYSA-N 2 0 364.446 0.190 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2cncc(C(=O)N[C@H]3CC[NH+](C)[C@H]3C)c2)CC[N@@H+]1C ZINC000928433605 1211602596 /nfs/dbraw/zinc/60/25/96/1211602596.db2.gz MVOUNWFXEWJWCJ-AZQPONJRSA-N 2 0 359.474 0.726 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000929507549 1211643077 /nfs/dbraw/zinc/64/30/77/1211643077.db2.gz SDVALTSZRAVIAQ-BZSNNMDCSA-N 2 0 373.501 0.934 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000929603050 1211649194 /nfs/dbraw/zinc/64/91/94/1211649194.db2.gz KLRMOWGUEVYKAQ-GOSISDBHSA-N 2 0 372.513 0.972 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)C[NH+](C)C ZINC000929638405 1211652121 /nfs/dbraw/zinc/65/21/21/1211652121.db2.gz JQKZKRCPNULEQA-FCEWJHQRSA-N 2 0 370.538 0.696 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)C[NH+](C)C ZINC000929701744 1211656567 /nfs/dbraw/zinc/65/65/67/1211656567.db2.gz GTSWBFSGSMTXQL-JKSUJKDBSA-N 2 0 370.538 0.696 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC23CC[NH+](C)CC3)CC1 ZINC000929946791 1211673750 /nfs/dbraw/zinc/67/37/50/1211673750.db2.gz BTXJDMVGQHBSBF-UHFFFAOYSA-N 2 0 366.506 0.300 10 0 FCAERP 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C[NH+](C[C@@H](O)C1(O)CCC1)[C@H]1CC[C@H]([N@H+](C)C[C@@H](O)C2(O)CCC2)CC1 ZINC000931737600 1211772390 /nfs/dbraw/zinc/77/23/90/1211772390.db2.gz KRBFAPBNMMMJRJ-BRSBDYLESA-N 2 0 370.534 0.713 10 0 FCAERP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000719207392 1213139680 /nfs/dbraw/zinc/13/96/80/1213139680.db2.gz VYPDMIWVMLJMEW-KRWDZBQOSA-N 2 0 357.458 0.900 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[NH+]1CCCCC1 ZINC000827319187 1216585912 /nfs/dbraw/zinc/58/59/12/1216585912.db2.gz AVFFWQUYMFBKAN-DLBZAZTESA-N 2 0 368.522 0.546 10 0 FCAERP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000900013803 1217954981 /nfs/dbraw/zinc/95/49/81/1217954981.db2.gz RIFJSUBDCQSISZ-UYAOXDASSA-N 2 0 360.502 0.376 10 0 FCAERP CN1CCN(C(=O)c2ccc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900208722 1217971329 /nfs/dbraw/zinc/97/13/29/1217971329.db2.gz CDPSZUATIZKKSJ-FXAWDEMLSA-N 2 0 374.485 0.146 10 0 FCAERP 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Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)cnn1C ZINC000903928175 1218567468 /nfs/dbraw/zinc/56/74/68/1218567468.db2.gz WYRWDQOBXUKJKI-NVXWUHKLSA-N 2 0 361.465 0.919 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N[C@@H](C)C3CC3)C2)CC[N@@H+]1C ZINC001491018922 1220071470 /nfs/dbraw/zinc/07/14/70/1220071470.db2.gz SUILTEQPWACFKT-BTYMGIQYSA-N 2 0 350.507 0.868 10 0 FCAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(=O)NCc1ccco1 ZINC001491018879 1220071550 /nfs/dbraw/zinc/07/15/50/1220071550.db2.gz SITBMRCACXZXHQ-WVCIDPQESA-N 2 0 362.474 0.861 10 0 FCAERP C[C@H](CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[NH2+]Cc1ccccn1 ZINC001491533911 1220153158 /nfs/dbraw/zinc/15/31/58/1220153158.db2.gz HNQTUHVJBWEKHF-NXHRZFHOSA-N 2 0 362.474 0.556 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC(c3ncc[nH]3)CC2)CC1 ZINC001118332934 1221762331 /nfs/dbraw/zinc/76/23/31/1221762331.db2.gz IOOUVHZSUQPPSW-UHFFFAOYSA-N 2 0 363.462 0.343 10 0 FCAERP 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C[C@H]1[C@@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000916435483 1245535010 /nfs/dbraw/zinc/53/50/10/1245535010.db2.gz JHEWGTQSHTUEIV-YOEHRIQHSA-N 2 0 361.490 0.870 10 0 FCAERP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000917951604 1245562473 /nfs/dbraw/zinc/56/24/73/1245562473.db2.gz BNMMBQDMKMRUTK-DLBZAZTESA-N 2 0 367.538 0.517 10 0 FCAERP CC[NH+]1CC[C@H]1CNC(=O)c1cc[nH]c1CC(=O)NC[C@H]1CC[N@H+]1CC ZINC000922170253 1245662934 /nfs/dbraw/zinc/66/29/34/1245662934.db2.gz WRVHMAFXERSBIF-CABCVRRESA-N 2 0 361.490 0.592 10 0 FCAERP c1cc2c(cc1CN1CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC1)OCCO2 ZINC000923320169 1245706923 /nfs/dbraw/zinc/70/69/23/1245706923.db2.gz VOWMFWSYJNWZIX-QGZVFWFLSA-N 2 0 359.470 0.954 10 0 FCAERP O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923398613 1245714871 /nfs/dbraw/zinc/71/48/71/1245714871.db2.gz MFHMPBPFAIIBKJ-JKSUJKDBSA-N 2 0 359.478 0.256 10 0 FCAERP 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[NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC001332121667 1266340137 /nfs/dbraw/zinc/34/01/37/1266340137.db2.gz SSLGZAZJBJNJLJ-OKZBNKHCSA-N 2 0 372.469 0.809 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001522156429 1266379295 /nfs/dbraw/zinc/37/92/95/1266379295.db2.gz ZNNLWHQBMOVVJJ-NCOADZHNSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+](C)CCCCC(=O)N1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001281903059 1261272313 /nfs/dbraw/zinc/27/23/13/1261272313.db2.gz HFLLXWLUQJBFBY-BBWFWOEESA-N 2 0 368.522 0.281 10 0 FCAERP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1O)[NH+](C)C ZINC001281911702 1261280081 /nfs/dbraw/zinc/28/00/81/1261280081.db2.gz UVARMTNRCRWCFE-ZACQAIPSSA-N 2 0 368.522 0.135 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)C1 ZINC001282514418 1261497911 /nfs/dbraw/zinc/49/79/11/1261497911.db2.gz NPONUSJHHGWBGX-JFIYKMOQSA-N 2 0 364.534 0.881 10 0 FCAERP 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C[NH+](C)CCSc1nc(CC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cs1 ZINC001597701891 1286356303 /nfs/dbraw/zinc/35/63/03/1286356303.db2.gz VZTUSRJKKLSMHG-GFCCVEGCSA-N 2 0 370.544 0.929 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)CC[N@@H+]1C ZINC001707067067 1286437528 /nfs/dbraw/zinc/43/75/28/1286437528.db2.gz ZFVNURHYMIAEAN-MDMSPXHWSA-N 2 0 363.506 0.459 10 0 FCAERP C[NH+]1CCC(OCC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001707118472 1286456689 /nfs/dbraw/zinc/45/66/89/1286456689.db2.gz KKIDAGZFOHZPDA-JKSUJKDBSA-N 2 0 366.506 0.204 10 0 FCAERP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1)NCC1CCC1 ZINC001707121485 1286457409 /nfs/dbraw/zinc/45/74/09/1286457409.db2.gz HXKPTZPYYJHRGF-DLBZAZTESA-N 2 0 350.507 0.873 10 0 FCAERP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001707121606 1286457489 /nfs/dbraw/zinc/45/74/89/1286457489.db2.gz HXTNAOHZKDQMRT-SOUVJXGZSA-N 2 0 367.494 0.048 10 0 FCAERP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2[NH2+]CCCO)cn1 ZINC001707127061 1286461799 /nfs/dbraw/zinc/46/17/99/1286461799.db2.gz RDDHDEVONPLHGK-RCCFBDPRSA-N 2 0 361.490 0.028 10 0 FCAERP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cnn(C)c1 ZINC001707130769 1286465547 /nfs/dbraw/zinc/46/55/47/1286465547.db2.gz XDVDDMLSCIZXCF-HYVNUMGLSA-N 2 0 361.490 0.435 10 0 FCAERP CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001707150622 1286473951 /nfs/dbraw/zinc/47/39/51/1286473951.db2.gz WVMSCDNHCSVNNX-HUUCEWRRSA-N 2 0 364.494 0.110 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C[NH2+]CCO ZINC001707150796 1286474495 /nfs/dbraw/zinc/47/44/95/1286474495.db2.gz OCUPQSBVXXDZLP-RKVPGOIHSA-N 2 0 359.486 0.644 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001707165129 1286486821 /nfs/dbraw/zinc/48/68/21/1286486821.db2.gz HXZWHZJUPNAMMK-SQNIBIBYSA-N 2 0 365.522 0.801 10 0 FCAERP CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCC[NH+](C)C ZINC001707169526 1286488754 /nfs/dbraw/zinc/48/87/54/1286488754.db2.gz YJJISPXHUOCDMD-CABCVRRESA-N 2 0 369.510 0.391 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCc2nc(C[NH2+]C[C@H](C)OC)cc(=O)[nH]2)CC[N@@H+]1C ZINC001707179422 1286491598 /nfs/dbraw/zinc/49/15/98/1286491598.db2.gz SDJQLTFPHWMUEK-AEGPPILISA-N 2 0 365.478 0.653 10 0 FCAERP CO[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001719230239 1287906203 /nfs/dbraw/zinc/90/62/03/1287906203.db2.gz MGZVHYRAZDRDEF-QBPKDAKJSA-N 2 0 368.522 0.401 10 0 FCAERP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001719470959 1288133849 /nfs/dbraw/zinc/13/38/49/1288133849.db2.gz JPFPHHBGAMGGOL-IXDOHACOSA-N 2 0 368.522 0.308 10 0 FCAERP CCOCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001724132985 1288432283 /nfs/dbraw/zinc/43/22/83/1288432283.db2.gz SANTWUOEOMKAIL-KZNAEPCWSA-N 2 0 352.523 0.582 10 0 FCAERP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1)C(=O)N(C)C ZINC001724917086 1288455196 /nfs/dbraw/zinc/45/51/96/1288455196.db2.gz TTWDMRUBAUVGRB-RRFJBIMHSA-N 2 0 354.495 0.058 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N2CCCCCC2)CC[N@@H+]1C ZINC001725693467 1288472845 /nfs/dbraw/zinc/47/28/45/1288472845.db2.gz DEFCURRVAROTSW-BRWVUGGUSA-N 2 0 368.522 0.138 10 0 FCAERP Cc1cc(C)n(CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001725695181 1288472897 /nfs/dbraw/zinc/47/28/97/1288472897.db2.gz LPGIHVRMZUYSKZ-IXDOHACOSA-N 2 0 351.495 0.249 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CCCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001731570288 1288559391 /nfs/dbraw/zinc/55/93/91/1288559391.db2.gz OZNFLHMXYQBJHJ-PRLABOORSA-N 2 0 359.536 0.778 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCc2ccc(CC[NH2+]CC(=O)N(C)C)cc2)CC[N@@H+]1C ZINC001731706072 1288562709 /nfs/dbraw/zinc/56/27/09/1288562709.db2.gz ZIGIWIOWMIQIMH-CRAIPNDOSA-N 2 0 360.502 0.863 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001732419837 1288583401 /nfs/dbraw/zinc/58/34/01/1288583401.db2.gz GMVQQBIWCOAFJF-SOUVJXGZSA-N 2 0 367.494 0.095 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]C[C@H](O)Cn3cccn3)CCC2)CC[N@@H+]1C ZINC001733715439 1288625927 /nfs/dbraw/zinc/62/59/27/1288625927.db2.gz PSKIGQPZDHUSJJ-YESZJQIVSA-N 2 0 363.506 0.603 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](CCCOC)CC3)C2)CC[N@@H+]1C ZINC001733760868 1288627503 /nfs/dbraw/zinc/62/75/03/1288627503.db2.gz XTYCCHUUPIXMKD-CEXWTWQISA-N 2 0 366.550 0.972 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001734326896 1288648147 /nfs/dbraw/zinc/64/81/47/1288648147.db2.gz LGVHWHIDPAQFBT-VHDGCEQUSA-N 2 0 367.494 0.141 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCn2c(C)csc2=O)CC[N@@H+]1C ZINC001734368181 1288651175 /nfs/dbraw/zinc/65/11/75/1288651175.db2.gz IFAPFZLULVKNJE-SOUVJXGZSA-N 2 0 370.519 0.015 10 0 FCAERP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001735898018 1289009472 /nfs/dbraw/zinc/00/94/72/1289009472.db2.gz VQBVGZHAESKEIT-BRWVUGGUSA-N 2 0 368.522 0.401 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001700753411 1289606519 /nfs/dbraw/zinc/60/65/19/1289606519.db2.gz XBWXFEJXPPPUFS-RWMBFGLXSA-N 2 0 368.507 0.643 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cccc(C(N)=O)c2)CC[N@@H+]1C ZINC001700937236 1289617608 /nfs/dbraw/zinc/61/76/08/1289617608.db2.gz MIGZADUHZZSPGR-XOKHGSTOSA-N 2 0 362.474 0.035 10 0 FCAERP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCOCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001701540357 1289658866 /nfs/dbraw/zinc/65/88/66/1289658866.db2.gz RYXAJHPWVSAJKP-BRWVUGGUSA-N 2 0 368.522 0.402 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCCOCCNC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001701566415 1289662987 /nfs/dbraw/zinc/66/29/87/1289662987.db2.gz JDFBRYJUFVTPPQ-HZPDHXFCSA-N 2 0 366.506 0.062 10 0 FCAERP CC[NH+](CC)CC(=O)N1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001739242119 1289824358 /nfs/dbraw/zinc/82/43/58/1289824358.db2.gz CIRFLIRTDHQSME-BRWVUGGUSA-N 2 0 368.522 0.402 10 0 FCAERP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)C[C@H]4CC[N@H+](C)C4)C[C@H]32)CC1 ZINC001739727374 1290398573 /nfs/dbraw/zinc/39/85/73/1290398573.db2.gz NPPSGPJCWKRKOG-BRWVUGGUSA-N 2 0 362.518 0.729 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC001739844063 1290408602 /nfs/dbraw/zinc/40/86/02/1290408602.db2.gz DSTKHFZPFJAGDW-MDZRGWNJSA-N 2 0 362.518 0.777 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001740172570 1290505682 /nfs/dbraw/zinc/50/56/82/1290505682.db2.gz PNFOMCCRAMRVGY-QBPKDAKJSA-N 2 0 352.523 0.878 10 0 FCAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001628862012 1290558830 /nfs/dbraw/zinc/55/88/30/1290558830.db2.gz RBUUDHLLZHVUFW-RCCFBDPRSA-N 2 0 352.523 0.630 10 0 FCAERP 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Cc1cc(NC(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)n(C)n1 ZINC001656342100 1291511887 /nfs/dbraw/zinc/51/18/87/1291511887.db2.gz VKSQBZUCHPVOIM-LSDHHAIUSA-N 2 0 364.494 0.493 10 0 FCAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001656369037 1291516956 /nfs/dbraw/zinc/51/69/56/1291516956.db2.gz DTRQOLFGMSGNKY-YESZJQIVSA-N 2 0 350.507 0.729 10 0 FCAERP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cnn(C)c1 ZINC001656404676 1291520268 /nfs/dbraw/zinc/52/02/68/1291520268.db2.gz MCMJDNOMZFOYML-OKZBNKHCSA-N 2 0 361.490 0.292 10 0 FCAERP CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001656840386 1291565977 /nfs/dbraw/zinc/56/59/77/1291565977.db2.gz YCJJSPXMKSGKJB-IKGGRYGDSA-N 2 0 350.507 0.729 10 0 FCAERP Cc1cc(NC(=O)C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001662629872 1291729019 /nfs/dbraw/zinc/72/90/19/1291729019.db2.gz AIKUAQKBZCADAH-RBSFLKMASA-N 2 0 363.462 0.700 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc3nonc3c2)CC[N@@H+]1C ZINC001667827767 1291944208 /nfs/dbraw/zinc/94/42/08/1291944208.db2.gz VJGPAKDRZOTQTN-JKIFEVAISA-N 2 0 361.446 0.520 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001668065359 1291954824 /nfs/dbraw/zinc/95/48/24/1291954824.db2.gz KWJSUISTHCGWON-SOUVJXGZSA-N 2 0 352.479 0.350 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(CC[NH2+][C@H]2CCNC2=O)Cc2ccccc2)CC[N@@H+]1C ZINC001672388360 1292078894 /nfs/dbraw/zinc/07/88/94/1292078894.db2.gz GIVCSBISQIQISG-NXHRZFHOSA-N 2 0 358.486 0.834 10 0 FCAERP CCCCNC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001674933229 1292159334 /nfs/dbraw/zinc/15/93/34/1292159334.db2.gz WEFIRSWMHCDDLT-RBSFLKMASA-N 2 0 369.510 0.389 10 0 FCAERP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001685088492 1292424610 /nfs/dbraw/zinc/42/46/10/1292424610.db2.gz RHKFSGNMZWHLDZ-KURKYZTESA-N 2 0 364.534 0.977 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001685535853 1292550013 /nfs/dbraw/zinc/55/00/13/1292550013.db2.gz FGPCTIHHLSDFHP-APWZRJJASA-N 2 0 350.507 0.731 10 0 FCAERP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001685567087 1292559877 /nfs/dbraw/zinc/55/98/77/1292559877.db2.gz KDGFCILIZMNXQP-HNAYVOBHSA-N 2 0 352.523 0.975 10 0 FCAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C[C@H]1C ZINC001685783608 1292633288 /nfs/dbraw/zinc/63/32/88/1292633288.db2.gz MYMYGDNPDCJRSV-BRWVUGGUSA-N 2 0 352.523 0.881 10 0 FCAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)CC1 ZINC001686084213 1292760191 /nfs/dbraw/zinc/76/01/91/1292760191.db2.gz WWGUEIYCMCHEKS-IKGGRYGDSA-N 2 0 362.518 0.918 10 0 FCAERP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001686248337 1292853918 /nfs/dbraw/zinc/85/39/18/1292853918.db2.gz PKZRKACIDMRZQA-QCODTGAPSA-N 2 0 359.474 0.723 10 0 FCAERP C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1C[NH+](C)CCN1C ZINC001123724648 848629985 /nfs/dbraw/zinc/62/99/85/848629985.db2.gz YBVRPKWOXVFWQH-UAGQMJEPSA-N 2 0 353.511 0.173 10 0 FCAERP C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@H]1C[NH+](C)CCN1C ZINC001123724650 848630121 /nfs/dbraw/zinc/63/01/21/848630121.db2.gz YBVRPKWOXVFWQH-USXIJHARSA-N 2 0 353.511 0.173 10 0 FCAERP Nc1nnc(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC001136462434 849223333 /nfs/dbraw/zinc/22/33/33/849223333.db2.gz ISYWVIMIJYKNTO-UHFFFAOYSA-N 2 0 361.475 0.386 10 0 FCAERP CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1csc(SCC[NH+](C)C)n1 ZINC001136761162 849240758 /nfs/dbraw/zinc/24/07/58/849240758.db2.gz DFTJOAQKRWKTQE-AWEZNQCLSA-N 2 0 371.576 0.701 10 0 FCAERP COCC[N@H+](CCc1cn(CC(=O)OC)nn1)CC1CC[NH+](C)CC1 ZINC001196782484 853012624 /nfs/dbraw/zinc/01/26/24/853012624.db2.gz RNXCXMIPADZUNH-UHFFFAOYSA-N 2 0 353.467 0.284 10 0 FCAERP COC[C@H](O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001263906727 859234136 /nfs/dbraw/zinc/23/41/36/859234136.db2.gz WGIVDSMORDXVOX-GVDBMIGSSA-N 2 0 353.507 0.744 10 0 FCAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001263918293 859241527 /nfs/dbraw/zinc/24/15/27/859241527.db2.gz XYWIUBTWLOCYKN-HRCADAONSA-N 2 0 359.536 0.637 10 0 FCAERP CCO[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001263973706 859262975 /nfs/dbraw/zinc/26/29/75/859262975.db2.gz DCSOKKSDRFCANO-BZUAXINKSA-N 2 0 354.495 0.060 10 0 FCAERP C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001263989984 859269801 /nfs/dbraw/zinc/26/98/01/859269801.db2.gz RCHGEFFWWBZEOB-HYVNUMGLSA-N 2 0 350.507 0.633 10 0 FCAERP C[C@H](C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C)CS(C)(=O)=O ZINC001264000364 859275386 /nfs/dbraw/zinc/27/53/86/859275386.db2.gz NSWWQJNFFPYBDH-OAGGEKHMSA-N 2 0 361.552 0.836 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC(C)C)C2)CC[N@@H+]1C ZINC001264421687 859352368 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SISFXOTYXWEHSG-BFYDXBDKSA-N 2 0 356.511 0.114 10 0 FCAERP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)[NH+](C)C ZINC001281797545 863750866 /nfs/dbraw/zinc/75/08/66/863750866.db2.gz SBPJXTMMKFZVOG-OAGGEKHMSA-N 2 0 352.523 0.878 10 0 FCAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001282138825 864079857 /nfs/dbraw/zinc/07/98/57/864079857.db2.gz XEAUKHMLOUIEOQ-GVDBMIGSSA-N 2 0 350.507 0.825 10 0 FCAERP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1)[NH+](C)C ZINC001282298623 864175369 /nfs/dbraw/zinc/17/53/69/864175369.db2.gz OXFPQALKRNEREU-IXDOHACOSA-N 2 0 352.523 0.974 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001282507908 864312407 /nfs/dbraw/zinc/31/24/07/864312407.db2.gz WALHVXNLYNVHRX-HZPDHXFCSA-N 2 0 352.523 0.881 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)CC[N@@H+]1C ZINC001282781806 864440685 /nfs/dbraw/zinc/44/06/85/864440685.db2.gz UPOJCVZJPYDOIV-HHARLNAUSA-N 2 0 350.507 0.917 10 0 FCAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C[NH+](C)C)CC1 ZINC001282788731 864442416 /nfs/dbraw/zinc/44/24/16/864442416.db2.gz JEASJRKFGSIYOJ-OAGGEKHMSA-N 2 0 350.507 0.918 10 0 FCAERP CCCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001282861106 864477463 /nfs/dbraw/zinc/47/74/63/864477463.db2.gz ZGJYNBUBRRGWMD-SMLCLMEVSA-N 2 0 350.507 0.537 10 0 FCAERP CC(C)[C@@H](C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)[NH+](C)C ZINC001290958804 865571763 /nfs/dbraw/zinc/57/17/63/865571763.db2.gz HQXGRAPIMSPTCJ-NUJGCVRESA-N 2 0 352.523 0.879 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001352845109 867273526 /nfs/dbraw/zinc/27/35/26/867273526.db2.gz KRMUVIDNEAFOAL-OWCLPIDISA-N 2 0 354.495 0.012 10 0 FCAERP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001316759577 867458762 /nfs/dbraw/zinc/45/87/62/867458762.db2.gz VEUZSXSTPMQCGQ-IKGGRYGDSA-N 2 0 350.507 0.777 10 0 FCAERP COCCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317108192 867520665 /nfs/dbraw/zinc/52/06/65/867520665.db2.gz AELCWWHMFQBNEJ-DGXTUMSLSA-N 2 0 354.495 0.105 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001317323721 867529802 /nfs/dbraw/zinc/52/98/02/867529802.db2.gz XNJSBVOTKJUMOS-YESZJQIVSA-N 2 0 350.507 0.777 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NCc2ccco2)CC[N@@H+]1C ZINC001321522550 868503637 /nfs/dbraw/zinc/50/36/37/868503637.db2.gz MYIKCUQOFSARBN-VNQPRFMTSA-N 2 0 350.463 0.720 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001326559474 870382417 /nfs/dbraw/zinc/38/24/17/870382417.db2.gz AKDGLBFLKRUQGZ-OAHLLOKOSA-N 2 0 354.495 0.014 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001343979109 870693479 /nfs/dbraw/zinc/69/34/79/870693479.db2.gz ZGEBZNBFKAGHRK-BRWVUGGUSA-N 2 0 350.507 0.872 10 0 FCAERP CCC[NH+]1CCC(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CC1 ZINC001345679815 871457020 /nfs/dbraw/zinc/45/70/20/871457020.db2.gz DMFLHRHQHPSBNW-FUHWJXTLSA-N 2 0 354.495 0.386 10 0 FCAERP CC[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001328656877 871565671 /nfs/dbraw/zinc/56/56/71/871565671.db2.gz JZYODCDYDOILMZ-AWEZNQCLSA-N 2 0 350.467 0.231 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC001329919778 872362951 /nfs/dbraw/zinc/36/29/51/872362951.db2.gz LHSBRYKNQSOODB-UHFFFAOYSA-N 2 0 351.451 0.547 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)C1 ZINC001347790995 872495056 /nfs/dbraw/zinc/49/50/56/872495056.db2.gz YUANBNVVKMIIAZ-VQHPVUNQSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCCS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC001330417304 872625420 /nfs/dbraw/zinc/62/54/20/872625420.db2.gz GIZDMHHLMJLIPA-BZUAXINKSA-N 2 0 374.551 0.192 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001331853098 873275039 /nfs/dbraw/zinc/27/50/39/873275039.db2.gz PCIYSRUYDRGZEY-MRXNPFEDSA-N 2 0 354.495 0.014 10 0 FCAERP CN(C)Cc1csc(CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC001332361964 873477440 /nfs/dbraw/zinc/47/74/40/873477440.db2.gz RDRFBLRDYBTFPF-OAHLLOKOSA-N 2 0 367.519 0.945 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@]2(CC2(F)F)C1 ZINC001332646404 873597273 /nfs/dbraw/zinc/59/72/73/873597273.db2.gz USHMZVKHASOAIE-INIZCTEOSA-N 2 0 360.449 0.586 10 0 FCAERP O[C@H]1COCCN(Cc2cc(Cl)cc(CN3CCOC[C@H](O)C3)c2)C1 ZINC000295552667 214304345 /nfs/dbraw/zinc/30/43/45/214304345.db2.gz KLTRGZZQMCUKBF-QZTJIDSGSA-N 2 0 370.877 0.726 10 0 FCAERP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)CN1CCOCC1 ZINC000412087422 529832551 /nfs/dbraw/zinc/83/25/51/529832551.db2.gz GSWAHPAAHXTCNO-UHFFFAOYSA-N 2 0 352.523 0.772 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)C[NH+](C)C ZINC000930742981 674054367 /nfs/dbraw/zinc/05/43/67/674054367.db2.gz JFYMORLBQNEYDE-GJZGRUSLSA-N 2 0 356.511 0.306 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000930756305 674056157 /nfs/dbraw/zinc/05/61/57/674056157.db2.gz TVFNXAUSNYDDFX-GDBMZVCRSA-N 2 0 354.495 0.202 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000930756306 674056180 /nfs/dbraw/zinc/05/61/80/674056180.db2.gz TVFNXAUSNYDDFX-ZBFHGGJFSA-N 2 0 354.495 0.202 10 0 FCAERP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC2(CC[NH2+]C2)CC1 ZINC000333671674 215308356 /nfs/dbraw/zinc/30/83/56/215308356.db2.gz NFECXAWJXTVAFS-ZDUSSCGKSA-N 2 0 363.428 0.608 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1)C[NH+](C)C ZINC000931132696 674095337 /nfs/dbraw/zinc/09/53/37/674095337.db2.gz CSLXWBGASIKYKF-SWKXRBFHSA-N 2 0 356.511 0.448 10 0 FCAERP C[C@@H](NC(=O)[C@H]1COCCN1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237442817 209351910 /nfs/dbraw/zinc/35/19/10/209351910.db2.gz HJWZPRXUPXYXDR-CZUORRHYSA-N 2 0 350.438 0.743 10 0 FCAERP C[NH+]1CCN([C@H]2CCCCN(S(=O)(=O)CC[NH+]3CCCC3)C2)CC1 ZINC000192821838 209305936 /nfs/dbraw/zinc/30/59/36/209305936.db2.gz WXBDJYCVCDZJOK-KRWDZBQOSA-N 2 0 358.552 0.514 10 0 FCAERP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276282640 212204025 /nfs/dbraw/zinc/20/40/25/212204025.db2.gz FSCWFSXZIPSNOV-QRWLVFNGSA-N 2 0 374.485 0.078 10 0 FCAERP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000415257780 245370621 /nfs/dbraw/zinc/37/06/21/245370621.db2.gz QTCGPKKTTHRIJA-QGZVFWFLSA-N 2 0 362.474 0.698 10 0 FCAERP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000415260119 245371530 /nfs/dbraw/zinc/37/15/30/245371530.db2.gz WFTSTXMJXVSRLR-INIZCTEOSA-N 2 0 362.474 0.698 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000415772385 245489168 /nfs/dbraw/zinc/48/91/68/245489168.db2.gz TYBNFMMQTMYSFG-RHSMWYFYSA-N 2 0 360.458 0.776 10 0 FCAERP C[N@H+](CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCC[C@H]1O ZINC000375749022 217307278 /nfs/dbraw/zinc/30/72/78/217307278.db2.gz AYHYJNHGQPNUCO-GUDVDZBRSA-N 2 0 361.486 0.849 10 0 FCAERP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000419156997 246021921 /nfs/dbraw/zinc/02/19/21/246021921.db2.gz UKZVSZCPCSWXQD-WBVHZDCISA-N 2 0 352.523 0.975 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419136100 246012062 /nfs/dbraw/zinc/01/20/62/246012062.db2.gz OINHVPGTXVIKIZ-BPQIPLTHSA-N 2 0 358.486 0.881 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419212791 246056681 /nfs/dbraw/zinc/05/66/81/246056681.db2.gz VFTPTWXSAOMYDC-KBAYOESNSA-N 2 0 358.486 0.881 10 0 FCAERP CC1=CC[N@H+](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000419221667 246060798 /nfs/dbraw/zinc/06/07/98/246060798.db2.gz JYAYLKBMOUGIHV-FUHWJXTLSA-N 2 0 374.460 0.847 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419196059 246047167 /nfs/dbraw/zinc/04/71/67/246047167.db2.gz ANCWEVSQISONCU-YOEHRIQHSA-N 2 0 362.474 0.357 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000419205033 246052403 /nfs/dbraw/zinc/05/24/03/246052403.db2.gz IOUKLYJAGYILIN-GOSISDBHSA-N 2 0 358.486 0.978 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419341087 246104600 /nfs/dbraw/zinc/10/46/00/246104600.db2.gz XRHLYZALNVKORS-PBHICJAKSA-N 2 0 359.474 0.276 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419529569 246192727 /nfs/dbraw/zinc/19/27/27/246192727.db2.gz CYQQHTHKWJPQKJ-KRWDZBQOSA-N 2 0 362.474 0.201 10 0 FCAERP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000419536365 246194709 /nfs/dbraw/zinc/19/47/09/246194709.db2.gz MAOKGYQQQRZIJW-INIZCTEOSA-N 2 0 354.495 0.062 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419539421 246198433 /nfs/dbraw/zinc/19/84/33/246198433.db2.gz PPTZEHIFXROMMC-DLBZAZTESA-N 2 0 366.506 0.204 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419665754 246238213 /nfs/dbraw/zinc/23/82/13/246238213.db2.gz OZNOOXWKHNZHCA-YOEHRIQHSA-N 2 0 359.474 0.528 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419696518 246254488 /nfs/dbraw/zinc/25/44/88/246254488.db2.gz VJBXOFUHMNIJNI-HUUCEWRRSA-N 2 0 368.547 0.578 10 0 FCAERP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419737943 246277804 /nfs/dbraw/zinc/27/78/04/246277804.db2.gz UIWBDSZODTZEDO-GOSISDBHSA-N 2 0 373.501 0.811 10 0 FCAERP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCC[NH2+]Cc3cccnc3)CC[C@@H]21 ZINC000419844704 246318410 /nfs/dbraw/zinc/31/84/10/246318410.db2.gz CQHOXNMKYSRSQC-ROUUACIJSA-N 2 0 373.501 0.620 10 0 FCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419844723 246318698 /nfs/dbraw/zinc/31/86/98/246318698.db2.gz CSMVUOYPUDMKBX-QGZVFWFLSA-N 2 0 361.490 0.478 10 0 FCAERP CCN1C[C@H](C)N(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C[C@H]1C ZINC000419851711 246322088 /nfs/dbraw/zinc/32/20/88/246322088.db2.gz PAQOOFCLTURKEM-CVEARBPZSA-N 2 0 361.490 0.619 10 0 FCAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000419852421 246322516 /nfs/dbraw/zinc/32/25/16/246322516.db2.gz QQIGGNVRYHXAKQ-ROUUACIJSA-N 2 0 373.501 0.620 10 0 FCAERP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419890123 246353834 /nfs/dbraw/zinc/35/38/34/246353834.db2.gz MSDZCWVEMUNETI-NVXWUHKLSA-N 2 0 350.507 0.825 10 0 FCAERP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000420011723 246416086 /nfs/dbraw/zinc/41/60/86/246416086.db2.gz AARFUHVALIMPQW-SJORKVTESA-N 2 0 350.507 0.955 10 0 FCAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000931692341 674131585 /nfs/dbraw/zinc/13/15/85/674131585.db2.gz LICRPGTUIVSLSN-ZYGGUILKSA-N 2 0 350.507 0.728 10 0 FCAERP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000422796585 246922414 /nfs/dbraw/zinc/92/24/14/246922414.db2.gz YOGPLHSWOBTHRE-IRXDYDNUSA-N 2 0 352.523 0.820 10 0 FCAERP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423414693 247021725 /nfs/dbraw/zinc/02/17/25/247021725.db2.gz NLUBYJLVLLXSOG-SJORKVTESA-N 2 0 350.507 0.777 10 0 FCAERP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423414691 247022427 /nfs/dbraw/zinc/02/24/27/247022427.db2.gz NLUBYJLVLLXSOG-IAGOWNOFSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@@]1(C)C[NH3+] ZINC000423548473 247048510 /nfs/dbraw/zinc/04/85/10/247048510.db2.gz DFABBUOBRJUHHW-RNKNFESXSA-N 2 0 362.518 0.905 10 0 FCAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423605626 247072844 /nfs/dbraw/zinc/07/28/44/247072844.db2.gz HGRIONFFLUDCCQ-CVEARBPZSA-N 2 0 364.515 0.849 10 0 FCAERP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000423736420 247131990 /nfs/dbraw/zinc/13/19/90/247131990.db2.gz FNNSJLIFAMYRBJ-QGZVFWFLSA-N 2 0 350.507 0.921 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)[C@H](C)C1 ZINC000425384632 247329972 /nfs/dbraw/zinc/32/99/72/247329972.db2.gz KBHHPSIWYRDEFR-LTIDMASMSA-N 2 0 350.507 0.728 10 0 FCAERP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441177703 248240036 /nfs/dbraw/zinc/24/00/36/248240036.db2.gz BMEJTWXKEGSKDU-QYZOEREBSA-N 2 0 364.534 0.913 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000473956225 250260178 /nfs/dbraw/zinc/26/01/78/250260178.db2.gz LWVRGXZADYRWBP-MRXNPFEDSA-N 2 0 356.511 0.632 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000481878734 250369809 /nfs/dbraw/zinc/36/98/09/250369809.db2.gz ICCUHYLYLOARIP-YESZJQIVSA-N 2 0 368.522 0.450 10 0 FCAERP C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1=O ZINC000073728277 208049340 /nfs/dbraw/zinc/04/93/40/208049340.db2.gz FOTVFQNYTMDISL-INIZCTEOSA-N 2 0 364.465 0.914 10 0 FCAERP Cn1c2[nH]c(CN3CCC(C[NH+]4CCCC4)CC3)nc2c(=O)n(C)c1=O ZINC000103143663 208172218 /nfs/dbraw/zinc/17/22/18/208172218.db2.gz XKHDGSHOPPOHJS-UHFFFAOYSA-N 2 0 360.462 0.268 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CN(C)CCO2)[C@H](C)C1 ZINC000115704309 208323670 /nfs/dbraw/zinc/32/36/70/208323670.db2.gz SOBRMKWOQNRGAT-ZACQAIPSSA-N 2 0 356.511 0.753 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194960960 229271080 /nfs/dbraw/zinc/27/10/80/229271080.db2.gz KEBREDMHMCPIPR-BBWFWOEESA-N 2 0 356.511 0.848 10 0 FCAERP C[C@@H]1CC[C@@H](C(N)=O)C[NH+]1CC1(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)COC1 ZINC000247184099 229279761 /nfs/dbraw/zinc/27/97/61/229279761.db2.gz JLJZLTCDNRCMMJ-FPCVCCKLSA-N 2 0 366.506 0.175 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(CCCO)CC2)C1 ZINC000363716546 488878189 /nfs/dbraw/zinc/87/81/89/488878189.db2.gz YANMVGNOVVYFCZ-GOSISDBHSA-N 2 0 355.523 0.944 10 0 FCAERP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000364519526 488967861 /nfs/dbraw/zinc/96/78/61/488967861.db2.gz LOQOSHFAZUQBBI-WBVHZDCISA-N 2 0 350.507 0.907 10 0 FCAERP CN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000562816605 491191691 /nfs/dbraw/zinc/19/16/91/491191691.db2.gz ZSTPQBZIUTVWEI-KBPBESRZSA-N 2 0 363.428 0.701 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000074367036 488391964 /nfs/dbraw/zinc/39/19/64/488391964.db2.gz ITXPZZUQHNWEMF-CVEARBPZSA-N 2 0 353.511 0.665 10 0 FCAERP CC[C@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000184807952 488397491 /nfs/dbraw/zinc/39/74/91/488397491.db2.gz FKVJPYJOQGVVMC-AEFFLSMTSA-N 2 0 369.554 0.499 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000192799396 488424739 /nfs/dbraw/zinc/42/47/39/488424739.db2.gz VVDTVJQMRBZJIF-DLBZAZTESA-N 2 0 356.511 0.489 10 0 FCAERP CC[C@@H]1CN(CCN2CC[NH+](C[C@H](C)O)[C@@H](CC)C2)CC[N@@H+]1C[C@H](C)O ZINC000246650513 488474663 /nfs/dbraw/zinc/47/46/63/488474663.db2.gz BNAKOYBRIZAAKQ-LWYYNNOASA-N 2 0 370.582 0.540 10 0 FCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000246739203 488475327 /nfs/dbraw/zinc/47/53/27/488475327.db2.gz YGWVVACCIFIFSI-DOTOQJQBSA-N 2 0 361.552 0.683 10 0 FCAERP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCOCC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000247084519 488481920 /nfs/dbraw/zinc/48/19/20/488481920.db2.gz PKTPLOIBMVUXMH-FZKCQIBNSA-N 2 0 354.495 0.175 10 0 FCAERP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C)C1)c(=O)n2C ZINC000247350683 488484964 /nfs/dbraw/zinc/48/49/64/488484964.db2.gz YCHPXVWVKWHJLF-LSDHHAIUSA-N 2 0 374.489 0.240 10 0 FCAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[C@@H]3C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)C[C@H]12 ZINC000248638309 488499885 /nfs/dbraw/zinc/49/98/85/488499885.db2.gz QTYUOHFMEPXJKS-BGKHJCNDSA-N 2 0 374.529 0.794 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN[C@H](C)c2nnc3ccccn32)C1 ZINC000249355898 488509218 /nfs/dbraw/zinc/50/92/18/488509218.db2.gz YMXISNUSORQBEA-CVEARBPZSA-N 2 0 374.489 0.853 10 0 FCAERP CC[NH+]1CCC(NC(=O)CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000109752903 488523861 /nfs/dbraw/zinc/52/38/61/488523861.db2.gz LDAKZMKOMWXRFA-IBGZPJMESA-N 2 0 365.566 0.689 10 0 FCAERP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000261618369 488527516 /nfs/dbraw/zinc/52/75/16/488527516.db2.gz FUGFUNLTBPERBS-UKRRQHHQSA-N 2 0 350.438 0.790 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000111812440 488531187 /nfs/dbraw/zinc/53/11/87/488531187.db2.gz LSQPFPIDYLVCBK-MSOLQXFVSA-N 2 0 369.554 0.668 10 0 FCAERP CC[NH+]1CCN([C@H](C)CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112403743 488534272 /nfs/dbraw/zinc/53/42/72/488534272.db2.gz FEXKWEIKRYORCU-QGZVFWFLSA-N 2 0 374.533 0.589 10 0 FCAERP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)C1 ZINC000261908208 488541335 /nfs/dbraw/zinc/54/13/35/488541335.db2.gz SQFOOJOBSUJFNE-HNNXBMFYSA-N 2 0 360.458 0.830 10 0 FCAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)C1 ZINC000262389315 488567871 /nfs/dbraw/zinc/56/78/71/488567871.db2.gz MNRRKGQCWRDTQN-OKZBNKHCSA-N 2 0 352.523 0.628 10 0 FCAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)C1 ZINC000262389314 488567896 /nfs/dbraw/zinc/56/78/96/488567896.db2.gz MNRRKGQCWRDTQN-BZSNNMDCSA-N 2 0 352.523 0.628 10 0 FCAERP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000262403401 488568655 /nfs/dbraw/zinc/56/86/55/488568655.db2.gz AJZGJSGXNJXLMF-RCBQFDQVSA-N 2 0 366.487 0.783 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)CC1 ZINC000569961454 491206600 /nfs/dbraw/zinc/20/66/00/491206600.db2.gz BIAWNPGPEIYOIF-AWEZNQCLSA-N 2 0 352.870 0.123 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000123183033 488583422 /nfs/dbraw/zinc/58/34/22/488583422.db2.gz SHEOMPXMYJICCX-RCCFBDPRSA-N 3 0 354.539 0.874 10 0 FCAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000263738779 488623145 /nfs/dbraw/zinc/62/31/45/488623145.db2.gz NYAJPPDOIVGRAM-SFHVURJKSA-N 3 0 360.506 0.987 10 0 FCAERP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)COCC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000155400085 488755104 /nfs/dbraw/zinc/75/51/04/488755104.db2.gz JCHZWHGFACKJJC-GEEKYZPCSA-N 2 0 354.495 0.105 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000171208433 488821259 /nfs/dbraw/zinc/82/12/59/488821259.db2.gz PIPOAFDATHDXGC-QGZVFWFLSA-N 2 0 356.511 0.633 10 0 FCAERP C(CC[N@@H+]1CC[C@H](N2CCOCC2)C1)C[NH+]1CC[C@H](N2CCOCC2)C1 ZINC000173989371 488846873 /nfs/dbraw/zinc/84/68/73/488846873.db2.gz RFMBJBFJSZZTKC-PMACEKPBSA-N 2 0 366.550 0.580 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175805548 488855767 /nfs/dbraw/zinc/85/57/67/488855767.db2.gz LKCPTGSCVYSQIQ-KRWDZBQOSA-N 2 0 354.495 0.463 10 0 FCAERP Cc1nccc(N2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)n1 ZINC000289223584 489050791 /nfs/dbraw/zinc/05/07/91/489050791.db2.gz ZJZZNOUNRWIIAU-XJKSGUPXSA-N 2 0 372.473 0.033 10 0 FCAERP COC[C@H](C)OC[C@H](O)C[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000365711372 489102986 /nfs/dbraw/zinc/10/29/86/489102986.db2.gz KRGXZYPWAFAWDV-DFQSSKMNSA-N 2 0 366.502 0.968 10 0 FCAERP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000366499945 489189307 /nfs/dbraw/zinc/18/93/07/489189307.db2.gz ZKOUUXDHKXPPAN-IBGZPJMESA-N 2 0 358.490 0.543 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000282999759 489205110 /nfs/dbraw/zinc/20/51/10/489205110.db2.gz AMOGXWBYGUONIC-QRVBRYPASA-N 2 0 372.513 0.971 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000570551248 491249274 /nfs/dbraw/zinc/24/92/74/491249274.db2.gz CAMNTKDZPMJROX-LADRWXRNSA-N 2 0 350.507 0.825 10 0 FCAERP C[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000423086804 489491884 /nfs/dbraw/zinc/49/18/84/489491884.db2.gz OEOAQECDQBHDKZ-RDJZCZTQSA-N 2 0 350.507 0.764 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000423210979 489503603 /nfs/dbraw/zinc/50/36/03/489503603.db2.gz KJMXHDHPHPSXAQ-APWZRJJASA-N 2 0 366.506 0.158 10 0 FCAERP C[C@H](CCNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+]1CCCCC1 ZINC000563627423 491259497 /nfs/dbraw/zinc/25/94/97/491259497.db2.gz AYOXQRZLQAFPQR-APWZRJJASA-N 2 0 350.507 0.969 10 0 FCAERP CC[C@@H]1C[N@H+](CC)CCN1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000451726008 489519441 /nfs/dbraw/zinc/51/94/41/489519441.db2.gz QBMNZUSXOTWPKH-MSOLQXFVSA-N 2 0 354.539 0.876 10 0 FCAERP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])cc2)CC1 ZINC000415782647 489552885 /nfs/dbraw/zinc/55/28/85/489552885.db2.gz KXHMYFRAZNNPBP-LSDHHAIUSA-N 2 0 361.490 0.615 10 0 FCAERP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cccc21 ZINC000415818864 489555225 /nfs/dbraw/zinc/55/52/25/489555225.db2.gz WHFZXFCJBYBNRD-WQVCFCJDSA-N 2 0 358.442 0.831 10 0 FCAERP CC1=CC[N@H+](CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427305688 489601947 /nfs/dbraw/zinc/60/19/47/489601947.db2.gz WMOLIUXDWVSWDB-UHFFFAOYSA-N 2 0 374.489 0.857 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000555719717 491267482 /nfs/dbraw/zinc/26/74/82/491267482.db2.gz IGUPBXPCSMTQRZ-SFHVURJKSA-N 2 0 360.502 0.612 10 0 FCAERP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000428174556 489640734 /nfs/dbraw/zinc/64/07/34/489640734.db2.gz FKIZDBZTEWXQLD-UHFFFAOYSA-N 2 0 357.458 0.494 10 0 FCAERP COc1cccc([C@H]2[C@@H](NC(=O)N(CC[NH3+])CCO)CC[N@@H+]2C2CC2)c1 ZINC000417985752 489674076 /nfs/dbraw/zinc/67/40/76/489674076.db2.gz HMZNVIWJJDKSRI-ROUUACIJSA-N 2 0 362.474 0.936 10 0 FCAERP CC1=CC[N@H+](CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000418020651 489675943 /nfs/dbraw/zinc/67/59/43/489675943.db2.gz GTPHGZVHUGIIDX-INIZCTEOSA-N 2 0 351.495 0.668 10 0 FCAERP CC[NH+](CC)CCOCCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418020768 489676083 /nfs/dbraw/zinc/67/60/83/489676083.db2.gz NVICDBIYVUGYTD-UHFFFAOYSA-N 2 0 369.554 0.860 10 0 FCAERP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C[NH+]1CCN(C)CC1 ZINC000458434417 489683776 /nfs/dbraw/zinc/68/37/76/489683776.db2.gz JMCPGHVJFCTAHV-IRXDYDNUSA-N 2 0 355.527 0.016 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000458542990 489688083 /nfs/dbraw/zinc/68/80/83/489688083.db2.gz CFBKGFRWAVJUSX-KSZLIROESA-N 2 0 368.522 0.510 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418298964 489689572 /nfs/dbraw/zinc/68/95/72/489689572.db2.gz MWBNHPUTQYLGNM-UHFFFAOYSA-N 2 0 362.478 0.217 10 0 FCAERP [NH3+][C@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000418450716 489699538 /nfs/dbraw/zinc/69/95/38/489699538.db2.gz LWQDXENSHLQLAO-KGLIPLIRSA-N 2 0 359.396 0.822 10 0 FCAERP C[C@@]1(CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000418810993 489733965 /nfs/dbraw/zinc/73/39/65/489733965.db2.gz HRUOSUWIWRSUGW-PXNSSMCTSA-N 2 0 358.486 0.965 10 0 FCAERP CCN1CC[C@@H](NC(=O)C(=O)N(C)CC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418866115 489764827 /nfs/dbraw/zinc/76/48/27/489764827.db2.gz MOVTWTANGHJJHG-UKRRQHHQSA-N 2 0 372.391 0.773 10 0 FCAERP CCN1CC[C@H](NC(=O)C(=O)NCCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418865954 489764844 /nfs/dbraw/zinc/76/48/44/489764844.db2.gz MADGSXJRRHMWPJ-DZGCQCFKSA-N 2 0 372.391 0.820 10 0 FCAERP C[C@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000418877946 489770821 /nfs/dbraw/zinc/77/08/21/489770821.db2.gz QCWKLTPGKBODOJ-JQHSSLGASA-N 2 0 360.502 0.780 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418879565 489771950 /nfs/dbraw/zinc/77/19/50/489771950.db2.gz TXPIZJSSKSKAHZ-GOSISDBHSA-N 2 0 358.486 0.702 10 0 FCAERP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccco1 ZINC000418933529 489795102 /nfs/dbraw/zinc/79/51/02/489795102.db2.gz AYAINWHQRXYVFY-RBSFLKMASA-N 2 0 350.463 0.893 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1F ZINC000418957084 489804533 /nfs/dbraw/zinc/80/45/33/489804533.db2.gz DGOKCPDRMVRODM-IYBDPMFKSA-N 2 0 362.449 0.856 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1F ZINC000418963670 489805759 /nfs/dbraw/zinc/80/57/59/489805759.db2.gz MIMWJUMFLGIQBE-IBGZPJMESA-N 2 0 362.449 0.716 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)[C@H](C)C1 ZINC000419035162 489827243 /nfs/dbraw/zinc/82/72/43/489827243.db2.gz FLQSPWJTIVKKAJ-WCXIOVBPSA-N 2 0 368.522 0.354 10 0 FCAERP COc1ccccc1[C@H]1CNCCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419099694 489855383 /nfs/dbraw/zinc/85/53/83/489855383.db2.gz IHVYDBNAQBDOJC-MRXNPFEDSA-N 2 0 360.458 0.379 10 0 FCAERP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419990613 489874845 /nfs/dbraw/zinc/87/48/45/489874845.db2.gz CQOXCKWOCOVHFE-OTWHNJEPSA-N 2 0 370.497 0.835 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)o1 ZINC000420001187 489877487 /nfs/dbraw/zinc/87/74/87/489877487.db2.gz POBIFFJNKNLREU-OAHLLOKOSA-N 2 0 350.463 0.737 10 0 FCAERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420007676 489879756 /nfs/dbraw/zinc/87/97/56/489879756.db2.gz ZVWUGGIBTDZCNK-QGZVFWFLSA-N 2 0 364.465 0.974 10 0 FCAERP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000420084702 489906354 /nfs/dbraw/zinc/90/63/54/489906354.db2.gz WJWDJGPBWSHHRF-UHFFFAOYSA-N 2 0 363.462 0.373 10 0 FCAERP C[C@@]1(CNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCC[NH2+]C1 ZINC000420103073 489912764 /nfs/dbraw/zinc/91/27/64/489912764.db2.gz NWIWFRYHSFUKIE-QFBILLFUSA-N 2 0 350.507 0.969 10 0 FCAERP CN(C(=O)C(=O)NCC1=CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420141070 489927877 /nfs/dbraw/zinc/92/78/77/489927877.db2.gz RFDWSSCSKYZZSE-SFHVURJKSA-N 2 0 356.470 0.755 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000377683344 489941231 /nfs/dbraw/zinc/94/12/31/489941231.db2.gz XYPYIBSXVKQWKT-FUHWJXTLSA-N 2 0 367.538 0.565 10 0 FCAERP CN(C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420190854 489946835 /nfs/dbraw/zinc/94/68/35/489946835.db2.gz PQQDNPFCHDZKDZ-KURKYZTESA-N 2 0 358.486 0.963 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000420202225 489950479 /nfs/dbraw/zinc/95/04/79/489950479.db2.gz OUSRFTPWODTYKN-ITNKIWFMSA-N 2 0 362.518 0.857 10 0 FCAERP COC(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c(Cl)c1 ZINC000420448061 489978196 /nfs/dbraw/zinc/97/81/96/489978196.db2.gz DMMCWSCRDOVWOP-UHFFFAOYSA-N 2 0 363.867 0.815 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cn2)CC1 ZINC000571221964 491293978 /nfs/dbraw/zinc/29/39/78/491293978.db2.gz NZOGLNHYMMLOJT-CALCHBBNSA-N 2 0 358.490 0.584 10 0 FCAERP C[NH+]1CCN(c2cccc(C(=O)NCCC[NH+]3CCC(O)CC3)n2)CC1 ZINC000437703126 490027173 /nfs/dbraw/zinc/02/71/73/490027173.db2.gz 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367.538 0.071 10 0 FCAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000578138232 491670834 /nfs/dbraw/zinc/67/08/34/491670834.db2.gz RIHNZFAJKKRCCE-MRXNPFEDSA-N 2 0 368.522 0.404 10 0 FCAERP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000578315926 491674530 /nfs/dbraw/zinc/67/45/30/491674530.db2.gz GJUJRILEVHDCSA-INIZCTEOSA-N 2 0 365.474 0.771 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCC[NH+]2CCOC)[C@H](C)C1 ZINC000578388256 491676086 /nfs/dbraw/zinc/67/60/86/491676086.db2.gz UXZBZCZBPYIJFC-IKGGRYGDSA-N 2 0 368.522 0.402 10 0 FCAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000578878090 491686355 /nfs/dbraw/zinc/68/63/55/491686355.db2.gz FVZMIHAFPZBFIV-XHSDSOJGSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@@H+]1C ZINC000579572587 491700784 /nfs/dbraw/zinc/70/07/84/491700784.db2.gz DDNGHFZRMFJBNU-DFWHQEHRSA-N 2 0 362.518 0.855 10 0 FCAERP 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ZINC000581603204 491779482 /nfs/dbraw/zinc/77/94/82/491779482.db2.gz OLPUICMUMLXNAT-FGTMMUONSA-N 2 0 352.523 0.366 10 0 FCAERP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)c(=O)n2C ZINC000581947142 491791366 /nfs/dbraw/zinc/79/13/66/491791366.db2.gz OVUYKOTYSNCRIM-HUUCEWRRSA-N 2 0 374.489 0.145 10 0 FCAERP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000668500385 493365436 /nfs/dbraw/zinc/36/54/36/493365436.db2.gz XYIGHJKQFYEZIU-IAGOWNOFSA-N 2 0 368.522 0.404 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000583089990 491837749 /nfs/dbraw/zinc/83/77/49/491837749.db2.gz VTGAGWALIPJUEP-CVEARBPZSA-N 2 0 356.511 0.306 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000583090188 491837844 /nfs/dbraw/zinc/83/78/44/491837844.db2.gz FWIURPIDZFRIJT-WBVHZDCISA-N 2 0 366.506 0.156 10 0 FCAERP Cc1ncc2n1C[C@H](C(=O)N[C@@H]1CCCN(Cc3nccn3C)C1=O)CC2 ZINC000583268291 491841365 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CCN(C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000612772623 491949635 /nfs/dbraw/zinc/94/96/35/491949635.db2.gz GMUMQANOUVDRBK-QGZVFWFLSA-N 2 0 350.507 0.777 10 0 FCAERP CC[NH2+]CCCNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612911853 491957916 /nfs/dbraw/zinc/95/79/16/491957916.db2.gz QKIIWDAVHKDBRW-HNNXBMFYSA-N 2 0 363.510 0.708 10 0 FCAERP CSC1(CNC(=O)NCCN(C)CCC[NH+](C)C)CC[NH+](C)CC1 ZINC000596605127 491992674 /nfs/dbraw/zinc/99/26/74/491992674.db2.gz OKUFLGCPMBMZGG-UHFFFAOYSA-N 2 0 359.584 0.997 10 0 FCAERP COC(=O)[C@H]1C[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000596961644 492006991 /nfs/dbraw/zinc/00/69/91/492006991.db2.gz WJQQSBZMWNYAST-ORIFFVPMSA-N 2 0 364.490 0.890 10 0 FCAERP C[NH+](C)C[C@]1(O)CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000614067748 492012739 /nfs/dbraw/zinc/01/27/39/492012739.db2.gz ILJZTBOLWUKTRL-LJQANCHMSA-N 2 0 353.507 0.937 10 0 FCAERP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000614506689 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GARQMLIJJRWKPS-ZIAGYGMSSA-N 2 0 353.463 0.587 10 0 FCAERP C[NH+]1CCN(c2cccc(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)n2)CC1 ZINC000620011731 492286062 /nfs/dbraw/zinc/28/60/62/492286062.db2.gz QBMIITBYBRQGAD-KRWDZBQOSA-N 2 0 373.501 0.817 10 0 FCAERP C[NH+](C)[C@@H]1C[C@H](CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000654369634 492295534 /nfs/dbraw/zinc/29/55/34/492295534.db2.gz PVZCMSNWYBRKAL-CALCHBBNSA-N 2 0 360.506 0.973 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000627462810 492305911 /nfs/dbraw/zinc/30/59/11/492305911.db2.gz DTGZDHJZDTVDNB-QGZVFWFLSA-N 2 0 362.474 0.072 10 0 FCAERP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647558865 492306909 /nfs/dbraw/zinc/30/69/09/492306909.db2.gz DJRWJSCIPGUTLD-UHFFFAOYSA-N 2 0 366.506 0.110 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647561326 492308682 /nfs/dbraw/zinc/30/86/82/492308682.db2.gz KNHUBBXGTFADQB-CVEARBPZSA-N 2 0 366.506 0.108 10 0 FCAERP 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C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654531737 492316226 /nfs/dbraw/zinc/31/62/26/492316226.db2.gz GAQZHGQGMIJZGL-QXCFHYIPSA-N 2 0 358.486 0.967 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000627500630 492325151 /nfs/dbraw/zinc/32/51/51/492325151.db2.gz HMTWCRYKOCGJRS-GVDBMIGSSA-N 2 0 350.507 0.968 10 0 FCAERP C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654656258 492334925 /nfs/dbraw/zinc/33/49/25/492334925.db2.gz OVTMBDXPKYYABM-UUAJXVIYSA-N 2 0 356.511 0.581 10 0 FCAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000642898382 492398544 /nfs/dbraw/zinc/39/85/44/492398544.db2.gz QJAGPOLCYUUUBZ-MAUKXSAKSA-N 2 0 358.486 0.963 10 0 FCAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000642914480 492403103 /nfs/dbraw/zinc/40/31/03/492403103.db2.gz SNUOOAQDGFHHBD-AEFFLSMTSA-N 2 0 358.486 0.978 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000655163376 492408887 /nfs/dbraw/zinc/40/88/87/492408887.db2.gz HDBAJPXBIZLUKB-SFHVURJKSA-N 2 0 358.486 0.741 10 0 FCAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000643012091 492413552 /nfs/dbraw/zinc/41/35/52/492413552.db2.gz MBODZXCFXQZLCV-AEFFLSMTSA-N 2 0 374.485 0.214 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621837143 492420456 /nfs/dbraw/zinc/42/04/56/492420456.db2.gz AAGVNCMZGJTBGQ-UWVAXJGDSA-N 2 0 358.486 0.615 10 0 FCAERP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000643486951 492478970 /nfs/dbraw/zinc/47/89/70/492478970.db2.gz KZCHZBZASRNHDE-QGZVFWFLSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000643504754 492483561 /nfs/dbraw/zinc/48/35/61/492483561.db2.gz MAAPWWVVQTUDSZ-XHSDSOJGSA-N 2 0 352.479 0.038 10 0 FCAERP C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000655921628 492489513 /nfs/dbraw/zinc/48/95/13/492489513.db2.gz MPCGFBRDSLLWDK-JHJVBQTASA-N 2 0 351.417 0.543 10 0 FCAERP CN1CCC([NH+]2CCC(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)CC1 ZINC000655924245 492489662 /nfs/dbraw/zinc/48/96/62/492489662.db2.gz IWBJBGGJWLECHG-ZDUSSCGKSA-N 2 0 351.417 0.734 10 0 FCAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)CC2 ZINC000643526302 492491239 /nfs/dbraw/zinc/49/12/39/492491239.db2.gz YIETWMWPPAQSSW-HZMVEIRTSA-N 2 0 350.507 0.903 10 0 FCAERP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024188 492520170 /nfs/dbraw/zinc/52/01/70/492520170.db2.gz NVEXYEOQSFYLPV-KOWPAETKSA-N 2 0 366.506 0.105 10 0 FCAERP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656064324 492527324 /nfs/dbraw/zinc/52/73/24/492527324.db2.gz SSVGFPUDBHINNW-DLBZAZTESA-N 2 0 368.522 0.090 10 0 FCAERP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656081701 492542693 /nfs/dbraw/zinc/54/26/93/492542693.db2.gz ZKYUWEFQSJZPCR-ZACQAIPSSA-N 2 0 370.538 0.791 10 0 FCAERP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCN(c2ncccn2)CC1 ZINC000649415204 492552598 /nfs/dbraw/zinc/55/25/98/492552598.db2.gz PFYGTMXTABYWQG-MSOLQXFVSA-N 2 0 372.517 0.979 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc1F ZINC000656317718 492588952 /nfs/dbraw/zinc/58/89/52/492588952.db2.gz ZTTJBZBFVGRASM-FZNQNYSPSA-N 2 0 364.465 0.960 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC1COCCOC1 ZINC000644133695 492652313 /nfs/dbraw/zinc/65/23/13/492652313.db2.gz JTLRVVDLSUMQLD-UHFFFAOYSA-N 2 0 363.462 0.308 10 0 FCAERP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629590513 492657811 /nfs/dbraw/zinc/65/78/11/492657811.db2.gz JNBXIWAGSHJUFC-YOEHRIQHSA-N 2 0 366.506 0.202 10 0 FCAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650736780 492664610 /nfs/dbraw/zinc/66/46/10/492664610.db2.gz YALLBZSEXAYHQB-ZACQAIPSSA-N 2 0 367.538 0.768 10 0 FCAERP CN(CCOCC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000629787246 492672115 /nfs/dbraw/zinc/67/21/15/492672115.db2.gz ALMGZVQMJJCRBK-QGZVFWFLSA-N 2 0 362.474 0.153 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000629794832 492674958 /nfs/dbraw/zinc/67/49/58/492674958.db2.gz DXYBBXGHWBGJIW-INIZCTEOSA-N 2 0 354.495 0.158 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCC[C@@H]([NH+]3CCCC3)CC1)C2 ZINC000629797482 492676495 /nfs/dbraw/zinc/67/64/95/492676495.db2.gz CTXHAEHUZNSBIJ-AHRSYUTCSA-N 2 0 362.518 0.921 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000629816289 492686920 /nfs/dbraw/zinc/68/69/20/492686920.db2.gz DWMQWNXVZDNXNE-MRXNPFEDSA-N 2 0 366.506 0.287 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000657070894 492709569 /nfs/dbraw/zinc/70/95/69/492709569.db2.gz BHCSARQIIZBDSR-GJZGRUSLSA-N 2 0 373.523 0.395 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000625406165 492775836 /nfs/dbraw/zinc/77/58/36/492775836.db2.gz QILNUPIUHWDYNW-DOTOQJQBSA-N 2 0 350.507 0.920 10 0 FCAERP CN(Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000644646138 492796394 /nfs/dbraw/zinc/79/63/94/492796394.db2.gz PMXKDWGZJICIOW-QZTJIDSGSA-N 2 0 369.531 0.883 10 0 FCAERP C[N@@H+]1C[C@@H]2CCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)[C@@H]2C1 ZINC000644736394 492804521 /nfs/dbraw/zinc/80/45/21/492804521.db2.gz ZGULKCLGLDYFID-ZWKOTPCHSA-N 2 0 364.534 0.774 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000651681036 492805951 /nfs/dbraw/zinc/80/59/51/492805951.db2.gz VPFIKSRANFLSLQ-UHFFFAOYSA-N 2 0 360.458 0.706 10 0 FCAERP COCCN1CCN(S(=O)(=O)CCCN2CCOCC2)C(C)(C)C1 ZINC000651900865 492844691 /nfs/dbraw/zinc/84/46/91/492844691.db2.gz MQQNHWGNZUBWJY-UHFFFAOYSA-N 2 0 363.524 0.081 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000631910106 492877061 /nfs/dbraw/zinc/87/70/61/492877061.db2.gz XKRDSTQRLLCGHB-KBPBESRZSA-N 2 0 359.517 0.793 10 0 FCAERP C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631913794 492878893 /nfs/dbraw/zinc/87/88/93/492878893.db2.gz IDMVFBGAHCFCMT-MRXNPFEDSA-N 2 0 359.467 0.508 10 0 FCAERP CC[NH+](CC)Cc1cccc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000631913076 492878981 /nfs/dbraw/zinc/87/89/81/492878981.db2.gz DGXYYVPFPWUQGM-QGZVFWFLSA-N 2 0 355.504 0.936 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631919663 492884679 /nfs/dbraw/zinc/88/46/79/492884679.db2.gz KRGZXKGZGJIXNI-GOSISDBHSA-N 2 0 372.579 0.904 10 0 FCAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000645272582 492886701 /nfs/dbraw/zinc/88/67/01/492886701.db2.gz JGKOOESDYIVYAL-HOTGVXAUSA-N 2 0 353.511 0.726 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C[C@H]1C[NH3+] ZINC000652158759 492888918 /nfs/dbraw/zinc/88/89/18/492888918.db2.gz JLYXSMFLTIHSRA-BRWVUGGUSA-N 2 0 355.527 0.265 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000652224750 492896623 /nfs/dbraw/zinc/89/66/23/492896623.db2.gz HFGCRCODSUKBRU-MRXNPFEDSA-N 2 0 355.527 0.993 10 0 FCAERP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658451730 492898921 /nfs/dbraw/zinc/89/89/21/492898921.db2.gz AWASHBJEZMVVED-QGZVFWFLSA-N 2 0 368.522 0.090 10 0 FCAERP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000658464968 492905361 /nfs/dbraw/zinc/90/53/61/492905361.db2.gz RCGSIQURGYFQCR-MRXNPFEDSA-N 2 0 354.495 0.110 10 0 FCAERP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000652335804 492911668 /nfs/dbraw/zinc/91/16/68/492911668.db2.gz HRSCUFAGGZARMG-UHFFFAOYSA-N 2 0 352.504 0.464 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@]3(CO)C2)C1 ZINC000626011720 492914296 /nfs/dbraw/zinc/91/42/96/492914296.db2.gz WASHUHBIGYWDEC-YQVWRLOYSA-N 2 0 353.507 0.554 10 0 FCAERP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000658519918 492924894 /nfs/dbraw/zinc/92/48/94/492924894.db2.gz BOZMEOFHLYGLFQ-QGZVFWFLSA-N 2 0 368.522 0.498 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC000658529654 492931073 /nfs/dbraw/zinc/93/10/73/492931073.db2.gz FSQJYEUPUJQFJX-HOTGVXAUSA-N 2 0 354.495 0.108 10 0 FCAERP Cc1cn2c(n1)C[C@H](C(=O)N1CC[C@@H](OCCN3CCOCC3)C1)CC2 ZINC000626105938 492933625 /nfs/dbraw/zinc/93/36/25/492933625.db2.gz VJQIKXDUPYSGDZ-IAGOWNOFSA-N 2 0 362.474 0.704 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658567507 492957810 /nfs/dbraw/zinc/95/78/10/492957810.db2.gz FSDNRWYHKLALNW-GOSISDBHSA-N 2 0 372.513 0.987 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000658618342 492981589 /nfs/dbraw/zinc/98/15/89/492981589.db2.gz XVQYQYPLPWIWNU-HZPDHXFCSA-N 2 0 350.507 0.920 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C[NH3+] ZINC000652693103 492992218 /nfs/dbraw/zinc/99/22/18/492992218.db2.gz MGABEIOBELUIFP-KFWWJZLASA-N 2 0 354.495 0.045 10 0 FCAERP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)CC2)C1 ZINC000646002846 492999327 /nfs/dbraw/zinc/99/93/27/492999327.db2.gz HFKGFMLUCCRTGR-TVKQPGBESA-N 2 0 364.534 0.757 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000652720504 493002924 /nfs/dbraw/zinc/00/29/24/493002924.db2.gz GHWUUZZKLAGXQI-QZTJIDSGSA-N 2 0 358.486 0.965 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+](CC)CC)CC2)C[C@H]1C[NH3+] ZINC000652726903 493005518 /nfs/dbraw/zinc/00/55/18/493005518.db2.gz UEHCBGCROSWOAL-IAGOWNOFSA-N 2 0 368.522 0.389 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1=O ZINC000652734310 493011415 /nfs/dbraw/zinc/01/14/15/493011415.db2.gz FDTPJPKSXDSSNM-UHFFFAOYSA-N 2 0 358.486 0.667 10 0 FCAERP CN(C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000626818934 493025570 /nfs/dbraw/zinc/02/55/70/493025570.db2.gz PIQXQQIXJGXNPP-MRXNPFEDSA-N 2 0 358.442 0.802 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000658751982 493041408 /nfs/dbraw/zinc/04/14/08/493041408.db2.gz SVHYGBDEXGVYLE-IRXDYDNUSA-N 2 0 368.522 0.497 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000646414138 493046485 /nfs/dbraw/zinc/04/64/85/493046485.db2.gz PMMUTRFWARORCK-ZDUSSCGKSA-N 2 0 351.455 0.028 10 0 FCAERP C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NC[C@H]3COCC[NH2+]3)cccc21 ZINC000626882423 493049131 /nfs/dbraw/zinc/04/91/31/493049131.db2.gz KZXRDPZBSJSDNK-WFASDCNBSA-N 2 0 362.430 0.115 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C[NH2+]1 ZINC000626888823 493051616 /nfs/dbraw/zinc/05/16/16/493051616.db2.gz PTOPUUPCIWOUHU-CRAIPNDOSA-N 2 0 373.501 0.629 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1=O ZINC000653037452 493063055 /nfs/dbraw/zinc/06/30/55/493063055.db2.gz CLFCECXKJJXJGU-MRXNPFEDSA-N 2 0 368.547 0.436 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)NCCOCCC[NH3+])cn2)CC1 ZINC000626932044 493066709 /nfs/dbraw/zinc/06/67/09/493066709.db2.gz HIWSAWZZJIECEM-UHFFFAOYSA-N 2 0 364.494 0.388 10 0 FCAERP CCN(C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658823890 493070409 /nfs/dbraw/zinc/07/04/09/493070409.db2.gz FXUUOTJUSXIJGK-QGZVFWFLSA-N 2 0 367.538 0.025 10 0 FCAERP [NH3+]CCCOCCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000626996005 493076860 /nfs/dbraw/zinc/07/68/60/493076860.db2.gz GVBZAXSCLSWHQW-UHFFFAOYSA-N 2 0 356.511 0.934 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000632723645 493077556 /nfs/dbraw/zinc/07/75/56/493077556.db2.gz FICJQRPQCIDXMA-GOSISDBHSA-N 2 0 350.507 0.873 10 0 FCAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627038856 493084125 /nfs/dbraw/zinc/08/41/25/493084125.db2.gz UCWVWZLLWZQFEP-HNNXBMFYSA-N 2 0 354.499 0.068 10 0 FCAERP C[NH2+]CCOCCNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000627171566 493100008 /nfs/dbraw/zinc/10/00/08/493100008.db2.gz YZNRJYRLXCFGLE-QGZVFWFLSA-N 2 0 350.463 0.288 10 0 FCAERP O=C(NC[C@H]1COCC[NH2+]1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000627191382 493105337 /nfs/dbraw/zinc/10/53/37/493105337.db2.gz QPUCJCKGPFQZMV-KRWDZBQOSA-N 2 0 373.501 0.629 10 0 FCAERP Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000633027214 493105339 /nfs/dbraw/zinc/10/53/39/493105339.db2.gz WISRXUDNPJLMHX-HUUCEWRRSA-N 2 0 362.474 0.927 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633085899 493118633 /nfs/dbraw/zinc/11/86/33/493118633.db2.gz GZXZBGIKKFSPEQ-HZPDHXFCSA-N 2 0 354.495 0.286 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633085897 493118790 /nfs/dbraw/zinc/11/87/90/493118790.db2.gz GZXZBGIKKFSPEQ-CVEARBPZSA-N 2 0 354.495 0.286 10 0 FCAERP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)n2)CC1 ZINC000627262238 493123283 /nfs/dbraw/zinc/12/32/83/493123283.db2.gz JZQGBHRXIGNYBH-JKSUJKDBSA-N 2 0 359.474 0.115 10 0 FCAERP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCCCC[C@@H]([NH3+])C3)C2)CC1 ZINC000633098228 493123867 /nfs/dbraw/zinc/12/38/67/493123867.db2.gz CBEXIEPAZGFMLQ-IAGOWNOFSA-N 2 0 350.507 0.907 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)CCCCC(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000646919855 493126408 /nfs/dbraw/zinc/12/64/08/493126408.db2.gz MDZJCLXDMZCGHI-XMTFNYHQSA-N 2 0 362.518 0.872 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)c1cccs1 ZINC000627290033 493136021 /nfs/dbraw/zinc/13/60/21/493136021.db2.gz BLLPBSKMQCBIHW-LBPRGKRZSA-N 2 0 354.476 0.091 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627293619 493137865 /nfs/dbraw/zinc/13/78/65/493137865.db2.gz YGEVJPZOHFPMEA-QGZVFWFLSA-N 2 0 362.474 0.072 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)[C@H]3CC[C@H]3C(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000633181303 493138407 /nfs/dbraw/zinc/13/84/07/493138407.db2.gz OBBAPIGXYMWUFJ-GQLSEVEHSA-N 2 0 360.502 0.338 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000627296306 493139204 /nfs/dbraw/zinc/13/92/04/493139204.db2.gz DCYSGKXPANCCSC-FGTMMUONSA-N 2 0 374.485 0.126 10 0 FCAERP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297077 493139264 /nfs/dbraw/zinc/13/92/64/493139264.db2.gz BCDMYEIUCBSERC-GJZGRUSLSA-N 2 0 366.506 0.380 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000653443020 493140689 /nfs/dbraw/zinc/14/06/89/493140689.db2.gz VPIJXHVEXAFFCR-QGZVFWFLSA-N 2 0 368.522 0.260 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[NH2+]1 ZINC000627305038 493143130 /nfs/dbraw/zinc/14/31/30/493143130.db2.gz MHRNVHOIJBAWSD-WFASDCNBSA-N 2 0 350.438 0.760 10 0 FCAERP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000627305461 493143219 /nfs/dbraw/zinc/14/32/19/493143219.db2.gz YHJWSPUSGKYDEW-QGZVFWFLSA-N 2 0 364.465 0.960 10 0 FCAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627311669 493145726 /nfs/dbraw/zinc/14/57/26/493145726.db2.gz FAEJBVOLGNBUIZ-RDJZCZTQSA-N 2 0 374.485 0.562 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000627311798 493145754 /nfs/dbraw/zinc/14/57/54/493145754.db2.gz HUWSFUYAJACPCU-NVXWUHKLSA-N 2 0 362.474 0.290 10 0 FCAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627311499 493145890 /nfs/dbraw/zinc/14/58/90/493145890.db2.gz ABOWCUPMFNWAPX-QLFBSQMISA-N 2 0 354.495 0.093 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000627314312 493147479 /nfs/dbraw/zinc/14/74/79/493147479.db2.gz ZMRLHWGQYIFYNI-YHUYYLMFSA-N 2 0 354.495 0.106 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659088880 493148190 /nfs/dbraw/zinc/14/81/90/493148190.db2.gz SVKAMAMMPTZIKT-XOKHGSTOSA-N 2 0 360.458 0.742 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000659094931 493149918 /nfs/dbraw/zinc/14/99/18/493149918.db2.gz SSUKEAVWZGZJDH-UHFFFAOYSA-N 2 0 361.490 0.271 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659100251 493152890 /nfs/dbraw/zinc/15/28/90/493152890.db2.gz KHRFCFOBJLDAPZ-UHFFFAOYSA-N 2 0 360.462 0.428 10 0 FCAERP C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)cccc21 ZINC000659105007 493155214 /nfs/dbraw/zinc/15/52/14/493155214.db2.gz YMYRTVKGFNYEJI-IHBYNMNLSA-N 2 0 358.442 0.879 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1F ZINC000659110015 493157827 /nfs/dbraw/zinc/15/78/27/493157827.db2.gz SRPSOKNHCYWRIJ-TZMCWYRMSA-N 2 0 370.400 0.602 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000627334495 493158947 /nfs/dbraw/zinc/15/89/47/493158947.db2.gz SJHOUNIDLPMXPS-INIZCTEOSA-N 2 0 354.495 0.252 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627336561 493159555 /nfs/dbraw/zinc/15/95/55/493159555.db2.gz DGDAOOZSBRNERL-KRWDZBQOSA-N 2 0 374.485 0.391 10 0 FCAERP CC[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000627357634 493174260 /nfs/dbraw/zinc/17/42/60/493174260.db2.gz LLEZLOSFQVXWGV-BMGDILEWSA-N 2 0 358.486 0.806 10 0 FCAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647171848 493174758 /nfs/dbraw/zinc/17/47/58/493174758.db2.gz YSASQSCXCNYDDL-ZDUSSCGKSA-N 2 0 358.483 0.589 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627366942 493181047 /nfs/dbraw/zinc/18/10/47/493181047.db2.gz GLIKZPJDPSCHGR-DOTOQJQBSA-N 2 0 374.485 0.247 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](OC(F)F)C1 ZINC000659318708 493189677 /nfs/dbraw/zinc/18/96/77/493189677.db2.gz UXBFVACPOJIUNL-ZDUSSCGKSA-N 2 0 364.437 0.168 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000627393773 493199805 /nfs/dbraw/zinc/19/98/05/493199805.db2.gz JZIDUOWIOHDVDL-QGTPRVQTSA-N 2 0 358.486 0.880 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C[NH2+]1 ZINC000627425832 493214230 /nfs/dbraw/zinc/21/42/30/493214230.db2.gz AOURFLPFGAQXDD-YJBOKZPZSA-N 2 0 373.501 0.667 10 0 FCAERP CC[NH+]1CCN(c2ccccc2NC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000666683587 493216465 /nfs/dbraw/zinc/21/64/65/493216465.db2.gz FXIWOVLWSYISQR-UHFFFAOYSA-N 2 0 374.489 0.382 10 0 FCAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000659586604 493217028 /nfs/dbraw/zinc/21/70/28/493217028.db2.gz HRJNSCLYZDQWNM-SQNIBIBYSA-N 2 0 362.474 0.900 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000659627611 493222767 /nfs/dbraw/zinc/22/27/67/493222767.db2.gz LDYZZLTUNGVBGK-KRWDZBQOSA-N 2 0 365.522 0.857 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000659673414 493244841 /nfs/dbraw/zinc/24/48/41/493244841.db2.gz DPIIXPVKZUBAOX-TXKKKEFDSA-N 2 0 362.499 0.951 10 0 FCAERP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000666979089 493245281 /nfs/dbraw/zinc/24/52/81/493245281.db2.gz LPJGIYXWIIVEMS-VYDXJSESSA-N 2 0 354.495 0.336 10 0 FCAERP COc1cccc([C@@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[NH+](C)C)c1 ZINC000659674684 493245368 /nfs/dbraw/zinc/24/53/68/493245368.db2.gz OBEVBWVPVMNOPE-ZHTDJMBKSA-N 2 0 360.458 0.282 10 0 FCAERP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666979088 493245686 /nfs/dbraw/zinc/24/56/86/493245686.db2.gz LPJGIYXWIIVEMS-INMHGKMJSA-N 2 0 354.495 0.336 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000659679325 493247351 /nfs/dbraw/zinc/24/73/51/493247351.db2.gz HDKMXAVNOSIXKW-ZACQAIPSSA-N 2 0 368.522 0.360 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC000667039800 493253570 /nfs/dbraw/zinc/25/35/70/493253570.db2.gz WNBGNXIIWPUZAX-INIZCTEOSA-N 2 0 368.526 0.411 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000659689246 493254562 /nfs/dbraw/zinc/25/45/62/493254562.db2.gz XWHUONRKTBIXBE-XPQZIERPSA-N 2 0 370.497 0.617 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC[C@H]1F ZINC000659688907 493254621 /nfs/dbraw/zinc/25/46/21/493254621.db2.gz ODZBLQDHLJLDRA-BZUAXINKSA-N 2 0 354.470 0.797 10 0 FCAERP C[C@@H](CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[N@H+](C)Cc1ccccc1 ZINC000659689947 493255162 /nfs/dbraw/zinc/25/51/62/493255162.db2.gz JSXHLTPSFIVMKX-FVWXCPNNSA-N 2 0 358.486 0.881 10 0 FCAERP CC(C)[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[NH+]1CCC(C)CC1 ZINC000659693890 493256811 /nfs/dbraw/zinc/25/68/11/493256811.db2.gz CVNRXRQNFZAPHH-WUJZJPHMSA-N 2 0 350.507 0.727 10 0 FCAERP CC[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000659697950 493259172 /nfs/dbraw/zinc/25/91/72/493259172.db2.gz LUUNNXIUYWRVGD-BPVAQJAMSA-N 2 0 370.497 0.808 10 0 FCAERP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659697868 493259468 /nfs/dbraw/zinc/25/94/68/493259468.db2.gz KHUZQFZSLNNCLS-UHFFFAOYSA-N 2 0 356.470 0.419 10 0 FCAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659703528 493263640 /nfs/dbraw/zinc/26/36/40/493263640.db2.gz CBUDDPAIQIFYSH-RDJZCZTQSA-N 2 0 362.518 0.825 10 0 FCAERP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000659706023 493264184 /nfs/dbraw/zinc/26/41/84/493264184.db2.gz CSDQFSUORKWJHH-RKTXRCNFSA-N 2 0 362.449 0.663 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659708114 493266273 /nfs/dbraw/zinc/26/62/73/493266273.db2.gz NASQQWYXCCHUPT-OAHLLOKOSA-N 2 0 356.511 0.482 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000682293961 493288642 /nfs/dbraw/zinc/28/86/42/493288642.db2.gz 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CC[NH+]1CCC(N2CCC[N@H+](CCN3C(=O)CN(C)C3=O)CC2)CC1 ZINC000660834933 493383286 /nfs/dbraw/zinc/38/32/86/493383286.db2.gz RXNYZOKQJKJXBY-UHFFFAOYSA-N 2 0 351.495 0.372 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000668786876 493410406 /nfs/dbraw/zinc/41/04/06/493410406.db2.gz JHEAZRGTAQGLNQ-IRXDYDNUSA-N 2 0 368.522 0.450 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000669038305 493456713 /nfs/dbraw/zinc/45/67/13/493456713.db2.gz IERYBPMPUHLTBJ-DOTOQJQBSA-N 2 0 366.506 0.156 10 0 FCAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000661894173 493473365 /nfs/dbraw/zinc/47/33/65/493473365.db2.gz NILFJLVLYQYVKA-INIZCTEOSA-N 2 0 353.511 0.522 10 0 FCAERP CC(C)NC(=O)[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000662116643 493490192 /nfs/dbraw/zinc/49/01/92/493490192.db2.gz GAXNWPWOLRQASH-HNNXBMFYSA-N 2 0 350.507 0.966 10 0 FCAERP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000662293827 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C[NH+]1CCC(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)(N2CCOCC2)CC1 ZINC000897969890 665783804 /nfs/dbraw/zinc/78/38/04/665783804.db2.gz IDZGBAGJNAAMOU-SFHVURJKSA-N 2 0 350.507 0.385 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000899230991 665933312 /nfs/dbraw/zinc/93/33/12/665933312.db2.gz RNVSSVRGXIYZAE-FGTMMUONSA-N 2 0 352.523 0.630 10 0 FCAERP CCO[C@H](CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C[NH+](C)C ZINC000926827013 664123909 /nfs/dbraw/zinc/12/39/09/664123909.db2.gz TUEFMGAQUUPPLF-QGZVFWFLSA-N 2 0 356.511 0.707 10 0 FCAERP CCOCCCN1CC[C@H]([NH2+]CC[C@@H]2CNCCS2(=O)=O)[C@H](C)C1 ZINC000925794237 664816567 /nfs/dbraw/zinc/81/65/67/664816567.db2.gz LWJCNMHHNJGYAD-ZACQAIPSSA-N 2 0 361.552 0.490 10 0 FCAERP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000925173770 665178232 /nfs/dbraw/zinc/17/82/32/665178232.db2.gz ZINAZOOJDNMQAE-KKUMJFAQSA-N 2 0 356.536 0.711 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925173313 665178359 /nfs/dbraw/zinc/17/83/59/665178359.db2.gz XGYQSDMTMLCVRK-RBSFLKMASA-N 2 0 369.535 0.328 10 0 FCAERP O=S(=O)(CC1CC[NH2+]CC1)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000905363509 666021864 /nfs/dbraw/zinc/02/18/64/666021864.db2.gz XYGUNBDTXYIJLN-UHFFFAOYSA-N 2 0 366.531 0.511 10 0 FCAERP CC(C)[N@H+](CCO)CC1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000910878198 666286662 /nfs/dbraw/zinc/28/66/62/666286662.db2.gz PIHREDWWFVLRKJ-GOSISDBHSA-N 2 0 353.507 0.648 10 0 FCAERP COCC[N@@H+]1C[C@@H](CO)C2(C1)CC[NH+](C1CCN(C(C)=O)CC1)CC2 ZINC000169789575 666585913 /nfs/dbraw/zinc/58/59/13/666585913.db2.gz NERXAIHWHIPRHR-KRWDZBQOSA-N 2 0 353.507 0.650 10 0 FCAERP CCO[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)C[NH+](C)C ZINC000913998013 666680446 /nfs/dbraw/zinc/68/04/46/666680446.db2.gz DQKZZCGZTOMGCL-IAGOWNOFSA-N 2 0 357.543 0.524 10 0 FCAERP O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CCC([NH+]2CCCOCC2)CC1 ZINC000916292651 666998643 /nfs/dbraw/zinc/99/86/43/666998643.db2.gz TXVBYBLNDJDVKR-SFHVURJKSA-N 2 0 371.547 0.989 10 0 FCAERP O=S(=O)(C[C@@]12CC[NH+](C1)CCC2)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000917712460 667084147 /nfs/dbraw/zinc/08/41/47/667084147.db2.gz XFPNEIPDBKWSHI-SJORKVTESA-N 2 0 357.520 0.333 10 0 FCAERP CCO[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C[NH+](C)C ZINC000921532789 667103647 /nfs/dbraw/zinc/10/36/47/667103647.db2.gz SBBXIMYYLDBQKN-ZACQAIPSSA-N 2 0 356.511 0.630 10 0 FCAERP C[N@H+](CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)CCOCCO ZINC000922113193 667588797 /nfs/dbraw/zinc/58/87/97/667588797.db2.gz LFIDFWNVPFBXCM-MRXNPFEDSA-N 2 0 359.536 0.261 10 0 FCAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](O)CS(C)(=O)=O)CC1 ZINC000922820420 667684762 /nfs/dbraw/zinc/68/47/62/667684762.db2.gz FCYQMFONFMRHOQ-QGZVFWFLSA-N 2 0 369.531 0.714 10 0 FCAERP FC(F)(F)COCCC[NH+]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923309642 667824481 /nfs/dbraw/zinc/82/44/81/667824481.db2.gz YCQKQYCIFNDDRD-CQSZACIVSA-N 2 0 351.413 0.952 10 0 FCAERP CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CC[C@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000923359616 667828515 /nfs/dbraw/zinc/82/85/15/667828515.db2.gz SZPHVANSPDBWDK-RRFJBIMHSA-N 2 0 359.536 0.672 10 0 FCAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC(=O)NC(=O)NC1CCCCC1)CC2 ZINC000923455333 667837078 /nfs/dbraw/zinc/83/70/78/667837078.db2.gz LDEYZHBZSAOQGP-OAHLLOKOSA-N 2 0 352.479 0.975 10 0 FCAERP FC(F)(F)c1ccc(-n2nnnc2CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923461867 667838099 /nfs/dbraw/zinc/83/80/99/667838099.db2.gz YEJDHZKTWOXXSW-UHFFFAOYSA-N 2 0 355.368 0.676 10 0 FCAERP C[C@H]1C[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[C@H]1C[NH3+] ZINC000923498644 667841590 /nfs/dbraw/zinc/84/15/90/667841590.db2.gz IUFWBKLNRLWLCJ-GJZGRUSLSA-N 2 0 364.515 0.949 10 0 FCAERP C[C@@H]1C[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC[C@@H]1C[NH3+] ZINC000923501875 667842450 /nfs/dbraw/zinc/84/24/50/667842450.db2.gz WIFNPUAPWVVDDS-NVXWUHKLSA-N 2 0 350.507 0.764 10 0 FCAERP O=S(=O)(NCCCN1CC[NH+](Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000923590298 667853319 /nfs/dbraw/zinc/85/33/19/667853319.db2.gz TVIFDQRZSSLEAK-UHFFFAOYSA-N 2 0 352.504 0.086 10 0 FCAERP O=S(=O)(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000923601118 667867270 /nfs/dbraw/zinc/86/72/70/667867270.db2.gz IXPHXNUFPKPIFM-KRWDZBQOSA-N 2 0 367.519 0.265 10 0 FCAERP CN(Cc1ccc(Cl)nc1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000839287831 667990946 /nfs/dbraw/zinc/99/09/46/667990946.db2.gz UETOBNHHNJKAIP-UHFFFAOYSA-N 2 0 369.897 0.645 10 0 FCAERP CC(C)[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000819077009 668976344 /nfs/dbraw/zinc/97/63/44/668976344.db2.gz INWNUBSHUFJYFA-HZPDHXFCSA-N 2 0 358.527 0.734 10 0 FCAERP Cc1cc(NC[C@@H](O)C[NH+]2CCN(C)CC2)ccc1OCC[NH+](C)C ZINC000819491593 669006551 /nfs/dbraw/zinc/00/65/51/669006551.db2.gz LHPAMOVNWOIZOY-GOSISDBHSA-N 2 0 350.507 0.956 10 0 FCAERP CS[C@@H]1CN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C[C@H]1[NH+](C)C ZINC000867020938 669188766 /nfs/dbraw/zinc/18/87/66/669188766.db2.gz OUSJDSXBADGGBO-BFHYXJOUSA-N 2 0 374.551 0.945 10 0 FCAERP CN(C[C@@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000822791653 669295015 /nfs/dbraw/zinc/29/50/15/669295015.db2.gz VFVZVNFCGKTQPY-INIZCTEOSA-N 2 0 358.527 0.784 10 0 FCAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc(Cl)n1 ZINC000832526651 669907286 /nfs/dbraw/zinc/90/72/86/669907286.db2.gz XJBZMOOQPLRYPO-JSGCOSHPSA-N 2 0 367.881 0.747 10 0 FCAERP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841851361 670614732 /nfs/dbraw/zinc/61/47/32/670614732.db2.gz PIHBOHGEMLDDMK-OLZOCXBDSA-N 2 0 354.838 0.797 10 0 FCAERP CCON(C)C(=O)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000845566416 671023954 /nfs/dbraw/zinc/02/39/54/671023954.db2.gz PDMBVCFPLTZMGF-OAHLLOKOSA-N 2 0 357.499 0.454 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000867438543 671146944 /nfs/dbraw/zinc/14/69/44/671146944.db2.gz REKODZUCYWXVKH-CABCVRRESA-N 2 0 356.536 0.150 10 0 FCAERP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847319271 671182798 /nfs/dbraw/zinc/18/27/98/671182798.db2.gz ORDBVZXHIQUSQC-GVDBMIGSSA-N 2 0 352.479 0.090 10 0 FCAERP Cc1cc([C@@H]([NH3+])CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc(Cl)n1 ZINC000851644688 671452190 /nfs/dbraw/zinc/45/21/90/671452190.db2.gz UUWHXMJLQMVLIO-AWEZNQCLSA-N 2 0 369.897 0.912 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCO1 ZINC000853683877 671554105 /nfs/dbraw/zinc/55/41/05/671554105.db2.gz XPDOVWYVTCPATE-GVDBMIGSSA-N 2 0 354.495 0.602 10 0 FCAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@](C)(O)C(=O)OC)C2)ccn1 ZINC000856584364 671692013 /nfs/dbraw/zinc/69/20/13/671692013.db2.gz IRVGNIKWCXFITG-WMZOPIPTSA-N 2 0 351.447 0.910 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(=O)n3cc(C)sc3n1)C2 ZINC000903494509 675933682 /nfs/dbraw/zinc/93/36/82/675933682.db2.gz HMJWZBRKPNSVBN-JKDFXYPNSA-N 2 0 362.455 0.777 10 0 FCAERP Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562810 675945237 /nfs/dbraw/zinc/94/52/37/675945237.db2.gz VFZNBLKYAOXXPX-GASCZTMLSA-N 2 0 353.492 0.616 10 0 FCAERP O=C(NC[C@H]1CCCC[NH2+]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861638437 671976852 /nfs/dbraw/zinc/97/68/52/671976852.db2.gz BQTYMYDCYAFICD-YUELXQCFSA-N 2 0 351.451 0.095 10 0 FCAERP C[C@@H](CCCC[NH3+])NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861644031 671977150 /nfs/dbraw/zinc/97/71/50/671977150.db2.gz TYUXLWFGEOXROV-CFVMTHIKSA-N 2 0 353.467 0.471 10 0 FCAERP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903719593 675963432 /nfs/dbraw/zinc/96/34/32/675963432.db2.gz PCGYRSJPPYXDDL-CHWSQXEVSA-N 2 0 366.428 0.771 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC[C@@H]1C(F)(F)F ZINC000903736678 675965560 /nfs/dbraw/zinc/96/55/60/675965560.db2.gz YTXSHFQZNKKCBQ-FRRDWIJNSA-N 2 0 362.396 0.421 10 0 FCAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000903754298 675967975 /nfs/dbraw/zinc/96/79/75/675967975.db2.gz DPJALKAAORCJHR-GJZGRUSLSA-N 2 0 354.495 0.141 10 0 FCAERP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@@H]([NH3+])C3)C2)C1 ZINC000903787017 675973311 /nfs/dbraw/zinc/97/33/11/675973311.db2.gz HHURNJIPNBXYNR-HUBLWGQQSA-N 2 0 362.396 0.279 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903762292 675969814 /nfs/dbraw/zinc/96/98/14/675969814.db2.gz XHRCGVXQPRKLPM-UPJWGTAASA-N 2 0 364.412 0.714 10 0 FCAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cnn1C ZINC000903883914 675980680 /nfs/dbraw/zinc/98/06/80/675980680.db2.gz MAUUGVFVVAHWJO-DOTOQJQBSA-N 2 0 371.551 0.640 10 0 FCAERP CN(C)c1ncc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)s1 ZINC000863642524 672144482 /nfs/dbraw/zinc/14/44/82/672144482.db2.gz RALHVKYENTUPPU-KGLIPLIRSA-N 2 0 351.476 0.966 10 0 FCAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cnn1C ZINC000903924496 675983194 /nfs/dbraw/zinc/98/31/94/675983194.db2.gz DVQKWFKSAIHBNH-OCCSQVGLSA-N 2 0 361.412 0.989 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=S)NCCCN2CCOCC2)C[C@H]1C[NH+](C)C ZINC000865244607 672234346 /nfs/dbraw/zinc/23/43/46/672234346.db2.gz BSBISNPURLMXSW-IAGOWNOFSA-N 2 0 371.595 0.254 10 0 FCAERP C[C@H]1CC[C@H](C)N(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867542715 672334729 /nfs/dbraw/zinc/33/47/29/672334729.db2.gz NIKSIWWQBIIJQK-MWDXBVQZSA-N 2 0 352.523 0.831 10 0 FCAERP CCO[C@H](CS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000867590741 672343771 /nfs/dbraw/zinc/34/37/71/672343771.db2.gz TXDGPOCFZCZRAF-BRWVUGGUSA-N 2 0 361.552 0.803 10 0 FCAERP CCn1cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1C ZINC000867591059 672343942 /nfs/dbraw/zinc/34/39/42/672343942.db2.gz YNTHELCTYFKULO-HUUCEWRRSA-N 2 0 357.524 0.571 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCSC2)C[C@H]1C[NH+](C)C ZINC000867678186 672354601 /nfs/dbraw/zinc/35/46/01/672354601.db2.gz RPUYAXZMLCAHSJ-ARFHVFGLSA-N 2 0 370.563 0.444 10 0 FCAERP CCC(=O)N[C@H](CCSC)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023038 672462169 /nfs/dbraw/zinc/46/21/69/672462169.db2.gz JOWIHCRHIYMKDU-BZUAXINKSA-N 2 0 372.579 0.832 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CSc2nnnn2C2CC2)C[C@H]1C[NH+](C)C ZINC000870023744 672462345 /nfs/dbraw/zinc/46/23/45/672462345.db2.gz LCPDUQJWNNGZMM-CHWSQXEVSA-N 2 0 367.523 0.298 10 0 FCAERP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870903783 672518941 /nfs/dbraw/zinc/51/89/41/672518941.db2.gz KXDCJUYTLOUZMB-VCBZYWHSSA-N 2 0 350.507 0.857 10 0 FCAERP [NH3+][C@H](C[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1)C1CCCC1 ZINC000871823220 672576206 /nfs/dbraw/zinc/57/62/06/672576206.db2.gz RCPRJLWYJPKJED-USXIJHARSA-N 2 0 359.536 0.924 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872188737 672597999 /nfs/dbraw/zinc/59/79/99/672597999.db2.gz BPQDMJWRWHLUIW-LPWJVIDDSA-N 2 0 364.412 0.381 10 0 FCAERP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000872193228 672601602 /nfs/dbraw/zinc/60/16/02/672601602.db2.gz SEZVUYXQPTUAFS-YPMHNXCESA-N 2 0 364.412 0.571 10 0 FCAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872257475 672609103 /nfs/dbraw/zinc/60/91/03/672609103.db2.gz RRIOIHYPQWAISG-ILXRZTDVSA-N 2 0 350.463 0.548 10 0 FCAERP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872304202 672611675 /nfs/dbraw/zinc/61/16/75/672611675.db2.gz RLRWHWLJVISEAE-MJBXVCDLSA-N 2 0 364.471 0.817 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC2([S@](C)=O)CCC2)C[C@H]1C[NH+](C)C ZINC000875556091 672892556 /nfs/dbraw/zinc/89/25/56/672892556.db2.gz KZJNYLLKRLXLDN-FENDNCTDSA-N 2 0 358.552 0.668 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[C@@H]1C[NH3+] ZINC000926347412 673825186 /nfs/dbraw/zinc/82/51/86/673825186.db2.gz PCAXYINLIRGVQW-HUUCEWRRSA-N 2 0 350.463 0.613 10 0 FCAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1)CC2 ZINC000926348884 673825469 /nfs/dbraw/zinc/82/54/69/673825469.db2.gz WFBPBMQNUOFUQF-NXOAAHMSSA-N 2 0 350.507 0.903 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCCOC2CCOCC2)C[C@H]1C[NH+](C)C ZINC000927502120 673864177 /nfs/dbraw/zinc/86/41/77/673864177.db2.gz IYPXHXNBPHHYLY-HZPDHXFCSA-N 2 0 356.511 0.563 10 0 FCAERP C[C@@H]1[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)C2)CC[NH+]1C ZINC000928432189 673909932 /nfs/dbraw/zinc/90/99/32/673909932.db2.gz QECJOEVIVVDYTK-VCCANDMLSA-N 2 0 350.507 0.820 10 0 FCAERP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC23CC[NH+](C)CC3)CC1 ZINC000929299104 673948924 /nfs/dbraw/zinc/94/89/24/673948924.db2.gz WOBZYYDWKDHXMI-UHFFFAOYSA-N 2 0 350.507 0.920 10 0 FCAERP 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Cc1c(C[C@H](C[NH3+])CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cnn1C ZINC000903892800 1218560103 /nfs/dbraw/zinc/56/01/03/1218560103.db2.gz WSCDIRGQWMYDED-QGZVFWFLSA-N 2 0 362.522 0.086 10 0 FCAERP Cc1c(C[C@H](C[NH3+])CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cnn1C ZINC000903909936 1218561343 /nfs/dbraw/zinc/56/13/43/1218561343.db2.gz IZCXCYPPQAFJNP-ILZDJORESA-N 2 0 362.566 0.804 10 0 FCAERP C[C@@H](CCC[NH2+]CC(=O)Nc1cnccn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277194131 1225868468 /nfs/dbraw/zinc/86/84/68/1225868468.db2.gz VBXBHMIQLKXXIT-RRFJBIMHSA-N 2 0 362.478 0.630 10 0 FCAERP CC(C)NC(=O)NCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001491107061 1220085452 /nfs/dbraw/zinc/08/54/52/1220085452.db2.gz CSUMZXGGSFJTAE-BRWVUGGUSA-N 2 0 367.538 0.862 10 0 FCAERP COCCCNC(=O)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001491216002 1220094871 /nfs/dbraw/zinc/09/48/71/1220094871.db2.gz WKEMVIOVFVNKIM-BRWVUGGUSA-N 2 0 368.522 0.450 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001118313529 1221756618 /nfs/dbraw/zinc/75/66/18/1221756618.db2.gz NNSYFPLJQKIJRV-INIZCTEOSA-N 2 0 368.522 0.897 10 0 FCAERP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001118871127 1221838119 /nfs/dbraw/zinc/83/81/19/1221838119.db2.gz GFKYGMYBBDPGAH-UHFFFAOYSA-N 2 0 368.522 0.581 10 0 FCAERP Cn1cc(CNC(=O)C23CC[NH+](CC2)C3)c(NC(=O)C23CC[NH+](CC2)C3)n1 ZINC001119568274 1221934236 /nfs/dbraw/zinc/93/42/36/1221934236.db2.gz CDPURCFUUBBHNZ-UHFFFAOYSA-N 2 0 372.473 0.166 10 0 FCAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCC(=O)NCC[NH+]3CCCCCC3)[C@H]2C1 ZINC001123650844 1222347365 /nfs/dbraw/zinc/34/73/65/1222347365.db2.gz XZJONERPMJSDII-YESZJQIVSA-N 2 0 365.522 0.618 10 0 FCAERP CN1CC[NH+](CC2CCN(C(=O)N[C@@H]3CC[C@@H]4C[N@H+](C)C[C@@H]34)CC2)CC1 ZINC001123705118 1222352134 /nfs/dbraw/zinc/35/21/34/1222352134.db2.gz JFFSRIIAALGVNO-GUDVDZBRSA-N 2 0 363.550 0.996 10 0 FCAERP C[N@H+](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCC[C@H]1O ZINC001141334426 1222653589 /nfs/dbraw/zinc/65/35/89/1222653589.db2.gz LDKFAYFCLNKIOC-IAGOWNOFSA-N 2 0 361.490 0.295 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](c2ccccn2)C1 ZINC000839286069 1222718606 /nfs/dbraw/zinc/71/86/06/1222718606.db2.gz JSXMKLGEJJXGPW-INIZCTEOSA-N 2 0 361.490 0.349 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CC[C@H]5C[N@@H+](C)C[C@@H]54)C3)[C@@H]2C1 ZINC000839776405 1222756746 /nfs/dbraw/zinc/75/67/46/1222756746.db2.gz KUSGNAVLOOELED-BAMLVTLESA-N 2 0 374.529 0.728 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CC[C@H]5C[N@@H+](C)C[C@H]54)C3)[C@H]2C1 ZINC000839776409 1222756976 /nfs/dbraw/zinc/75/69/76/1222756976.db2.gz KUSGNAVLOOELED-IJANMDNKSA-N 2 0 374.529 0.728 10 0 FCAERP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCC[NH+](C(C)C)C2)CC1=O ZINC001141738819 1222764148 /nfs/dbraw/zinc/76/41/48/1222764148.db2.gz BOACVOCDYXUDJM-IAGOWNOFSA-N 2 0 368.522 0.402 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000843262074 1222867852 /nfs/dbraw/zinc/86/78/52/1222867852.db2.gz MWKSIWSMEYXSCS-UHFFFAOYSA-N 2 0 363.462 0.374 10 0 FCAERP CCNC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001276589261 1223579300 /nfs/dbraw/zinc/57/93/00/1223579300.db2.gz OKAHDCIHOBYWLS-RRFJBIMHSA-N 2 0 367.494 0.047 10 0 FCAERP CC[N@H+](CCO)CCNC(=O)[C@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849578251 1245403892 /nfs/dbraw/zinc/40/38/92/1245403892.db2.gz LCGZBGXJMNKAAP-ROUUACIJSA-N 2 0 365.522 0.664 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H]2CCC[NH+](CCCO)C2)cn1 ZINC000849598958 1245406513 /nfs/dbraw/zinc/40/65/13/1245406513.db2.gz JDWHEDKAZGGGCK-OKZBNKHCSA-N 2 0 363.506 0.418 10 0 FCAERP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H]2CCC[NH+](CCCO)C2)cn1 ZINC000849598956 1245406891 /nfs/dbraw/zinc/40/68/91/1245406891.db2.gz JDWHEDKAZGGGCK-BZSNNMDCSA-N 2 0 363.506 0.418 10 0 FCAERP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923310961 1245707597 /nfs/dbraw/zinc/70/75/97/1245707597.db2.gz ZOLSWLGRFZFVJB-QGZVFWFLSA-N 3 0 366.550 0.781 10 0 FCAERP Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000923416794 1245717889 /nfs/dbraw/zinc/71/78/89/1245717889.db2.gz ZWOJMRUUHPOWIQ-AHCXZYCDSA-N 2 0 361.442 0.602 10 0 FCAERP C[C@H](NC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1)C(=O)N1CCCCC1 ZINC000923450312 1245720884 /nfs/dbraw/zinc/72/08/84/1245720884.db2.gz VBAXEMOAEAUAIM-JKSUJKDBSA-N 2 0 366.506 0.333 10 0 FCAERP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452460 1245720998 /nfs/dbraw/zinc/72/09/98/1245720998.db2.gz VBDTWAPJRFSXPS-HOTGVXAUSA-N 2 0 367.490 0.760 10 0 FCAERP CCCC[NH+]1CCC(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CC1 ZINC001518890919 1265685601 /nfs/dbraw/zinc/68/56/01/1265685601.db2.gz WMMKIQVRXLQSFM-PKOBYXMFSA-N 2 0 368.522 0.776 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001520001236 1265822311 /nfs/dbraw/zinc/82/23/11/1265822311.db2.gz FXOGPGRHVSSZHD-JKSUJKDBSA-N 2 0 362.518 0.920 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCOC(C)(C)C2)C[C@H]1C[NH+](C)C ZINC001329811612 1265858429 /nfs/dbraw/zinc/85/84/29/1265858429.db2.gz SIJOYFWZGIYHDW-HZPDHXFCSA-N 2 0 368.522 0.212 10 0 FCAERP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001329999288 1265920069 /nfs/dbraw/zinc/92/00/69/1265920069.db2.gz BNZRWCYBMPCOKA-UHDSXZAQSA-N 2 0 368.522 0.589 10 0 FCAERP CCCCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001330295710 1265981043 /nfs/dbraw/zinc/98/10/43/1265981043.db2.gz HQTGMYKGPAVGJC-NNPSNHGLSA-N 2 0 364.534 0.927 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001521034916 1266066621 /nfs/dbraw/zinc/06/66/21/1266066621.db2.gz DJTNZUGCGUHEST-PMPSAXMXSA-N 2 0 350.507 0.918 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001521559604 1266139966 /nfs/dbraw/zinc/13/99/66/1266139966.db2.gz QVTBHTGVQADBCQ-GJYPPUQNSA-N 2 0 350.507 0.728 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001521613495 1266150599 /nfs/dbraw/zinc/15/05/99/1266150599.db2.gz LLQJLCAULXYCSK-VIPLHTEESA-N 2 0 364.534 0.974 10 0 FCAERP CC(C)[C@H](C(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1)[NH+](C)C ZINC001521909559 1266210346 /nfs/dbraw/zinc/21/03/46/1266210346.db2.gz DPEBZCHQAZTFLH-JFIYKMOQSA-N 2 0 352.523 0.879 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccc3c2CCOC3)CC[N@@H+]1C ZINC001331712286 1266270144 /nfs/dbraw/zinc/27/01/44/1266270144.db2.gz NCCIXHXXUGHPRT-ZTFGCOKTSA-N 2 0 361.486 0.666 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCOCCN(C)C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001336607450 1260184118 /nfs/dbraw/zinc/18/41/18/1260184118.db2.gz YJURQOFRVBEKIM-GVDBMIGSSA-N 2 0 368.522 0.402 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1cccc2c1C[NH2+]CC2 ZINC001261877175 1260206171 /nfs/dbraw/zinc/20/61/71/1260206171.db2.gz ZKHSIPKIACFOKL-MLGOLLRUSA-N 2 0 358.442 0.408 10 0 FCAERP CN(C(=O)c1cn([C@@H]2CC[C@H]2O)nn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001262155426 1260271262 /nfs/dbraw/zinc/27/12/62/1260271262.db2.gz KWUBHCHCIASPFU-DJIMGWMZSA-N 2 0 362.478 0.214 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)C(C)(C)C[NH+](C)C ZINC001262266195 1260291677 /nfs/dbraw/zinc/29/16/77/1260291677.db2.gz LRNWDFFVDUABAA-ARFHVFGLSA-N 2 0 368.522 0.137 10 0 FCAERP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001265559851 1260415264 /nfs/dbraw/zinc/41/52/64/1260415264.db2.gz XQKKMIRNKOGCEM-APAFKAMOSA-N 2 0 361.486 0.576 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC(c3c[nH]cn3)CC2)C[C@H]1C(F)(F)F ZINC001332232055 1266363061 /nfs/dbraw/zinc/36/30/61/1266363061.db2.gz NMEXPUKKELLFHN-VXGBXAGGSA-N 2 0 373.379 0.711 10 0 FCAERP C[C@H](NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1)C1CC1 ZINC001279363481 1260849255 /nfs/dbraw/zinc/84/92/55/1260849255.db2.gz UAFMEIMRMZUSHF-KVDVXYDOSA-N 2 0 362.518 0.632 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1O ZINC001281672864 1261142368 /nfs/dbraw/zinc/14/23/68/1261142368.db2.gz SOBSBCBUUQKANU-BRWVUGGUSA-N 2 0 368.522 0.281 10 0 FCAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2O)C1 ZINC001281708781 1261165602 /nfs/dbraw/zinc/16/56/02/1261165602.db2.gz YPAWQDYYIRBXHN-BRWVUGGUSA-N 2 0 368.522 0.137 10 0 FCAERP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001281714115 1261169053 /nfs/dbraw/zinc/16/90/53/1261169053.db2.gz OLVFJNQZSFLTGL-RRFJBIMHSA-N 2 0 369.510 0.293 10 0 FCAERP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1O ZINC001281929676 1261292480 /nfs/dbraw/zinc/29/24/80/1261292480.db2.gz PSNPZJSRXYMYOX-SJORKVTESA-N 2 0 362.474 0.001 10 0 FCAERP 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CBKKDUXMZCCWBT-SFHVURJKSA-N 2 0 351.495 0.372 10 0 FCAERP CC[C@@H]1CN(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)CC[C@H]1[NH3+] ZINC001330518499 872681458 /nfs/dbraw/zinc/68/14/58/872681458.db2.gz CXRFPRXHQFDUTJ-GDBMZVCRSA-N 2 0 353.511 0.746 10 0 FCAERP CN(C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC(C)(C)C1 ZINC001348650692 872750958 /nfs/dbraw/zinc/75/09/58/872750958.db2.gz HZMXYHXRNSXSHS-HUUCEWRRSA-N 2 0 352.523 0.831 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC2(CCC2)O1 ZINC001331861620 873280013 /nfs/dbraw/zinc/28/00/13/873280013.db2.gz FFDAMXMRHJFJQF-OAHLLOKOSA-N 2 0 354.495 0.156 10 0 FCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001332572646 873562370 /nfs/dbraw/zinc/56/23/70/873562370.db2.gz NLXJOPIZRMRYOB-CQSZACIVSA-N 2 0 350.467 0.183 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2cnn(C)c2)CC[N@@H+]1C ZINC001332634542 873591404 /nfs/dbraw/zinc/59/14/04/873591404.db2.gz YHYKNIQDDIZEIQ-IXDOHACOSA-N 2 0 351.495 0.402 10 0 FCAERP 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CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC)C2)CC1=O ZINC000246484711 209390153 /nfs/dbraw/zinc/39/01/53/209390153.db2.gz RXZJWTGTFWCFSV-IXDOHACOSA-N 2 0 350.507 0.777 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000246219562 209380858 /nfs/dbraw/zinc/38/08/58/209380858.db2.gz QGVZFPYNLAAGPW-RBUKOAKNSA-N 2 0 366.550 0.877 10 0 FCAERP CO[C@@H]1CC[C@@H]2OCCN(Cc3cnc(N4CCN(C)CC4)nc3)[C@@H]2C1 ZINC000245740917 209374204 /nfs/dbraw/zinc/37/42/04/209374204.db2.gz GFHMZRYZEBMGBI-KURKYZTESA-N 2 0 361.490 0.997 10 0 FCAERP CN1CCN(C(=O)CC2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)CC1 ZINC000237191497 209349005 /nfs/dbraw/zinc/34/90/05/209349005.db2.gz WPFFKWXOCTUSHN-IBGZPJMESA-N 2 0 372.513 0.959 10 0 FCAERP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCCC[NH3+])CC1 ZINC000415294680 245380060 /nfs/dbraw/zinc/38/00/60/245380060.db2.gz QUUCMQXZHBXRKM-UHFFFAOYSA-N 2 0 367.881 0.885 10 0 FCAERP [NH3+]CCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000415298750 245381698 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358.486 0.809 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419504323 246182541 /nfs/dbraw/zinc/18/25/41/246182541.db2.gz GKNNPSAOJZOIOH-KBAYOESNSA-N 2 0 358.486 0.739 10 0 FCAERP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000419499943 246182699 /nfs/dbraw/zinc/18/26/99/246182699.db2.gz YWMORDISKLDIIH-JKSUJKDBSA-N 2 0 355.527 0.109 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000419519415 246189574 /nfs/dbraw/zinc/18/95/74/246189574.db2.gz FTSMPXVBISLWMM-VXGQWTEUSA-N 2 0 354.495 0.452 10 0 FCAERP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419677736 246243704 /nfs/dbraw/zinc/24/37/04/246243704.db2.gz CSZXPNNCHZREFJ-HNNXBMFYSA-N 2 0 352.479 0.006 10 0 FCAERP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCCC1)C[NH+]1CCN(C)CC1 ZINC000419828138 246308743 /nfs/dbraw/zinc/30/87/43/246308743.db2.gz OVXKGOVDWLXEEJ-MRXNPFEDSA-N 2 0 367.538 0.154 10 0 FCAERP 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ZINC000423379912 247015541 /nfs/dbraw/zinc/01/55/41/247015541.db2.gz YFRXTXBKNVAWFH-RDTXWAMCSA-N 2 0 350.463 0.613 10 0 FCAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423605628 247072437 /nfs/dbraw/zinc/07/24/37/247072437.db2.gz HGRIONFFLUDCCQ-HZPDHXFCSA-N 2 0 364.515 0.849 10 0 FCAERP C[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+](C)C1CC1 ZINC000931779756 674134111 /nfs/dbraw/zinc/13/41/11/674134111.db2.gz KUYHWJYPUKTWCH-KFZJALRRSA-N 2 0 350.507 0.820 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000472463414 250150673 /nfs/dbraw/zinc/15/06/73/250150673.db2.gz OPHXHJLIVOCOKC-MRXNPFEDSA-N 2 0 353.511 0.666 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000473956224 250259022 /nfs/dbraw/zinc/25/90/22/250259022.db2.gz LWVRGXZADYRWBP-INIZCTEOSA-N 2 0 356.511 0.632 10 0 FCAERP CC1=CC[NH+](CCNC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000481258811 250328644 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C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[C@H](C)[C@H](C)O1 ZINC000410968323 230333086 /nfs/dbraw/zinc/33/30/86/230333086.db2.gz DUCZQQZBTLKMRH-OAGGEKHMSA-N 2 0 368.522 0.495 10 0 FCAERP CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000050993719 488119923 /nfs/dbraw/zinc/11/99/23/488119923.db2.gz SJRAAOKSYNTWAV-HNNXBMFYSA-N 2 0 350.507 0.968 10 0 FCAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000054994180 488234058 /nfs/dbraw/zinc/23/40/58/488234058.db2.gz MSXBGRQJKXJOTK-MRXNPFEDSA-N 2 0 366.506 0.158 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[NH+](C(C)C)CC2)C1 ZINC000069082661 488370754 /nfs/dbraw/zinc/37/07/54/488370754.db2.gz NPSMLFPJZTZZEY-SFHVURJKSA-N 2 0 354.539 0.876 10 0 FCAERP O=C1CCCN1C[C@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182979092 488390780 /nfs/dbraw/zinc/39/07/80/488390780.db2.gz QKUMMDKCQHVEHL-GOSISDBHSA-N 2 0 353.507 0.794 10 0 FCAERP CC[C@H]1CN(C(=O)NC2CC[NH+](CCOC)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000184964752 488399215 /nfs/dbraw/zinc/39/92/15/488399215.db2.gz ZBWAXSFBICVWKB-WBVHZDCISA-N 2 0 356.511 0.584 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000192799411 488424813 /nfs/dbraw/zinc/42/48/13/488424813.db2.gz VVDTVJQMRBZJIF-IRXDYDNUSA-N 2 0 356.511 0.489 10 0 FCAERP CC[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1CCOC ZINC000246436779 488473157 /nfs/dbraw/zinc/47/31/57/488473157.db2.gz UAAMDFWFWALYML-ZWKOTPCHSA-N 2 0 369.554 0.622 10 0 FCAERP CC[C@@H]1CN(CCN2CC[NH+](C[C@H](C)O)[C@@H](CC)C2)CC[N@@H+]1C[C@@H](C)O ZINC000246650490 488474025 /nfs/dbraw/zinc/47/40/25/488474025.db2.gz BNAKOYBRIZAAKQ-FGYAAKKASA-N 2 0 370.582 0.540 10 0 FCAERP C[C@H](O)C[N@@H+]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000248391143 488495310 /nfs/dbraw/zinc/49/53/10/488495310.db2.gz CTCKSTXUKHRPLO-JENIJYKNSA-N 2 0 362.518 0.792 10 0 FCAERP CC[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000248489710 488497668 /nfs/dbraw/zinc/49/76/68/488497668.db2.gz NBARVXORYXBRAZ-IRXDYDNUSA-N 3 0 369.554 0.499 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000248595058 488498802 /nfs/dbraw/zinc/49/88/02/488498802.db2.gz HZKKIUSVVVDKBR-IRXDYDNUSA-N 2 0 370.538 0.972 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000249134721 488506945 /nfs/dbraw/zinc/50/69/45/488506945.db2.gz UFVVYYDTWZVHTO-JKSUJKDBSA-N 2 0 356.511 0.584 10 0 FCAERP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000252352655 488518114 /nfs/dbraw/zinc/51/81/14/488518114.db2.gz MHFFKPYIHFIVMC-MAUKXSAKSA-N 2 0 368.522 0.138 10 0 FCAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)C1 ZINC000261907263 488541062 /nfs/dbraw/zinc/54/10/62/488541062.db2.gz XAUWONMNPSOJPF-RCCFBDPRSA-N 2 0 352.523 0.757 10 0 FCAERP [NH3+]C[C@@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1 ZINC000261937993 488542555 /nfs/dbraw/zinc/54/25/55/488542555.db2.gz XCCHKJBXTRTHEE-KGLIPLIRSA-N 2 0 362.371 0.820 10 0 FCAERP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[C@H]1CC ZINC000262121670 488551713 /nfs/dbraw/zinc/55/17/13/488551713.db2.gz FZJWMYRXMLLEMW-KURKYZTESA-N 2 0 363.506 0.682 10 0 FCAERP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000569958613 491206787 /nfs/dbraw/zinc/20/67/87/491206787.db2.gz SELNYAZMUSBQQM-UHFFFAOYSA-N 2 0 354.495 0.015 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000123182825 488583354 /nfs/dbraw/zinc/58/33/54/488583354.db2.gz SHEOMPXMYJICCX-KZNAEPCWSA-N 3 0 354.539 0.874 10 0 FCAERP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000563081459 491213734 /nfs/dbraw/zinc/21/37/34/491213734.db2.gz DCKYTYDAZCSGFQ-QGZVFWFLSA-N 2 0 350.507 0.827 10 0 FCAERP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000150727692 488699011 /nfs/dbraw/zinc/69/90/11/488699011.db2.gz DXNHTMPZXPIWFU-HNNXBMFYSA-N 2 0 350.467 0.374 10 0 FCAERP CC[NH+]1CCC[C@@H](NC(=O)CSCC(=O)N[C@H]2CCC[N@@H+](CC)C2)C1 ZINC000153373441 488730094 /nfs/dbraw/zinc/73/00/94/488730094.db2.gz XHSLVTAOOGDNDS-IYBDPMFKSA-N 2 0 370.563 0.921 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000563142347 491220365 /nfs/dbraw/zinc/22/03/65/491220365.db2.gz MVVJYRGBYOARHI-XWIAVFTESA-N 2 0 356.470 0.670 10 0 FCAERP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCC[C@H](C(N)=O)C3)C2)[nH+]1 ZINC000171651593 488824943 /nfs/dbraw/zinc/82/49/43/488824943.db2.gz QMTCKVWWYMMOGS-HOTGVXAUSA-N 2 0 359.474 0.848 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000174378726 488848920 /nfs/dbraw/zinc/84/89/20/488848920.db2.gz AKPDTXGIBVLDKF-SFHVURJKSA-N 2 0 370.501 0.989 10 0 FCAERP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000174729658 488850927 /nfs/dbraw/zinc/85/09/27/488850927.db2.gz NLFLUBRFNBDDFI-ROUUACIJSA-N 2 0 352.523 0.726 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000175736352 488855121 /nfs/dbraw/zinc/85/51/21/488855121.db2.gz VXBOGPOXKGIUOD-INIZCTEOSA-N 2 0 356.511 0.849 10 0 FCAERP CC[C@@H]1CN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000181725220 488863888 /nfs/dbraw/zinc/86/38/88/488863888.db2.gz MSZVZHOEGIAFFB-GVDBMIGSSA-N 2 0 355.527 0.109 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000365513512 489082799 /nfs/dbraw/zinc/08/27/99/489082799.db2.gz PGFQNKKOBBDJHF-FUHWJXTLSA-N 2 0 368.522 0.992 10 0 FCAERP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000570426714 491240547 /nfs/dbraw/zinc/24/05/47/491240547.db2.gz XJFAGUAGSXKZOP-IAGOWNOFSA-N 2 0 368.522 0.728 10 0 FCAERP C[NH+](C)CCN1C[C@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1=O ZINC000369925681 489292523 /nfs/dbraw/zinc/29/25/23/489292523.db2.gz FLPMPYMTWAHDJH-QGZVFWFLSA-N 2 0 350.507 0.731 10 0 FCAERP CC(C)Nc1nc(NCCO)nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000370270675 489338232 /nfs/dbraw/zinc/33/82/32/489338232.db2.gz LLXIYADXUGQVFO-CABCVRRESA-N 2 0 363.510 0.391 10 0 FCAERP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000286050259 489350394 /nfs/dbraw/zinc/35/03/94/489350394.db2.gz RZMGLUAFQLKGRL-IAGOWNOFSA-N 2 0 362.474 0.242 10 0 FCAERP C[C@@H]1CCCc2nc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn21 ZINC000563608663 491258054 /nfs/dbraw/zinc/25/80/54/491258054.db2.gz BQRSVRLLOUVAMP-CQSZACIVSA-N 2 0 357.524 0.894 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C[C@@]1(C)C[NH3+] ZINC000423170869 489499776 /nfs/dbraw/zinc/49/97/76/489499776.db2.gz MZMPLUVCVXFDLW-JTDSTZFVSA-N 2 0 350.507 0.907 10 0 FCAERP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000423225405 489505132 /nfs/dbraw/zinc/50/51/32/489505132.db2.gz MQWNTHQHFMPDOV-CVEARBPZSA-N 2 0 352.479 0.040 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000423302781 489513423 /nfs/dbraw/zinc/51/34/23/489513423.db2.gz KNEGFMXGKPCOKU-UHFFFAOYSA-N 2 0 350.507 0.920 10 0 FCAERP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)CC1 ZINC000423302532 489513613 /nfs/dbraw/zinc/51/36/13/489513613.db2.gz JUIVFLDDSHWOPT-JYSRZZCRSA-N 2 0 362.518 0.920 10 0 FCAERP O=C(NCCCn1ccnc1)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000555633663 491261034 /nfs/dbraw/zinc/26/10/34/491261034.db2.gz ZQCSXHXHIHXVJI-INIZCTEOSA-N 2 0 363.462 0.103 10 0 FCAERP CN1CC[C@@H](CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1=O ZINC000425833460 489532907 /nfs/dbraw/zinc/53/29/07/489532907.db2.gz DIKXNKRAIMNSNX-MRXNPFEDSA-N 2 0 355.527 0.770 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000415633004 489538838 /nfs/dbraw/zinc/53/88/38/489538838.db2.gz PPROMBOFYQVKKA-IYBDPMFKSA-N 2 0 360.458 0.918 10 0 FCAERP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(OC[C@H]3CCCCO3)CC2)C1=O ZINC000426088713 489554885 /nfs/dbraw/zinc/55/48/85/489554885.db2.gz ZRTQTHIMHKQDHO-SJORKVTESA-N 2 0 367.490 0.726 10 0 FCAERP O=C(NCCNc1cc[nH+]cc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000426582338 489576483 /nfs/dbraw/zinc/57/64/83/489576483.db2.gz ZAJXPFGWXRTOIU-ZWKOTPCHSA-N 2 0 361.490 0.983 10 0 FCAERP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000372399087 489580962 /nfs/dbraw/zinc/58/09/62/489580962.db2.gz BHMQKMLTSFOMOD-TVFCKZIOSA-N 2 0 350.507 0.430 10 0 FCAERP CCC(CC)[C@@H](CNC(=O)N1CCN(CCO)C[C@@H]1C)N1CCOCC1 ZINC000457619847 489651237 /nfs/dbraw/zinc/65/12/37/489651237.db2.gz POSGKCSYNQVPID-FUHWJXTLSA-N 2 0 370.538 0.831 10 0 FCAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417546050 489657895 /nfs/dbraw/zinc/65/78/95/489657895.db2.gz LEYMENBMRZRCQL-GRDNDAEWSA-N 2 0 361.490 0.919 10 0 FCAERP CC(C)C[C@H](C[NH3+])NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000417698085 489661721 /nfs/dbraw/zinc/66/17/21/489661721.db2.gz DGCLFBAKZVKSMX-MRXNPFEDSA-N 2 0 353.511 0.603 10 0 FCAERP COCC[NH2+]CCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000417759457 489664760 /nfs/dbraw/zinc/66/47/60/489664760.db2.gz DTFOEBPVFRWWIG-UHFFFAOYSA-N 2 0 355.527 0.472 10 0 FCAERP CC[NH+]1CCN(CC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000428984756 489669075 /nfs/dbraw/zinc/66/90/75/489669075.db2.gz STZRVXCJTJZVSR-NRFANRHFSA-N 2 0 374.529 0.719 10 0 FCAERP C[NH+](C)CCOc1cc(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)ccn1 ZINC000417952953 489673359 /nfs/dbraw/zinc/67/33/59/489673359.db2.gz OYZZBJMGNYVWLH-CYBMUJFWSA-N 2 0 357.405 0.818 10 0 FCAERP O=C(NC[C@H]1CCCC[N@H+]1CCO)NCC1([NH+]2CCCC2)CCOCC1 ZINC000458335746 489676985 /nfs/dbraw/zinc/67/69/85/489676985.db2.gz LIPKQVOTBBJFGT-QGZVFWFLSA-N 2 0 368.522 0.777 10 0 FCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418451540 489698707 /nfs/dbraw/zinc/69/87/07/489698707.db2.gz MYXGVLKMCHLBSC-KRWDZBQOSA-N 2 0 361.490 0.882 10 0 FCAERP [NH3+][C@H](CNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000418453356 489699139 /nfs/dbraw/zinc/69/91/39/489699139.db2.gz OZQZDBASZWUUNH-KBAYOESNSA-N 2 0 373.501 0.976 10 0 FCAERP CC(C)C[C@H](NC(=O)NC[C@]1(C)CCC[NH2+]C1)C(=O)NCC[NH+](C)C ZINC000418535731 489705034 /nfs/dbraw/zinc/70/50/34/489705034.db2.gz HWUJRFNEOQHWIV-MAUKXSAKSA-N 2 0 355.527 0.768 10 0 FCAERP OCC[C@@H]1CSCC[NH+]1CCOCC[N@H+]1CCSC[C@H]1CCO ZINC000489324025 489705774 /nfs/dbraw/zinc/70/57/74/489705774.db2.gz FUEHFOZTAKMFDT-HZPDHXFCSA-N 2 0 364.577 0.603 10 0 FCAERP O=C(NC[C@H]1CCC[N@H+]1CCCO)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418672862 489717341 /nfs/dbraw/zinc/71/73/41/489717341.db2.gz NHTSNTQBQWRQIT-DAWZGUTISA-N 2 0 367.538 0.349 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)NCC[NH+](C)C ZINC000418792543 489728656 /nfs/dbraw/zinc/72/86/56/489728656.db2.gz NSCPUAWDUXPOHH-NXOAAHMSSA-N 2 0 367.538 0.766 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000418861109 489762932 /nfs/dbraw/zinc/76/29/32/489762932.db2.gz DKAHIUJPUWMWPW-UKRRQHHQSA-N 2 0 354.495 0.454 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)[NH+](C)C)c1 ZINC000418864146 489763469 /nfs/dbraw/zinc/76/34/69/489763469.db2.gz QBPXLOJUGGTMJW-COXVUDFISA-N 2 0 362.474 0.528 10 0 FCAERP CCNC(=O)N1CC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000474455252 489763787 /nfs/dbraw/zinc/76/37/87/489763787.db2.gz CEHZRSROEGAUHM-MRXNPFEDSA-N 2 0 370.542 0.705 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[NH+](C)C)c1 ZINC000418867612 489765406 /nfs/dbraw/zinc/76/54/06/489765406.db2.gz UXPQEMUWISULSC-JZXOWHBKSA-N 2 0 374.485 0.767 10 0 FCAERP C[C@@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418876374 489769452 /nfs/dbraw/zinc/76/94/52/489769452.db2.gz GJYUUKBIVMADFM-AIANPOQGSA-N 2 0 350.507 0.870 10 0 FCAERP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000418879865 489772593 /nfs/dbraw/zinc/77/25/93/489772593.db2.gz UNDACODDHQDOED-YJBOKZPZSA-N 2 0 360.502 0.861 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418881389 489773319 /nfs/dbraw/zinc/77/33/19/489773319.db2.gz XHHJCMXAJZPTJO-HCXYKTFWSA-N 2 0 372.513 0.780 10 0 FCAERP CN1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418899188 489781360 /nfs/dbraw/zinc/78/13/60/489781360.db2.gz BPRZMDKVQHSPOP-LSDHHAIUSA-N 2 0 352.385 0.258 10 0 FCAERP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC([NH2+]C)CC1)c1ccco1 ZINC000418937137 489796568 /nfs/dbraw/zinc/79/65/68/489796568.db2.gz FMQNSJFDHNEVKG-OAHLLOKOSA-N 2 0 350.463 0.989 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[C@@H](C)C[NH2+]1 ZINC000418959611 489804586 /nfs/dbraw/zinc/80/45/86/489804586.db2.gz HPVOTSZVCHWAKM-OLZOCXBDSA-N 2 0 350.438 0.712 10 0 FCAERP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419993574 489875712 /nfs/dbraw/zinc/87/57/12/489875712.db2.gz GMHXMIBFNZQYOS-AWEZNQCLSA-N 2 0 352.504 0.897 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000420038926 489889950 /nfs/dbraw/zinc/88/99/50/489889950.db2.gz NJLQKJSKXGBHSU-APIJFGDWSA-N 2 0 354.495 0.595 10 0 FCAERP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000420069193 489902690 /nfs/dbraw/zinc/90/26/90/489902690.db2.gz VMPGKAYZUVZVNV-DOTOQJQBSA-N 2 0 350.507 0.955 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000420093706 489909127 /nfs/dbraw/zinc/90/91/27/489909127.db2.gz CZTNUIFBDYHYAO-XHSDSOJGSA-N 2 0 354.495 0.060 10 0 FCAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420100760 489912387 /nfs/dbraw/zinc/91/23/87/489912387.db2.gz KVXZCBQNIDWIRO-WMZOPIPTSA-N 2 0 358.486 0.835 10 0 FCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000420111738 489916442 /nfs/dbraw/zinc/91/64/42/489916442.db2.gz CXLOCEIZVMVGPY-WMLDXEAASA-N 2 0 364.465 0.830 10 0 FCAERP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000420125854 489920841 /nfs/dbraw/zinc/92/08/41/489920841.db2.gz PXWDIUSPPCLCKH-IAGOWNOFSA-N 2 0 367.538 0.249 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000420130143 489923106 /nfs/dbraw/zinc/92/31/06/489923106.db2.gz XROXRCYREJBGPH-HIFRSBDPSA-N 2 0 352.504 0.753 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000477625016 489979595 /nfs/dbraw/zinc/97/95/95/489979595.db2.gz GMHQVJFBMWRFNS-KRWDZBQOSA-N 2 0 368.522 0.452 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+](CCOC)CC2)[C@@H](C)C1 ZINC000477645736 489980938 /nfs/dbraw/zinc/98/09/38/489980938.db2.gz NULKFFBEGCEWEM-RDJZCZTQSA-N 2 0 368.522 0.402 10 0 FCAERP COC1([C@@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCOCC1 ZINC000421040069 490045741 /nfs/dbraw/zinc/04/57/41/490045741.db2.gz WLHFFCHVEPAVRT-IAGOWNOFSA-N 2 0 371.522 0.633 10 0 FCAERP CC1=CC[N@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000545151161 490084987 /nfs/dbraw/zinc/08/49/87/490084987.db2.gz DBPPRQDJUNTHFM-UHFFFAOYSA-N 2 0 365.522 0.880 10 0 FCAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000571304031 491299313 /nfs/dbraw/zinc/29/93/13/491299313.db2.gz SVDIPYJXPAMJQM-INIZCTEOSA-N 2 0 365.522 0.986 10 0 FCAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000556170926 491300111 /nfs/dbraw/zinc/30/01/11/491300111.db2.gz MGPOHLZOGHSWTC-QGZVFWFLSA-N 2 0 368.522 0.548 10 0 FCAERP C[C@@H]1C[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000379662547 490126514 /nfs/dbraw/zinc/12/65/14/490126514.db2.gz IXQOMBOSLJIIGA-NXHRZFHOSA-N 2 0 367.515 0.947 10 0 FCAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000422097319 490149231 /nfs/dbraw/zinc/14/92/31/490149231.db2.gz IXPXSFNUPNWDLB-QGZVFWFLSA-N 2 0 350.507 0.873 10 0 FCAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556202544 491303126 /nfs/dbraw/zinc/30/31/26/491303126.db2.gz OOKYMYIKVCNERM-RKVPGOIHSA-N 2 0 370.563 0.919 10 0 FCAERP C[C@@H]1C[C@@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C[N@@H+]1Cc1ccccc1 ZINC000398134701 490166203 /nfs/dbraw/zinc/16/62/03/490166203.db2.gz KTHLDYFUOOTQDB-DJIMGWMZSA-N 2 0 353.488 0.557 10 0 FCAERP Cn1nc2c(c1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCCC2 ZINC000520915815 490206246 /nfs/dbraw/zinc/20/62/46/490206246.db2.gz HOUMOUDMAORLCS-UHFFFAOYSA-N 2 0 350.511 0.934 10 0 FCAERP CCOC(=O)c1cnc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1C ZINC000564549042 491313154 /nfs/dbraw/zinc/31/31/54/491313154.db2.gz ONTVCFKRLUWJTJ-UHFFFAOYSA-N 2 0 354.455 0.554 10 0 FCAERP C[C@@H](C(=O)N1CC[NH+]2CCC1CC2)[C@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000507872052 490273993 /nfs/dbraw/zinc/27/39/93/490273993.db2.gz BOQFFNZFPYRIQQ-IYBDPMFKSA-N 2 0 362.518 0.872 10 0 FCAERP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000507925824 490278410 /nfs/dbraw/zinc/27/84/10/490278410.db2.gz SMEZFKFCBFFYOL-MGNMYUMUSA-N 2 0 350.507 0.966 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(OC)n(C)n1 ZINC000547839530 490365436 /nfs/dbraw/zinc/36/54/36/490365436.db2.gz JRGUMPBDCDKTNR-AWEZNQCLSA-N 2 0 352.483 1.309 10 0 FCAERP CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000484645534 490452755 /nfs/dbraw/zinc/45/27/55/490452755.db2.gz WBEYLXQJMKBUPE-BRWVUGGUSA-N 2 0 357.495 0.243 10 0 FCAERP C[NH+]1CCC(C[NH2+]C[C@H](O)CN2CCOCC2)(N2CCCCC2)CC1 ZINC000564853379 491331110 /nfs/dbraw/zinc/33/11/10/491331110.db2.gz BIRUXXWUQHHCOM-SFHVURJKSA-N 2 0 354.539 0.219 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCCN(c3cccc(F)c3)C2)CC1 ZINC000564853399 491331477 /nfs/dbraw/zinc/33/14/77/491331477.db2.gz BXMXLEGWTAVFJT-HKUYNNGSSA-N 2 0 350.482 0.992 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)c1cccs1 ZINC000422955062 490504950 /nfs/dbraw/zinc/50/49/50/490504950.db2.gz KRBWPWZQZVGQIV-ZDUSSCGKSA-N 2 0 350.488 0.822 10 0 FCAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000422961823 490505991 /nfs/dbraw/zinc/50/59/91/490505991.db2.gz BCMKQOIUQCJCEQ-HZPDHXFCSA-N 2 0 350.507 0.825 10 0 FCAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000422992426 490512529 /nfs/dbraw/zinc/51/25/29/490512529.db2.gz QAQKLPLYZYTNKW-CEXWTWQISA-N 2 0 360.502 0.929 10 0 FCAERP CN(C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423066649 490534527 /nfs/dbraw/zinc/53/45/27/490534527.db2.gz FCOMPIDJQYBNJY-FGTMMUONSA-N 2 0 356.470 0.397 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000527514350 490731875 /nfs/dbraw/zinc/73/18/75/490731875.db2.gz AOACQEAFZLEUJY-OAHLLOKOSA-N 2 0 362.478 0.168 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000557118794 491354209 /nfs/dbraw/zinc/35/42/09/491354209.db2.gz VUVPHYJLBHALTM-SJORKVTESA-N 2 0 368.522 0.450 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000528049099 490773170 /nfs/dbraw/zinc/77/31/70/490773170.db2.gz NJLNDTNLJYSTAC-AWEZNQCLSA-N 2 0 355.508 0.624 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000514933715 490798781 /nfs/dbraw/zinc/79/87/81/490798781.db2.gz WEIAQTWLYSRGGB-CJNGLKHVSA-N 2 0 368.428 0.268 10 0 FCAERP 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490855179 /nfs/dbraw/zinc/85/51/79/490855179.db2.gz VXTFUMQFFQFEAF-UHFFFAOYSA-N 2 0 366.510 0.212 10 0 FCAERP CN(C(=O)C(=O)NCc1ccnc(N2CCCC2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000516959076 490887541 /nfs/dbraw/zinc/88/75/41/490887541.db2.gz OFBDHQFCQUMJNS-KRWDZBQOSA-N 2 0 371.485 0.993 10 0 FCAERP COc1cccc(N2CC[C@H](C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2)c1 ZINC000572356576 491364682 /nfs/dbraw/zinc/36/46/82/491364682.db2.gz OHYYXMFJUPFBFQ-IEBWSBKVSA-N 2 0 362.518 0.719 10 0 FCAERP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000557288744 491365622 /nfs/dbraw/zinc/36/56/22/491365622.db2.gz QGHLWQCMJYUJGZ-CYGHRXIMSA-N 2 0 368.522 0.461 10 0 FCAERP CC(C)[NH+](CCNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C(C)C ZINC000668348505 493336154 /nfs/dbraw/zinc/33/61/54/493336154.db2.gz VNIUKOWMWJOTIZ-QGZVFWFLSA-N 2 0 370.538 0.791 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000557492686 491378354 /nfs/dbraw/zinc/37/83/54/491378354.db2.gz 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[NH3+]CCc1ccccc1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000566406309 491441617 /nfs/dbraw/zinc/44/16/17/491441617.db2.gz CZPFSWGATAOZTR-YJBOKZPZSA-N 2 0 358.486 0.908 10 0 FCAERP O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000566724860 491462916 /nfs/dbraw/zinc/46/29/16/491462916.db2.gz IXEWSYYHOULKFW-IBGZPJMESA-N 2 0 372.513 0.520 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](O)C23CCCC3)C1 ZINC000574021029 491469662 /nfs/dbraw/zinc/46/96/62/491469662.db2.gz LJVGYMYGHNKBAJ-SJORKVTESA-N 2 0 353.507 0.839 10 0 FCAERP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1(C)C ZINC000574033322 491469922 /nfs/dbraw/zinc/46/99/22/491469922.db2.gz MBZZYJVBLUYBGW-HNNXBMFYSA-N 2 0 365.474 0.771 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000574445064 491497317 /nfs/dbraw/zinc/49/73/17/491497317.db2.gz OSPXTGHFHJURLD-HXUWFJFHSA-N 2 0 374.529 0.737 10 0 FCAERP C[C@@]1(F)C[NH2+]CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000567475725 491507957 /nfs/dbraw/zinc/50/79/57/491507957.db2.gz VAAOQKLHDYYDRN-GOSISDBHSA-N 2 0 370.513 0.771 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000559905349 491508956 /nfs/dbraw/zinc/50/89/56/491508956.db2.gz VQLUVIHVQXNHSM-PBHICJAKSA-N 2 0 350.507 0.918 10 0 FCAERP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000567644331 491520518 /nfs/dbraw/zinc/52/05/18/491520518.db2.gz ONLLOXMOSLULHS-CALCHBBNSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000567708569 491524291 /nfs/dbraw/zinc/52/42/91/491524291.db2.gz RQBHYXTZZKBWQP-ROUUACIJSA-N 2 0 361.490 0.491 10 0 FCAERP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000567986784 491545226 /nfs/dbraw/zinc/54/52/26/491545226.db2.gz DAULYRARTWFBPB-UYAOXDASSA-N 3 0 364.534 0.948 10 0 FCAERP COc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1OC(F)F ZINC000575796858 491561252 /nfs/dbraw/zinc/56/12/52/491561252.db2.gz RFHBBZSUPOMQTE-AWEZNQCLSA-N 2 0 359.417 0.995 10 0 FCAERP C[C@@H]1CC2(C[N@@H+]1CCCn1c(=O)c3c(ncn3C)n(C)c1=O)CC[NH2+]CC2 ZINC000575872333 491566735 /nfs/dbraw/zinc/56/67/35/491566735.db2.gz MCCMYVSPIVGRIP-CQSZACIVSA-N 2 0 374.489 0.288 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000561121970 491576249 /nfs/dbraw/zinc/57/62/49/491576249.db2.gz PZSRJPJRZFJOIL-IRXDYDNUSA-N 2 0 366.506 0.347 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000561121503 491576318 /nfs/dbraw/zinc/57/63/18/491576318.db2.gz NUDIVPNOLPAVCH-BRWVUGGUSA-N 2 0 366.506 0.156 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000561121969 491576535 /nfs/dbraw/zinc/57/65/35/491576535.db2.gz PZSRJPJRZFJOIL-IAGOWNOFSA-N 2 0 366.506 0.347 10 0 FCAERP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000561122801 491576665 /nfs/dbraw/zinc/57/66/65/491576665.db2.gz WUJUFJCMZQJHCZ-HOTGVXAUSA-N 2 0 354.495 0.062 10 0 FCAERP COC(=O)c1cncnc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000561155903 491579321 /nfs/dbraw/zinc/57/93/21/491579321.db2.gz JAHKGBNGRLGLOP-UHFFFAOYSA-N 2 0 356.430 1.282 10 0 FCAERP COCC[N@H+](C)C[C@H](O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000576288952 491602343 /nfs/dbraw/zinc/60/23/43/491602343.db2.gz MWZUZUHDTKGPEJ-SWDXFRIISA-N 2 0 354.539 0.168 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000577652012 491640033 /nfs/dbraw/zinc/64/00/33/491640033.db2.gz YULHBLQNEPSTGZ-HOCLYGCPSA-N 2 0 353.511 0.794 10 0 FCAERP CN1CC[NH+](C[C@@H](O)CNc2cccc(C[NH+]3CCC(O)CC3)c2)CC1 ZINC000576746280 491641607 /nfs/dbraw/zinc/64/16/07/491641607.db2.gz FKWNJOCMEWUTCB-FQEVSTJZSA-N 2 0 362.518 0.664 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000569239544 491644852 /nfs/dbraw/zinc/64/48/52/491644852.db2.gz XYDGLNDVQKONNH-MRXNPFEDSA-N 2 0 353.511 0.713 10 0 FCAERP COC[C@@H](C)OC[C@@H](O)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000578523161 491679030 /nfs/dbraw/zinc/67/90/30/491679030.db2.gz OQFBCUOJKVNBPY-MSOLQXFVSA-N 2 0 357.539 0.939 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@@H+]1C ZINC000579572588 491700686 /nfs/dbraw/zinc/70/06/86/491700686.db2.gz DDNGHFZRMFJBNU-GPPPIRTASA-N 2 0 362.518 0.855 10 0 FCAERP C[C@H]1CN(Cc2cccc(CNC(=O)N3CCOC4(C[NH2+]C4)C3)c2)CCO1 ZINC000579691015 491702987 /nfs/dbraw/zinc/70/29/87/491702987.db2.gz QWYLBVDCDSXLJW-INIZCTEOSA-N 2 0 374.485 0.791 10 0 FCAERP C[C@@H]1CN(Cc2cccc(CNC(=O)N3CCOC4(C[NH2+]C4)C3)c2)CCO1 ZINC000579691018 491703015 /nfs/dbraw/zinc/70/30/15/491703015.db2.gz QWYLBVDCDSXLJW-MRXNPFEDSA-N 2 0 374.485 0.791 10 0 FCAERP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000580209108 491721649 /nfs/dbraw/zinc/72/16/49/491721649.db2.gz FPYPEEKZCZBGJQ-RDJZCZTQSA-N 2 0 350.507 0.920 10 0 FCAERP Cc1noc(C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c2ccccc2)n1 ZINC000580687607 491741514 /nfs/dbraw/zinc/74/15/14/491741514.db2.gz FZBKCSBNNBTMAI-QZTJIDSGSA-N 2 0 359.474 0.860 10 0 FCAERP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000580904047 491751145 /nfs/dbraw/zinc/75/11/45/491751145.db2.gz ZWYVKGPWERVBDM-UYAOXDASSA-N 2 0 363.502 0.832 10 0 FCAERP CC[NH+]1CCCN(C(=O)[C@@H]2C(C)[C@H]2C(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000668474283 493360821 /nfs/dbraw/zinc/36/08/21/493360821.db2.gz TYIJOIPTHCMJPL-QZTJIDSGSA-N 2 0 364.534 0.977 10 0 FCAERP COC1CCC(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000581269703 491766805 /nfs/dbraw/zinc/76/68/05/491766805.db2.gz SOSZXGJWFQVWNN-UHFFFAOYSA-N 2 0 356.511 0.260 10 0 FCAERP CC[NH+](CC)CCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000581371375 491770336 /nfs/dbraw/zinc/77/03/36/491770336.db2.gz XOKRXKDPVMAAJQ-HRCADAONSA-N 2 0 359.536 0.732 10 0 FCAERP COC(=O)c1cc(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)on1 ZINC000590593125 491780473 /nfs/dbraw/zinc/78/04/73/491780473.db2.gz KLJFQWMYSMWVTL-UHFFFAOYSA-N 2 0 364.446 0.837 10 0 FCAERP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)c(=O)n2C ZINC000581947140 491791265 /nfs/dbraw/zinc/79/12/65/491791265.db2.gz OVUYKOTYSNCRIM-CABCVRRESA-N 2 0 374.489 0.145 10 0 FCAERP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000582020343 491794783 /nfs/dbraw/zinc/79/47/83/491794783.db2.gz FLMXMANKYCAFGB-MRXNPFEDSA-N 2 0 364.490 0.054 10 0 FCAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000582296388 491806245 /nfs/dbraw/zinc/80/62/45/491806245.db2.gz HSLOQYOWTFQSJN-HUUCEWRRSA-N 2 0 351.447 0.381 10 0 FCAERP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(OC)c1OCC(N)=O ZINC000582360214 491809324 /nfs/dbraw/zinc/80/93/24/491809324.db2.gz FRRQWYFZZBTIEA-GASCZTMLSA-N 2 0 363.458 0.999 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC000583020295 491836385 /nfs/dbraw/zinc/83/63/85/491836385.db2.gz SYSCYMKCTVHHEV-KGLIPLIRSA-N 2 0 368.428 0.268 10 0 FCAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668504316 493366452 /nfs/dbraw/zinc/36/64/52/493366452.db2.gz SHWWDJWTZYFIDM-DLBZAZTESA-N 2 0 368.522 0.546 10 0 FCAERP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000583932814 491855009 /nfs/dbraw/zinc/85/50/09/491855009.db2.gz LEIAGVCOZQGGBB-GPMSIDNRSA-N 2 0 352.523 0.615 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000611637661 491863948 /nfs/dbraw/zinc/86/39/48/491863948.db2.gz LUIXVAJADWFJTF-INMHGKMJSA-N 2 0 366.506 0.297 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000611637662 491864026 /nfs/dbraw/zinc/86/40/26/491864026.db2.gz LUIXVAJADWFJTF-VYDXJSESSA-N 2 0 366.506 0.297 10 0 FCAERP Cn1cnc(CCNC(=O)C(=O)NC[C@H]2CCN2Cc2ccccc2)c1 ZINC000611947827 491884573 /nfs/dbraw/zinc/88/45/73/491884573.db2.gz IZJFHPKYMAWVDN-QGZVFWFLSA-N 2 0 355.442 0.470 10 0 FCAERP COC(=O)CCN1CCC[C@H]([NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)C1=O ZINC000595890318 491959277 /nfs/dbraw/zinc/95/92/77/491959277.db2.gz CMRSIXHRLUSVIV-IXDOHACOSA-N 2 0 367.490 0.759 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000604020572 492048883 /nfs/dbraw/zinc/04/88/83/492048883.db2.gz OLDCHOOPHCPXME-IBGZPJMESA-N 2 0 359.518 0.999 10 0 FCAERP COCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC000616407863 492129361 /nfs/dbraw/zinc/12/93/61/492129361.db2.gz KGFGYWLXFXIQRY-MRXNPFEDSA-N 2 0 361.490 0.674 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000617766320 492190448 /nfs/dbraw/zinc/19/04/48/492190448.db2.gz GIALQPKJELTJPA-HXUWFJFHSA-N 2 0 362.518 0.623 10 0 FCAERP C[C@@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000654383438 492296327 /nfs/dbraw/zinc/29/63/27/492296327.db2.gz JADAKDFNGQHDKA-ZYSHUDEJSA-N 2 0 358.486 0.894 10 0 FCAERP C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627445826 492299388 /nfs/dbraw/zinc/29/93/88/492299388.db2.gz ZHGZAKJVMLFZMZ-MRXNPFEDSA-N 2 0 350.507 0.968 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000627454366 492302040 /nfs/dbraw/zinc/30/20/40/492302040.db2.gz ODBFHTBPTNIZQQ-UHFFFAOYSA-N 2 0 352.479 0.087 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627454313 492302203 /nfs/dbraw/zinc/30/22/03/492302203.db2.gz MQIAXJBOJZARMU-QGZVFWFLSA-N 2 0 374.485 0.343 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000627462765 492305853 /nfs/dbraw/zinc/30/58/53/492305853.db2.gz CDXVRJLPIMFVKQ-IAGOWNOFSA-N 2 0 368.522 0.452 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627478039 492314759 /nfs/dbraw/zinc/31/47/59/492314759.db2.gz GMHAVJCNTPSIIJ-ARFHVFGLSA-N 2 0 354.495 0.202 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C[NH2+]1 ZINC000627481715 492316990 /nfs/dbraw/zinc/31/69/90/492316990.db2.gz HKVDWBNLUPRIBC-WMLDXEAASA-N 2 0 364.465 0.973 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C[NH2+]1 ZINC000627481714 492317139 /nfs/dbraw/zinc/31/71/39/492317139.db2.gz HKVDWBNLUPRIBC-RHSMWYFYSA-N 2 0 364.465 0.973 10 0 FCAERP CC1CCC([NH+]2CCN(C(=O)C(=O)NCCOCCC[NH3+])CC2)CC1 ZINC000627484271 492318487 /nfs/dbraw/zinc/31/84/87/492318487.db2.gz VJGVJAUEJDVTTB-UHFFFAOYSA-N 2 0 354.495 0.191 10 0 FCAERP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654550235 492319650 /nfs/dbraw/zinc/31/96/50/492319650.db2.gz LGSWDPFJFRGBOM-CEXWTWQISA-N 2 0 358.486 0.969 10 0 FCAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627499234 492323835 /nfs/dbraw/zinc/32/38/35/492323835.db2.gz DLYFJIAXGGGPMH-QWHCGFSZSA-N 2 0 366.428 0.976 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627499318 492323961 /nfs/dbraw/zinc/32/39/61/492323961.db2.gz IDDLQSBZEUVDQZ-RYQLBKOJSA-N 2 0 373.501 0.761 10 0 FCAERP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000647597043 492332264 /nfs/dbraw/zinc/33/22/64/492332264.db2.gz FKXGFEGYGHWUHW-JKSUJKDBSA-N 3 0 367.538 0.295 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-n2cnnn2)cn1 ZINC000654679512 492337898 /nfs/dbraw/zinc/33/78/98/492337898.db2.gz XFJSTFFQXMCVMB-INIZCTEOSA-N 2 0 372.477 0.545 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H](C[NH3+])c3ccccc32)CC1 ZINC000634563700 492355843 /nfs/dbraw/zinc/35/58/43/492355843.db2.gz NAUBWEXQDSKTND-MRXNPFEDSA-N 2 0 366.531 0.906 10 0 FCAERP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976976 492389810 /nfs/dbraw/zinc/38/98/10/492389810.db2.gz WNQYGUWHSWTPKO-OWCLPIDISA-N 2 0 350.507 0.824 10 0 FCAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)CC2 ZINC000642906559 492400550 /nfs/dbraw/zinc/40/05/50/492400550.db2.gz SAIOWWSMZVIDAK-TWMKSMIVSA-N 2 0 350.507 0.964 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000642985347 492410943 /nfs/dbraw/zinc/41/09/43/492410943.db2.gz BQSHRGWCTYXOJX-KBAYOESNSA-N 2 0 358.486 0.834 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1=O ZINC000655246260 492420485 /nfs/dbraw/zinc/42/04/85/492420485.db2.gz FJYHGAQJLZECML-NCOADZHNSA-N 2 0 350.507 0.776 10 0 FCAERP CC[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[C@@H]1[NH3+] ZINC000643487025 492479234 /nfs/dbraw/zinc/47/92/34/492479234.db2.gz WSYZMIRCIRNILZ-IRXDYDNUSA-N 2 0 350.507 0.907 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655915028 492487944 /nfs/dbraw/zinc/48/79/44/492487944.db2.gz KSUYIKHVLMXGCM-WDEREUQCSA-N 2 0 353.389 0.118 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655919353 492488768 /nfs/dbraw/zinc/48/87/68/492488768.db2.gz PVMQUASUMFWWEO-STQMWFEESA-N 3 0 353.433 0.934 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000649075629 492492091 /nfs/dbraw/zinc/49/20/91/492492091.db2.gz HOBIIVFHIYBLMX-HNNXBMFYSA-N 2 0 374.489 0.025 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000655970694 492500153 /nfs/dbraw/zinc/50/01/53/492500153.db2.gz KIIXISDZEGGGEJ-NXOAAHMSSA-N 2 0 365.522 0.616 10 0 FCAERP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656019546 492518933 /nfs/dbraw/zinc/51/89/33/492518933.db2.gz FUGYGCUYEJUSEO-ROUUACIJSA-N 2 0 373.501 0.811 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000656067090 492529477 /nfs/dbraw/zinc/52/94/77/492529477.db2.gz MSWSZMOLHYKWED-YESZJQIVSA-N 2 0 350.507 0.920 10 0 FCAERP C[NH+](C)[C@@H]1C[C@H](CNC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000656081656 492542133 /nfs/dbraw/zinc/54/21/33/492542133.db2.gz IEEMMZFDFGLSHP-BHYGNILZSA-N 2 0 350.507 0.633 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000656084218 492545795 /nfs/dbraw/zinc/54/57/95/492545795.db2.gz WROHLZASUVYTAD-CWLKWCNXSA-N 2 0 362.518 0.918 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656086093 492547125 /nfs/dbraw/zinc/54/71/25/492547125.db2.gz QKODSKILMXRUEO-CAOSSQGBSA-N 2 0 354.495 0.153 10 0 FCAERP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)CC(C)C ZINC000656289968 492572753 /nfs/dbraw/zinc/57/27/53/492572753.db2.gz WGSRKRHASHEWDV-YESZJQIVSA-N 2 0 368.522 0.137 10 0 FCAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656306017 492581100 /nfs/dbraw/zinc/58/11/00/492581100.db2.gz VRNZXZDBKNZYGW-IXDOHACOSA-N 2 0 366.506 0.035 10 0 FCAERP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000656342773 492604238 /nfs/dbraw/zinc/60/42/38/492604238.db2.gz DVALRYLMYQTWBA-YHUYYLMFSA-N 2 0 354.495 0.058 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1=O ZINC000650304935 492629722 /nfs/dbraw/zinc/62/97/22/492629722.db2.gz FXFASAMWDHOTBE-UHFFFAOYSA-N 2 0 366.506 0.254 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000624411781 492647178 /nfs/dbraw/zinc/64/71/78/492647178.db2.gz TXCJXORYJHVPTD-CALCHBBNSA-N 2 0 369.535 0.682 10 0 FCAERP CC1CC[NH+](CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650589508 492652215 /nfs/dbraw/zinc/65/22/15/492652215.db2.gz UALKCBHWVDBKEK-UHFFFAOYSA-N 2 0 353.511 0.524 10 0 FCAERP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000629594464 492657687 /nfs/dbraw/zinc/65/76/87/492657687.db2.gz CXNKNYBOJLUFBM-ZBFHGGJFSA-N 2 0 355.504 0.999 10 0 FCAERP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629793174 492674524 /nfs/dbraw/zinc/67/45/24/492674524.db2.gz AMRBLSGEZAJGBU-KDURUIRLSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)C2 ZINC000629805350 492681143 /nfs/dbraw/zinc/68/11/43/492681143.db2.gz YIWWYDXCFQZRJG-APMMZXSISA-N 2 0 374.529 0.920 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H](C[NH2+]C)C2)CC1 ZINC000629806076 492682114 /nfs/dbraw/zinc/68/21/14/492682114.db2.gz UHSCSZCPSUTMIY-MRXNPFEDSA-N 2 0 366.506 0.158 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000629808690 492683206 /nfs/dbraw/zinc/68/32/06/492683206.db2.gz IVZIHEVHWATRHK-JKSUJKDBSA-N 2 0 366.506 0.286 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000629809258 492683248 /nfs/dbraw/zinc/68/32/48/492683248.db2.gz OQKCNYYKJWYGMY-CVEARBPZSA-N 2 0 366.506 0.286 10 0 FCAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000629817141 492687065 /nfs/dbraw/zinc/68/70/65/492687065.db2.gz KNSHUNIFLXBYAI-INIZCTEOSA-N 2 0 368.522 0.532 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1=O ZINC000651058336 492701606 /nfs/dbraw/zinc/70/16/06/492701606.db2.gz OIJRBVYIWYOORA-UHFFFAOYSA-N 2 0 353.511 0.524 10 0 FCAERP C[NH+](C)Cc1cccc(NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000630580794 492753367 /nfs/dbraw/zinc/75/33/67/492753367.db2.gz ZDLUDEBXAGLULC-UHFFFAOYSA-N 2 0 374.489 0.923 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000644521020 492781879 /nfs/dbraw/zinc/78/18/79/492781879.db2.gz RUGWFZZMAFSKQV-AWEZNQCLSA-N 2 0 362.396 0.721 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000644529243 492782828 /nfs/dbraw/zinc/78/28/28/492782828.db2.gz FKTCWIPKFTZUIW-WBVHZDCISA-N 2 0 368.472 0.989 10 0 FCAERP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000644646139 492796379 /nfs/dbraw/zinc/79/63/79/492796379.db2.gz PMXKDWGZJICIOW-ROUUACIJSA-N 2 0 369.531 0.883 10 0 FCAERP CCN1C(=O)CO[C@H](C(=O)N[C@H](C)CC[NH+](C)C)[C@H]1c1nccn1C ZINC000625566914 492822715 /nfs/dbraw/zinc/82/27/15/492822715.db2.gz QXRZCFHZKYCBOC-SNPRPXQTSA-N 2 0 351.451 0.165 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc3c[nH+]cn3c2)cn1 ZINC000651847460 492833087 /nfs/dbraw/zinc/83/30/87/492833087.db2.gz GYHLGORIWHVMIK-UHFFFAOYSA-N 2 0 355.402 0.347 10 0 FCAERP C[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1C[NH3+] ZINC000631841097 492860006 /nfs/dbraw/zinc/86/00/06/492860006.db2.gz XXNASPQDDISLSR-IAGOWNOFSA-N 2 0 352.523 0.664 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889310 492870719 /nfs/dbraw/zinc/87/07/19/492870719.db2.gz IGFKONVQCJPFTO-KURKYZTESA-N 2 0 352.523 0.533 10 0 FCAERP CC[NH+](CC)Cc1cccc(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000631913075 492879290 /nfs/dbraw/zinc/87/92/90/492879290.db2.gz DGXYYVPFPWUQGM-KRWDZBQOSA-N 2 0 355.504 0.936 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000631916842 492882302 /nfs/dbraw/zinc/88/23/02/492882302.db2.gz ASJXDGGXYMEOJI-ZWKOTPCHSA-N 2 0 367.515 0.459 10 0 FCAERP C[NH+](C)CCOc1ccccc1CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631917556 492882428 /nfs/dbraw/zinc/88/24/28/492882428.db2.gz RQLINEHDTMXGGS-HNNXBMFYSA-N 2 0 357.476 0.035 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000645249523 492883466 /nfs/dbraw/zinc/88/34/66/492883466.db2.gz CUULXJJNWVDFBX-UHFFFAOYSA-N 2 0 368.522 0.994 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@H]1C[NH3+] ZINC000652170338 492890555 /nfs/dbraw/zinc/89/05/55/492890555.db2.gz AZCYUHHTSVBMMJ-VDHUWJSZSA-N 2 0 368.522 0.760 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000631950599 492896780 /nfs/dbraw/zinc/89/67/80/492896780.db2.gz LWAGKXNELSYMJY-JYJNAYRXSA-N 2 0 357.451 0.179 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658461022 492903501 /nfs/dbraw/zinc/90/35/01/492903501.db2.gz TYGCJDPZXVEUKA-SFHVURJKSA-N 2 0 358.486 0.739 10 0 FCAERP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000658460588 492903867 /nfs/dbraw/zinc/90/38/67/492903867.db2.gz NZLMRNQQIZCGRN-IRXDYDNUSA-N 2 0 368.522 0.498 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631993601 492906567 /nfs/dbraw/zinc/90/65/67/492906567.db2.gz VHIAOQSAQSTILT-HOTGVXAUSA-N 2 0 369.535 0.824 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@H](C[NH3+])Cc3ccccc32)CC1 ZINC000631996809 492906925 /nfs/dbraw/zinc/90/69/25/492906925.db2.gz LWCMYBLIWPNNCW-INIZCTEOSA-N 2 0 366.531 0.591 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000652291991 492907763 /nfs/dbraw/zinc/90/77/63/492907763.db2.gz RFHIKBOCDUIWTF-GOSISDBHSA-N 2 0 373.501 0.759 10 0 FCAERP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360635 492916301 /nfs/dbraw/zinc/91/63/01/492916301.db2.gz NJFRKTSFHZGVQS-ARFHVFGLSA-N 2 0 354.495 0.332 10 0 FCAERP CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000626167519 492939931 /nfs/dbraw/zinc/93/99/31/492939931.db2.gz XKUQAIGQSQTMOF-QGZVFWFLSA-N 2 0 360.568 0.664 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000645622639 492946276 /nfs/dbraw/zinc/94/62/76/492946276.db2.gz OKGPNBCZYKRNPX-WMLDXEAASA-N 2 0 360.458 0.728 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cn1 ZINC000652625560 492972656 /nfs/dbraw/zinc/97/26/56/492972656.db2.gz FRRNXHQASVRIME-UHFFFAOYSA-N 2 0 374.420 0.807 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652667531 492983155 /nfs/dbraw/zinc/98/31/55/492983155.db2.gz VUGBOKAUCFELIS-GOSISDBHSA-N 2 0 360.502 0.781 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673280 492984592 /nfs/dbraw/zinc/98/45/92/492984592.db2.gz KBBUWTXFIQUJNG-ARFHVFGLSA-N 2 0 368.522 0.435 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@H]1C[NH3+] ZINC000652682883 492989261 /nfs/dbraw/zinc/98/92/61/492989261.db2.gz XZPTZSZIJXDQIU-NVXWUHKLSA-N 2 0 368.522 0.579 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000652711821 492997559 /nfs/dbraw/zinc/99/75/59/492997559.db2.gz BEZRBUAQVHJIRE-UHFFFAOYSA-N 2 0 358.486 0.966 10 0 FCAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652711139 492997634 /nfs/dbraw/zinc/99/76/34/492997634.db2.gz LNOMLRLGBPIOPJ-UHFFFAOYSA-N 2 0 364.465 0.961 10 0 FCAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714068 492998618 /nfs/dbraw/zinc/99/86/18/492998618.db2.gz CFRXQPDKAUCLPC-UHFFFAOYSA-N 2 0 352.504 0.884 10 0 FCAERP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000626795279 493020829 /nfs/dbraw/zinc/02/08/29/493020829.db2.gz RDWZGYIBDMRWAO-CVEARBPZSA-N 2 0 358.442 0.850 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626803706 493021207 /nfs/dbraw/zinc/02/12/07/493021207.db2.gz KYVUSQWQWSQOKT-UHFFFAOYSA-N 2 0 364.446 0.144 10 0 FCAERP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C[N@@H+]1C1CC1 ZINC000626809164 493023293 /nfs/dbraw/zinc/02/32/93/493023293.db2.gz SBLXFNAPDQDTNE-WFASDCNBSA-N 2 0 358.442 0.849 10 0 FCAERP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658736390 493035795 /nfs/dbraw/zinc/03/57/95/493035795.db2.gz CUTOFMMCDNBWTF-MRXNPFEDSA-N 2 0 368.522 0.498 10 0 FCAERP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000658748539 493039649 /nfs/dbraw/zinc/03/96/49/493039649.db2.gz PVIQGXUTKGMLST-DLBZAZTESA-N 2 0 368.522 0.545 10 0 FCAERP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000658747159 493039932 /nfs/dbraw/zinc/03/99/32/493039932.db2.gz APTQOKPWSULXMD-QGZVFWFLSA-N 2 0 368.522 0.545 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000626909226 493059928 /nfs/dbraw/zinc/05/99/28/493059928.db2.gz ISCWOOCJZXUWGY-WMLDXEAASA-N 2 0 359.474 0.239 10 0 FCAERP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000653046214 493064607 /nfs/dbraw/zinc/06/46/07/493064607.db2.gz OJGSWWRAQSZIAA-CABCVRRESA-N 2 0 352.460 0.393 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000632703217 493067365 /nfs/dbraw/zinc/06/73/65/493067365.db2.gz TZHKJRIGTGOOJN-UHFFFAOYSA-N 2 0 350.507 0.873 10 0 FCAERP CN(C)C1(CS(=O)(=O)N2CCN(CCc3cnccn3)CC2)CC1 ZINC000632713006 493069126 /nfs/dbraw/zinc/06/91/26/493069126.db2.gz KCMZPEOVRINCQW-UHFFFAOYSA-N 2 0 353.492 0.061 10 0 FCAERP O=C([C@@H]1CC[C@H]1C(=O)N1CC[NH+]2CCC1CC2)N1CC[NH+]2CCC1CC2 ZINC000632714775 493071561 /nfs/dbraw/zinc/07/15/61/493071561.db2.gz GVZIHOFDVIHQHZ-QZTJIDSGSA-N 2 0 360.502 0.626 10 0 FCAERP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000626974128 493072674 /nfs/dbraw/zinc/07/26/74/493072674.db2.gz PMRIOEZIQBPQMN-KDURUIRLSA-N 2 0 365.522 0.570 10 0 FCAERP CCCC[N@H+](C)CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626976461 493073141 /nfs/dbraw/zinc/07/31/41/493073141.db2.gz DWLJJNVSWVHFFY-UHFFFAOYSA-N 2 0 354.499 0.071 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000626988710 493075666 /nfs/dbraw/zinc/07/56/66/493075666.db2.gz KETJKEZAHWPRSN-UHFFFAOYSA-N 2 0 369.554 0.814 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646639177 493076482 /nfs/dbraw/zinc/07/64/82/493076482.db2.gz HELIMJYOSOCSAO-IRXDYDNUSA-N 2 0 350.507 0.921 10 0 FCAERP [NH3+]C1(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCOCC1 ZINC000627002314 493078442 /nfs/dbraw/zinc/07/84/42/493078442.db2.gz PSLPHKZYCXILOS-JKSUJKDBSA-N 2 0 354.495 0.561 10 0 FCAERP [NH3+]C1(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCOCC1 ZINC000627011576 493080514 /nfs/dbraw/zinc/08/05/14/493080514.db2.gz DSNADCFUJNISBM-KRWDZBQOSA-N 2 0 362.474 0.560 10 0 FCAERP [NH3+]CCCOCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000627011658 493080555 /nfs/dbraw/zinc/08/05/55/493080555.db2.gz HIPQIGGZVZWODS-KRWDZBQOSA-N 2 0 350.463 0.418 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)C[C@H]1C[NH3+] ZINC000653246939 493086184 /nfs/dbraw/zinc/08/61/84/493086184.db2.gz FCCSSRGZYFHQQM-WCXIOVBPSA-N 2 0 366.506 0.141 10 0 FCAERP C[C@@]1(CNC(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CCC[NH2+]C1 ZINC000627085827 493086714 /nfs/dbraw/zinc/08/67/14/493086714.db2.gz XDFQUNFLJBULAH-IEBWSBKVSA-N 2 0 361.490 0.971 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CCC4(CC[NH2+]C4)CC3)cn2)CC1 ZINC000633002195 493101778 /nfs/dbraw/zinc/10/17/78/493101778.db2.gz HIMYQTWMCSABPB-UHFFFAOYSA-N 2 0 374.489 0.690 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CCO1 ZINC000658926460 493112248 /nfs/dbraw/zinc/11/22/48/493112248.db2.gz CCBCWYAZJDNKMR-YESZJQIVSA-N 2 0 366.506 0.108 10 0 FCAERP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633082323 493117378 /nfs/dbraw/zinc/11/73/78/493117378.db2.gz POHWPERSHYEGAB-MRXNPFEDSA-N 2 0 367.538 0.201 10 0 FCAERP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633082322 493117775 /nfs/dbraw/zinc/11/77/75/493117775.db2.gz POHWPERSHYEGAB-INIZCTEOSA-N 2 0 367.538 0.201 10 0 FCAERP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633094666 493122824 /nfs/dbraw/zinc/12/28/24/493122824.db2.gz LLWFVBNCONPNEJ-JKSUJKDBSA-N 2 0 366.506 0.428 10 0 FCAERP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)n2)CC1 ZINC000627262235 493122916 /nfs/dbraw/zinc/12/29/16/493122916.db2.gz JZQGBHRXIGNYBH-CVEARBPZSA-N 2 0 359.474 0.115 10 0 FCAERP [NH3+]C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(F)(F)F ZINC000659025263 493127066 /nfs/dbraw/zinc/12/70/66/493127066.db2.gz PMKFYYQOQHUAHA-ZIAGYGMSSA-N 2 0 360.380 0.942 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000633113512 493131939 /nfs/dbraw/zinc/13/19/39/493131939.db2.gz POGHTUUEASKVNW-CRAIPNDOSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627303115 493142402 /nfs/dbraw/zinc/14/24/02/493142402.db2.gz HVQBGKDXTXRFLX-CGTJXYLNSA-N 2 0 358.486 0.881 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000627306423 493143803 /nfs/dbraw/zinc/14/38/03/493143803.db2.gz YVCSXUDOXRTEOT-YLFCFFPRSA-N 2 0 366.506 0.127 10 0 FCAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000659081619 493144134 /nfs/dbraw/zinc/14/41/34/493144134.db2.gz XGZIIHGMYUVUPP-ZWKOTPCHSA-N 2 0 370.453 0.759 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000627311706 493145867 /nfs/dbraw/zinc/14/58/67/493145867.db2.gz FSFNNQKLTIQJPQ-GJZGRUSLSA-N 2 0 356.511 0.211 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627314890 493148556 /nfs/dbraw/zinc/14/85/56/493148556.db2.gz PSJKAJODQJHBHF-GOEBONIOSA-N 2 0 354.495 0.249 10 0 FCAERP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627325552 493154881 /nfs/dbraw/zinc/15/48/81/493154881.db2.gz NQPHXYQFRPRENC-KRWDZBQOSA-N 2 0 374.485 0.644 10 0 FCAERP Cc1ccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)c(OCC[NH+](C)C)c1 ZINC000659106520 493155915 /nfs/dbraw/zinc/15/59/15/493155915.db2.gz RYTOCSFYKOUHBX-UHFFFAOYSA-N 2 0 360.458 0.742 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000627334823 493158758 /nfs/dbraw/zinc/15/87/58/493158758.db2.gz BNOLONVSADPGOU-FHLIZLRMSA-N 2 0 373.501 0.980 10 0 FCAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627334856 493159019 /nfs/dbraw/zinc/15/90/19/493159019.db2.gz CNUDSAUYIVAILM-RKVPGOIHSA-N 2 0 373.501 0.980 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000627338689 493161293 /nfs/dbraw/zinc/16/12/93/493161293.db2.gz NLVKFLTUUJGNFT-DLBZAZTESA-N 2 0 359.474 0.419 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000627339114 493161649 /nfs/dbraw/zinc/16/16/49/493161649.db2.gz ZJLANQQULGQGLM-SUMWQHHRSA-N 2 0 362.449 0.773 10 0 FCAERP CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[NH+]1CCC(C)CC1 ZINC000627351163 493169241 /nfs/dbraw/zinc/16/92/41/493169241.db2.gz KSNXRRJCSUPYFT-MRXNPFEDSA-N 2 0 368.522 0.483 10 0 FCAERP CC1(C)C(=O)N[C@H]1C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000653707347 493171229 /nfs/dbraw/zinc/17/12/29/493171229.db2.gz WEIAYWQQRUHYQJ-SFHVURJKSA-N 2 0 362.518 0.966 10 0 FCAERP CC[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000627357635 493174362 /nfs/dbraw/zinc/17/43/62/493174362.db2.gz LLEZLOSFQVXWGV-JCGIZDLHSA-N 2 0 358.486 0.806 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)c1ccc(F)cc1 ZINC000627357583 493174380 /nfs/dbraw/zinc/17/43/80/493174380.db2.gz KDTIQKLKHZTKPV-OAHLLOKOSA-N 2 0 366.437 0.169 10 0 FCAERP C[NH+]1CCN(c2cc(CNC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)ccn2)CC1 ZINC000659432930 493176582 /nfs/dbraw/zinc/17/65/82/493176582.db2.gz VGSPWEURCCTVFF-HUUCEWRRSA-N 2 0 350.442 0.414 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[NH2+]1 ZINC000627381119 493189923 /nfs/dbraw/zinc/18/99/23/493189923.db2.gz IUJRINIXBJGAHM-ZBFHGGJFSA-N 2 0 359.474 0.671 10 0 FCAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000659352640 493196350 /nfs/dbraw/zinc/19/63/50/493196350.db2.gz OJJFHDSEPWCDEI-HOTGVXAUSA-N 2 0 358.446 0.511 10 0 FCAERP CN(C(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659364707 493198096 /nfs/dbraw/zinc/19/80/96/493198096.db2.gz OLNUQHHBKXVLHJ-DLBZAZTESA-N 2 0 364.490 0.005 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627392913 493200298 /nfs/dbraw/zinc/20/02/98/493200298.db2.gz JHUOMDIHWMUANC-KGLIPLIRSA-N 2 0 354.495 0.249 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000627397192 493202403 /nfs/dbraw/zinc/20/24/03/493202403.db2.gz GUPNVVAUAUHQKA-UHFFFAOYSA-N 2 0 368.522 0.644 10 0 FCAERP Cc1cc(NCCNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)nc(C(C)C)n1 ZINC000627403239 493204008 /nfs/dbraw/zinc/20/40/08/493204008.db2.gz BVSMRBLVEWLZFD-CQSZACIVSA-N 2 0 362.478 0.695 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000627404789 493204709 /nfs/dbraw/zinc/20/47/09/493204709.db2.gz OAOASAJAKLQKMV-CABCVRRESA-N 2 0 352.479 0.086 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000627417615 493209375 /nfs/dbraw/zinc/20/93/75/493209375.db2.gz CKGFOJILXFJOAB-HZPDHXFCSA-N 2 0 366.506 0.204 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000627420280 493209812 /nfs/dbraw/zinc/20/98/12/493209812.db2.gz DAMDDNKEHXIQNP-JKSUJKDBSA-N 2 0 366.506 0.333 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000627421736 493211020 /nfs/dbraw/zinc/21/10/20/493211020.db2.gz RMSXUXJERHXCRF-CABCVRRESA-N 2 0 354.495 0.332 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]2C[NH2+]CCO2)cc1F ZINC000659555202 493211254 /nfs/dbraw/zinc/21/12/54/493211254.db2.gz PBDMLRCRUTUECL-YCPHGPKFSA-N 2 0 366.437 0.567 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000659676890 493246350 /nfs/dbraw/zinc/24/63/50/493246350.db2.gz KTCULMKMFVYRFT-SJXGUFTOSA-N 2 0 354.470 0.653 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000659679100 493247043 /nfs/dbraw/zinc/24/70/43/493247043.db2.gz RMIYRSAYVQMCDC-OIISXLGYSA-N 2 0 350.507 0.824 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000659683046 493249741 /nfs/dbraw/zinc/24/97/41/493249741.db2.gz SAHZTXQHGQZBEP-FPCVCCKLSA-N 2 0 372.485 0.137 10 0 FCAERP CC(C)[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[NH+]1CCCCCC1 ZINC000659685108 493252047 /nfs/dbraw/zinc/25/20/47/493252047.db2.gz MUFLKLMJMNEEBM-WUJZJPHMSA-N 2 0 350.507 0.871 10 0 FCAERP CC(C)[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[NH+]1CCCCCC1 ZINC000659686452 493252712 /nfs/dbraw/zinc/25/27/12/493252712.db2.gz YWQURPAERFLIIO-WUJZJPHMSA-N 2 0 350.507 0.953 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC000667039801 493253162 /nfs/dbraw/zinc/25/31/62/493253162.db2.gz WNBGNXIIWPUZAX-MRXNPFEDSA-N 2 0 368.526 0.411 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659693732 493257079 /nfs/dbraw/zinc/25/70/79/493257079.db2.gz JYKPPUKQYJCEQL-BQSYYEAHSA-N 2 0 370.497 0.881 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659695339 493257469 /nfs/dbraw/zinc/25/74/69/493257469.db2.gz YUBPVAYEFOVUQB-BQSYYEAHSA-N 2 0 370.497 0.963 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659700167 493261324 /nfs/dbraw/zinc/26/13/24/493261324.db2.gz COKGVFBDJDAWRS-MWQQHZPXSA-N 2 0 362.449 0.521 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)[N@H+](C)C1CC1 ZINC000659702287 493262853 /nfs/dbraw/zinc/26/28/53/493262853.db2.gz ODFDDSBZEPPKNN-ZBFHGGJFSA-N 2 0 350.507 0.824 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000659704413 493263066 /nfs/dbraw/zinc/26/30/66/493263066.db2.gz ONOURLYWTDZTBX-OAHLLOKOSA-N 2 0 370.563 0.954 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659704737 493263655 /nfs/dbraw/zinc/26/36/55/493263655.db2.gz SMEHGTRCXVANBP-QGZVFWFLSA-N 2 0 368.522 0.309 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[N@@H+]1Cc1ccccc1 ZINC000659707582 493264986 /nfs/dbraw/zinc/26/49/86/493264986.db2.gz YINOXIQOZZLUJX-DSRNLFJRSA-N 2 0 356.470 0.715 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[N@@H+]1Cc1ccccc1 ZINC000659707583 493265164 /nfs/dbraw/zinc/26/51/64/493265164.db2.gz YINOXIQOZZLUJX-IKNQFMJRSA-N 2 0 356.470 0.715 10 0 FCAERP CC[NH2+]CCCNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659709691 493267024 /nfs/dbraw/zinc/26/70/24/493267024.db2.gz IAYRCJLXTDCOSN-UHFFFAOYSA-N 2 0 354.495 0.109 10 0 FCAERP O=C(NCC1C[NH2+]C1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659715146 493269118 /nfs/dbraw/zinc/26/91/18/493269118.db2.gz SGLUZCIAJJXMIO-SFHVURJKSA-N 2 0 370.497 0.741 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCO1 ZINC000659717373 493269421 /nfs/dbraw/zinc/26/94/21/493269421.db2.gz GOXQSABGUJIZED-IAGOWNOFSA-N 2 0 368.522 0.579 10 0 FCAERP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000659716500 493269707 /nfs/dbraw/zinc/26/97/07/493269707.db2.gz WSKWWYINXNMRSC-HZPDHXFCSA-N 2 0 366.506 0.380 10 0 FCAERP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000659716497 493269844 /nfs/dbraw/zinc/26/98/44/493269844.db2.gz WSKWWYINXNMRSC-HOTGVXAUSA-N 2 0 366.506 0.380 10 0 FCAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742937 493282059 /nfs/dbraw/zinc/28/20/59/493282059.db2.gz WNXNCKPEIUNRJF-MPQSDHOMSA-N 2 0 370.497 0.835 10 0 FCAERP CCC(CC)[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[NH+]1CCCC1 ZINC000659742421 493282152 /nfs/dbraw/zinc/28/21/52/493282152.db2.gz GQBBIHYAQZEYPJ-RCDNUKIMSA-N 2 0 350.507 0.871 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000659743351 493282792 /nfs/dbraw/zinc/28/27/92/493282792.db2.gz YRTCOKHVXCYTFW-USXIJHARSA-N 2 0 350.507 0.951 10 0 FCAERP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673178810 493299873 /nfs/dbraw/zinc/29/98/73/493299873.db2.gz LZYQQAULIFEUIK-UHFFFAOYSA-N 2 0 371.485 0.863 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000673326090 493316994 /nfs/dbraw/zinc/31/69/94/493316994.db2.gz GNNPQVMMVXBRNX-NXHRZFHOSA-N 2 0 358.486 0.976 10 0 FCAERP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000673863595 493368581 /nfs/dbraw/zinc/36/85/81/493368581.db2.gz IASOUYPJABAOOI-CQSZACIVSA-N 2 0 371.445 0.976 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000660652941 493369725 /nfs/dbraw/zinc/36/97/25/493369725.db2.gz MVWVGVFJOWWUTG-QUCCMNQESA-N 2 0 366.550 0.877 10 0 FCAERP CCN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CC[N@H+](CC)C1 ZINC000668526657 493370959 /nfs/dbraw/zinc/37/09/59/493370959.db2.gz LRVPOSKUMACLDX-YOEHRIQHSA-N 2 0 356.536 0.483 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCSC1 ZINC000668527464 493371247 /nfs/dbraw/zinc/37/12/47/493371247.db2.gz WFPKJOHWYOZAJB-GUYCJALGSA-N 2 0 356.536 0.529 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000668549301 493374858 /nfs/dbraw/zinc/37/48/58/493374858.db2.gz WWHNONRPRUYMBK-WBVHZDCISA-N 2 0 366.506 0.156 10 0 FCAERP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000668610252 493383715 /nfs/dbraw/zinc/38/37/15/493383715.db2.gz RCUATLBCLRRKEG-MSOLQXFVSA-N 2 0 360.502 0.876 10 0 FCAERP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668625377 493386657 /nfs/dbraw/zinc/38/66/57/493386657.db2.gz ORSWVZYBTHELFU-JKSUJKDBSA-N 2 0 356.511 0.402 10 0 FCAERP CC[N@H+](CCNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1CC1 ZINC000668776787 493408479 /nfs/dbraw/zinc/40/84/79/493408479.db2.gz HEIXBULDNNNXFI-INIZCTEOSA-N 2 0 354.495 0.156 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](CCCOC)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000668789545 493411093 /nfs/dbraw/zinc/41/10/93/493411093.db2.gz YNAHSYGSPMJZPG-KRWDZBQOSA-N 2 0 368.522 0.546 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](Cn3ccnn3)C2)C1 ZINC000661146371 493412765 /nfs/dbraw/zinc/41/27/65/493412765.db2.gz KMCXLQLAVODXQP-IAGOWNOFSA-N 2 0 364.494 0.073 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000669274859 493488356 /nfs/dbraw/zinc/48/83/56/493488356.db2.gz UTYRIFAHZRVIRN-BRWVUGGUSA-N 2 0 366.506 0.033 10 0 FCAERP CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000675607257 493494625 /nfs/dbraw/zinc/49/46/25/493494625.db2.gz DJZVXICRAUMUQV-UHFFFAOYSA-N 2 0 364.494 0.764 10 0 FCAERP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662251410 493500191 /nfs/dbraw/zinc/50/01/91/493500191.db2.gz BTHJEDLUVHNVMR-QGZVFWFLSA-N 3 0 366.550 0.923 10 0 FCAERP c1ccc(N2CC[NH+](C[C@@H]3CCCN(C[C@@H]4C[NH2+]CCO4)C3)CC2)nc1 ZINC000662264646 493501474 /nfs/dbraw/zinc/50/14/74/493501474.db2.gz RYQAOASYXQLWSJ-OALUTQOASA-N 2 0 359.518 0.904 10 0 FCAERP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297190 493504737 /nfs/dbraw/zinc/50/47/37/493504737.db2.gz OHDCMARSVFTBKO-HOCLYGCPSA-N 2 0 350.507 0.824 10 0 FCAERP [NH3+]C1(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCCCCC1 ZINC000669486496 493506183 /nfs/dbraw/zinc/50/61/83/493506183.db2.gz QKNOZLWETFOVQM-QGZVFWFLSA-N 2 0 367.538 0.744 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000662329731 493506963 /nfs/dbraw/zinc/50/69/63/493506963.db2.gz PHSQGAFYHLUTMA-STQMWFEESA-N 2 0 354.417 0.281 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662437163 493515119 /nfs/dbraw/zinc/51/51/19/493515119.db2.gz NAJKNZZDTXYKLN-UKRRQHHQSA-N 2 0 362.478 0.159 10 0 FCAERP CC(C)OC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000662444506 493516229 /nfs/dbraw/zinc/51/62/29/493516229.db2.gz HWZHRASRCOEBNQ-INIZCTEOSA-N 2 0 364.494 0.247 10 0 FCAERP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662861263 493547838 /nfs/dbraw/zinc/54/78/38/493547838.db2.gz ZGPMMQNZIAOMJV-MSOLQXFVSA-N 2 0 374.485 0.128 10 0 FCAERP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662860905 493547968 /nfs/dbraw/zinc/54/79/68/493547968.db2.gz VIDHCRJORUZADW-DLBZAZTESA-N 2 0 369.469 0.983 10 0 FCAERP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000662860908 493548052 /nfs/dbraw/zinc/54/80/52/493548052.db2.gz VIDHCRJORUZADW-SJORKVTESA-N 2 0 369.469 0.983 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)o1 ZINC000662926715 493554337 /nfs/dbraw/zinc/55/43/37/493554337.db2.gz VLVWUWQONDQTNB-HUUCEWRRSA-N 2 0 354.426 0.376 10 0 FCAERP O=C(C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000662930616 493555575 /nfs/dbraw/zinc/55/55/75/493555575.db2.gz SPUJDXGULVSIGX-MSOLQXFVSA-N 2 0 362.518 0.921 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662943062 493558054 /nfs/dbraw/zinc/55/80/54/493558054.db2.gz RPSWCYRWPLEDIU-OAHLLOKOSA-N 2 0 364.412 0.635 10 0 FCAERP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000662948152 493559546 /nfs/dbraw/zinc/55/95/46/493559546.db2.gz GINVIWHCHVPARQ-GOEBONIOSA-N 2 0 354.495 0.141 10 0 FCAERP CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[C@H]1[NH3+] ZINC000662950489 493559852 /nfs/dbraw/zinc/55/98/52/493559852.db2.gz MDMFPCODMIVFPR-BZUAXINKSA-N 2 0 354.495 0.141 10 0 FCAERP C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)[C@@H]1C[NH3+] ZINC000662957231 493560534 /nfs/dbraw/zinc/56/05/34/493560534.db2.gz GORSNICHIBBFLG-BZUAXINKSA-N 2 0 354.495 0.141 10 0 FCAERP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCC3CCCCC3)C2)CC1 ZINC000670480943 493572949 /nfs/dbraw/zinc/57/29/49/493572949.db2.gz ZXOMQSKTZMPSCN-MRXNPFEDSA-N 2 0 350.507 0.968 10 0 FCAERP C[C@@H]1C[NH+](CCCNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C[C@@H](C)O1 ZINC000663550660 493596632 /nfs/dbraw/zinc/59/66/32/493596632.db2.gz CYYNOULJOPMYIH-JFIYKMOQSA-N 2 0 368.522 0.726 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671099272 493632789 /nfs/dbraw/zinc/63/27/89/493632789.db2.gz BALIOHGVLNAQIX-IRXDYDNUSA-N 2 0 350.507 0.968 10 0 FCAERP CCN(C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000664141751 493639836 /nfs/dbraw/zinc/63/98/36/493639836.db2.gz BWYQYEOOUOGDEV-SJORKVTESA-N 2 0 353.511 0.129 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)N1CCc2sccc2C1 ZINC000671150750 493643720 /nfs/dbraw/zinc/64/37/20/493643720.db2.gz IPEGGLZCDVIKPO-ZFWWWQNUSA-N 2 0 364.515 0.821 10 0 FCAERP C[NH+](C)[C@@]1(CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCSC1 ZINC000664310509 493651928 /nfs/dbraw/zinc/65/19/28/493651928.db2.gz HXCJJYDXQXLQIL-NVXWUHKLSA-N 2 0 356.536 0.664 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000665760094 493733185 /nfs/dbraw/zinc/73/31/85/493733185.db2.gz ZDRNYBGTARIVSV-KRWDZBQOSA-N 2 0 369.554 0.765 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000672164360 493739508 /nfs/dbraw/zinc/73/95/08/493739508.db2.gz YPQREROQGXFVEJ-IXDOHACOSA-N 2 0 368.522 0.593 10 0 FCAERP CN1CC[NH+](CCC(C)(C)NC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000681178975 493749061 /nfs/dbraw/zinc/74/90/61/493749061.db2.gz DOCMPQMAENBHIN-UHFFFAOYSA-N 2 0 365.526 0.982 10 0 FCAERP Cn1ccnc1CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@H]1CC12CC[NH2+]CC2 ZINC000262072950 527430385 /nfs/dbraw/zinc/43/03/85/527430385.db2.gz CRHRETCQXDFKCJ-CABCVRRESA-N 2 0 363.531 0.986 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)CC1 ZINC000413326833 528961792 /nfs/dbraw/zinc/96/17/92/528961792.db2.gz WWHQLPSUHMKSHW-INIZCTEOSA-N 2 0 354.495 0.855 10 0 FCAERP COCCOc1cc2c(cc1C[NH2+]CCCN1CC[NH2+]CC1)OCO2 ZINC000414784532 536602621 /nfs/dbraw/zinc/60/26/21/536602621.db2.gz SNUSNTOALFHTNG-UHFFFAOYSA-N 2 0 351.447 0.825 10 0 FCAERP CCCN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CC(=O)N(C)C1=O ZINC000548925604 547065032 /nfs/dbraw/zinc/06/50/32/547065032.db2.gz NLYGUJXZJSGVQN-HNNXBMFYSA-N 2 0 350.463 0.199 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)C(=O)NCCC[NH+]1CCCCC1 ZINC000551164009 547130023 /nfs/dbraw/zinc/13/00/23/547130023.db2.gz IARWXVMBKZLCSQ-UHFFFAOYSA-N 2 0 354.495 0.207 10 0 FCAERP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000551712855 547159854 /nfs/dbraw/zinc/15/98/54/547159854.db2.gz MDUIHHCAFACHAT-RDJZCZTQSA-N 2 0 369.531 0.739 10 0 FCAERP Cc1csc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000553422948 547278721 /nfs/dbraw/zinc/27/87/21/547278721.db2.gz SMFNBQQFMZLVBI-CYBMUJFWSA-N 2 0 355.508 0.581 10 0 FCAERP C[C@@H]1CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1CC(C)(C)O ZINC000682049242 547393721 /nfs/dbraw/zinc/39/37/21/547393721.db2.gz FRMAOSJEXLSQAP-CQSZACIVSA-N 2 0 352.483 0.754 10 0 FCAERP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898990475 665921368 /nfs/dbraw/zinc/92/13/68/665921368.db2.gz IHEOXFJIJQGATB-IRXDYDNUSA-N 2 0 351.491 0.809 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000899230993 665933268 /nfs/dbraw/zinc/93/32/68/665933268.db2.gz RNVSSVRGXIYZAE-OKZBNKHCSA-N 2 0 352.523 0.630 10 0 FCAERP CCO[C@@H](CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C[NH+](C)C ZINC000926827012 664123799 /nfs/dbraw/zinc/12/37/99/664123799.db2.gz TUEFMGAQUUPPLF-KRWDZBQOSA-N 2 0 356.511 0.707 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896043430 665068493 /nfs/dbraw/zinc/06/84/93/665068493.db2.gz OZHFSQRXWNQPCL-MSOLQXFVSA-N 3 0 352.523 0.582 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925166252 665176399 /nfs/dbraw/zinc/17/63/99/665176399.db2.gz ZXWXEEYPFKIQIA-ARFHVFGLSA-N 2 0 356.536 0.712 10 0 FCAERP CC[NH+]1CCC(N2CCCN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)CC2)CC1 ZINC000911191110 666320961 /nfs/dbraw/zinc/32/09/61/666320961.db2.gz ZCAKXPKERAGZRY-HKUYNNGSSA-N 2 0 352.523 0.460 10 0 FCAERP CC[NH+]1CCC(N2CCCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)CC1 ZINC000911191111 666321007 /nfs/dbraw/zinc/32/10/07/666321007.db2.gz ZCAKXPKERAGZRY-IEBWSBKVSA-N 2 0 352.523 0.460 10 0 FCAERP Cc1cc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c(C)n1NC(N)=O ZINC000912302311 666430969 /nfs/dbraw/zinc/43/09/69/666430969.db2.gz AVDCNTQFNKUPMT-LBPRGKRZSA-N 2 0 352.483 0.729 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CCSC1 ZINC000921312094 666434142 /nfs/dbraw/zinc/43/41/42/666434142.db2.gz OXWHQAYBLPKVSR-WBVHZDCISA-N 2 0 356.536 0.976 10 0 FCAERP COc1ccc(C[NH+]2CCC(CNS(=O)(=O)C3C[NH2+]C3)CC2)cc1 ZINC000923595708 666631175 /nfs/dbraw/zinc/63/11/75/666631175.db2.gz NFEJRVWPNIHFDK-UHFFFAOYSA-N 2 0 353.488 0.798 10 0 FCAERP CCO[C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)C[NH+](C)C ZINC000913998014 666680451 /nfs/dbraw/zinc/68/04/51/666680451.db2.gz DQKZZCGZTOMGCL-IRXDYDNUSA-N 2 0 357.543 0.524 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccnn1CC1CCC1 ZINC000914059732 666687526 /nfs/dbraw/zinc/68/75/26/666687526.db2.gz OEPVBTUGUMSHIV-UHFFFAOYSA-N 2 0 357.524 0.797 10 0 FCAERP C[C@@H](CNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000916801620 667029584 /nfs/dbraw/zinc/02/95/84/667029584.db2.gz SMKLSWOYGFQDFG-NXOAAHMSSA-N 2 0 359.536 0.889 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000917828223 667087951 /nfs/dbraw/zinc/08/79/51/667087951.db2.gz CIEMYBIFYFZDBP-SJORKVTESA-N 2 0 354.495 0.650 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccnn2C2CCC2)C[C@H]1C[NH+](C)C ZINC000918538453 667124881 /nfs/dbraw/zinc/12/48/81/667124881.db2.gz YRGHUCIXZZNMAZ-HUUCEWRRSA-N 2 0 369.535 0.968 10 0 FCAERP C[C@@H]1[C@H](NC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000924025814 667222047 /nfs/dbraw/zinc/22/20/47/667222047.db2.gz QRYQMWPQZGDHSX-IXDOHACOSA-N 2 0 353.511 0.175 10 0 FCAERP C[NH+](C)CCOCCNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000922145193 667594953 /nfs/dbraw/zinc/59/49/53/667594953.db2.gz PPCFSTJYSXEGHR-MRXNPFEDSA-N 2 0 356.511 0.849 10 0 FCAERP C(CN1CC[NH2+]CCN(CC[C@@H]2CCC[NH2+]C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000923393956 667830702 /nfs/dbraw/zinc/83/07/02/667830702.db2.gz ANACBMZIRHUBGU-BGYRXZFFSA-N 3 0 351.583 0.973 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](O)COc1ccc(F)cc1)C2 ZINC000923429058 667833613 /nfs/dbraw/zinc/83/36/13/667833613.db2.gz NZFWYAZZTIOMNZ-AZAGILFBSA-N 2 0 352.406 0.778 10 0 FCAERP CNS(=O)(=O)c1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923447080 667836331 /nfs/dbraw/zinc/83/63/31/667836331.db2.gz PVJLXHZNDYXMAI-OAHLLOKOSA-N 2 0 353.488 0.925 10 0 FCAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC(=O)NC(=O)NC1CCCCC1)CC2 ZINC000923455331 667836985 /nfs/dbraw/zinc/83/69/85/667836985.db2.gz LDEYZHBZSAOQGP-HNNXBMFYSA-N 2 0 352.479 0.975 10 0 FCAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1nnnn1CC1CCOCC1)CC2 ZINC000923452914 667837302 /nfs/dbraw/zinc/83/73/02/667837302.db2.gz UAXWTWOWXITIIG-HNNXBMFYSA-N 2 0 350.467 0.430 10 0 FCAERP CN(C[C@@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000819064419 668976391 /nfs/dbraw/zinc/97/63/91/668976391.db2.gz XFNWCTYNQWANLY-HNNXBMFYSA-N 2 0 358.527 0.830 10 0 FCAERP [NH3+]C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1(F)F ZINC000715209209 669343112 /nfs/dbraw/zinc/34/31/12/669343112.db2.gz WNCYRDAPJVZRDY-HZPDHXFCSA-N 2 0 352.429 0.760 10 0 FCAERP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841851362 670614789 /nfs/dbraw/zinc/61/47/89/670614789.db2.gz PIHBOHGEMLDDMK-QWHCGFSZSA-N 2 0 354.838 0.797 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000843112357 670775870 /nfs/dbraw/zinc/77/58/70/670775870.db2.gz HMEXDKGRIYOUHA-JKSUJKDBSA-N 2 0 372.307 0.680 10 0 FCAERP CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867374735 670954901 /nfs/dbraw/zinc/95/49/01/670954901.db2.gz LVQUOQOVDFRLBY-BRWVUGGUSA-N 2 0 352.523 0.833 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000846212749 671090950 /nfs/dbraw/zinc/09/09/50/671090950.db2.gz FPWSQQDJPWYKQV-KKUMJFAQSA-N 2 0 354.495 0.994 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)CC[C@@H]21 ZINC000867417741 671104120 /nfs/dbraw/zinc/10/41/20/671104120.db2.gz HPLPNYHAGXLUAZ-HOTGVXAUSA-N 2 0 350.507 0.872 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849554863 671352581 /nfs/dbraw/zinc/35/25/81/671352581.db2.gz ONLAVYAGQUJBSY-IRXDYDNUSA-N 2 0 351.495 0.540 10 0 FCAERP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852883089 671529014 /nfs/dbraw/zinc/52/90/14/671529014.db2.gz GRRVEJXNHVFVBZ-KBPBESRZSA-N 2 0 354.451 0.356 10 0 FCAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc(Cl)n1 ZINC000852914268 671531778 /nfs/dbraw/zinc/53/17/78/671531778.db2.gz RIYROAUACAWPNF-CABCVRRESA-N 2 0 351.882 0.939 10 0 FCAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCS(=O)(=O)NC)C2)ccn1 ZINC000856592462 671692954 /nfs/dbraw/zinc/69/29/54/671692954.db2.gz UMAOJOHRBOQNQM-KRWDZBQOSA-N 2 0 370.519 0.926 10 0 FCAERP O=S(=O)(CCC[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562917 675945240 /nfs/dbraw/zinc/94/52/40/675945240.db2.gz YDUIRKBALDWTLT-HDICACEKSA-N 2 0 370.563 0.703 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903581689 675949266 /nfs/dbraw/zinc/94/92/66/675949266.db2.gz SKTHXVBETGIJSK-QWHCGFSZSA-N 2 0 372.457 0.165 10 0 FCAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861565405 671972695 /nfs/dbraw/zinc/97/26/95/671972695.db2.gz JJYIILAQWKPJAP-ZNMIVQPWSA-N 2 0 351.451 0.047 10 0 FCAERP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861638436 671976807 /nfs/dbraw/zinc/97/68/07/671976807.db2.gz BQTYMYDCYAFICD-CFVMTHIKSA-N 2 0 351.451 0.095 10 0 FCAERP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903719210 675963590 /nfs/dbraw/zinc/96/35/90/675963590.db2.gz JAGKFJKBTYLSNQ-VXGBXAGGSA-N 2 0 352.401 0.381 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C[C@H]1C(F)(F)F ZINC000903727241 675964297 /nfs/dbraw/zinc/96/42/97/675964297.db2.gz WRWGXQFEQWTZET-YNEHKIRRSA-N 2 0 362.396 0.421 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C[NH2+]1 ZINC000861751198 671990761 /nfs/dbraw/zinc/99/07/61/671990761.db2.gz ZWIBFRBLLAPXAD-KBMXLJTQSA-N 2 0 352.479 0.003 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)o1 ZINC000903728294 675964541 /nfs/dbraw/zinc/96/45/41/675964541.db2.gz MLVFSWGFVMOXMQ-HNNXBMFYSA-N 2 0 350.463 0.674 10 0 FCAERP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903731867 675964755 /nfs/dbraw/zinc/96/47/55/675964755.db2.gz MFFHKUZFUHGIFW-VXGBXAGGSA-N 2 0 364.412 0.667 10 0 FCAERP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903759223 675969066 /nfs/dbraw/zinc/96/90/66/675969066.db2.gz QOQDLHUQMOJXRA-VXGBXAGGSA-N 2 0 364.412 0.667 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903775505 675972136 /nfs/dbraw/zinc/97/21/36/675972136.db2.gz FNCADUFCDSBCQV-XQHKEYJVSA-N 2 0 362.396 0.277 10 0 FCAERP C[NH2+]CCN(C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000903811099 675975481 /nfs/dbraw/zinc/97/54/81/675975481.db2.gz GNOJYFPKVONCIK-MRXNPFEDSA-N 2 0 354.495 0.014 10 0 FCAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cnn1C ZINC000903873194 675979986 /nfs/dbraw/zinc/97/99/86/675979986.db2.gz MJMHZHWRKSLQNR-GJZGRUSLSA-N 2 0 357.524 0.107 10 0 FCAERP COCCCNC(=O)[C@@H](C)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903892984 675980894 /nfs/dbraw/zinc/98/08/94/675980894.db2.gz ZPALNEGQLKRRPD-CSNJMZFVSA-N 2 0 352.523 0.676 10 0 FCAERP Cc1c(C[C@@H](C[NH3+])CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cnn1C ZINC000903920935 675982878 /nfs/dbraw/zinc/98/28/78/675982878.db2.gz YARBLCOOEFFIHI-ZFWWWQNUSA-N 2 0 362.444 0.272 10 0 FCAERP C[C@@H]1CSCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867475221 672321877 /nfs/dbraw/zinc/32/18/77/672321877.db2.gz PQLXQVCWKQAAFL-RBSFLKMASA-N 2 0 356.536 0.148 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[C@@H]1C ZINC000867488649 672324458 /nfs/dbraw/zinc/32/44/58/672324458.db2.gz BEDREIVLCSPFIG-MWDXBVQZSA-N 2 0 352.523 0.689 10 0 FCAERP C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867588392 672342947 /nfs/dbraw/zinc/34/29/47/672342947.db2.gz ARAWGEBDHNZGLS-QBPKDAKJSA-N 2 0 360.568 0.880 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCC[C@H]2CCOC2)C[C@H]1C[NH+](C)C ZINC000867591208 672343904 /nfs/dbraw/zinc/34/39/04/672343904.db2.gz YWXNGCJZKCMCFI-GVDBMIGSSA-N 2 0 361.552 0.804 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCC[C@@H]2CCOC2)C[C@H]1C[NH+](C)C ZINC000867591206 672343979 /nfs/dbraw/zinc/34/39/79/672343979.db2.gz YWXNGCJZKCMCFI-BRWVUGGUSA-N 2 0 361.552 0.804 10 0 FCAERP CCSC1(CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000867675674 672354416 /nfs/dbraw/zinc/35/44/16/672354416.db2.gz JHDWRDFYVFONPG-HUUCEWRRSA-N 2 0 370.563 0.586 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C[C@H]1C[NH+](C)C ZINC000868165972 672387309 /nfs/dbraw/zinc/38/73/09/672387309.db2.gz ISJDKXYQTSYMJD-UPJWGTAASA-N 3 0 353.433 0.647 10 0 FCAERP CCCN(C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2)[C@@H]1CC[NH2+]C1 ZINC000868385893 672397664 /nfs/dbraw/zinc/39/76/64/672397664.db2.gz AMYZIXFOUOXEJW-MRXNPFEDSA-N 2 0 350.507 0.921 10 0 FCAERP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000868395500 672398411 /nfs/dbraw/zinc/39/84/11/672398411.db2.gz NLQFFAUSWALTOU-INIZCTEOSA-N 2 0 350.507 0.777 10 0 FCAERP COCCn1ncc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C ZINC000870016680 672461319 /nfs/dbraw/zinc/46/13/19/672461319.db2.gz UIHXUIHERNDUAH-HZPDHXFCSA-N 2 0 351.495 0.649 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CCS(=O)(=O)C2CCCC2)C[C@H]1C[NH+](C)C ZINC000870023332 672462120 /nfs/dbraw/zinc/46/21/20/672462120.db2.gz TVABFDHTIZNILA-HZPDHXFCSA-N 2 0 373.563 0.932 10 0 FCAERP CCC(=O)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023264 672462138 /nfs/dbraw/zinc/46/21/38/672462138.db2.gz QWEUKWHBBDTXGJ-ZACQAIPSSA-N 2 0 352.523 0.975 10 0 FCAERP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870996428 672524615 /nfs/dbraw/zinc/52/46/15/672524615.db2.gz BTLVMTIPWHHKON-JONQDZQNSA-N 2 0 350.463 0.678 10 0 FCAERP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872192208 672600287 /nfs/dbraw/zinc/60/02/87/672600287.db2.gz SWSOPYIXGOSIAE-NEPJUHHUSA-N 2 0 352.401 0.381 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000872192798 672601072 /nfs/dbraw/zinc/60/10/72/672601072.db2.gz KYORQNCYZYUSHC-AVGNSLFASA-N 2 0 364.412 0.523 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000872233083 672607250 /nfs/dbraw/zinc/60/72/50/672607250.db2.gz MLMPOISSCHLNQK-JYJNAYRXSA-N 2 0 356.511 0.488 10 0 FCAERP CCO[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H]1OC ZINC000875510257 672888997 /nfs/dbraw/zinc/88/89/97/672888997.db2.gz SFPGWYTUTKIGHB-WRQOLXDDSA-N 2 0 356.511 0.560 10 0 FCAERP CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H]1OC ZINC000875510255 672889007 /nfs/dbraw/zinc/88/90/07/672889007.db2.gz SFPGWYTUTKIGHB-NQNKBUKLSA-N 2 0 356.511 0.560 10 0 FCAERP CCS(=O)(=O)CCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875671970 672903063 /nfs/dbraw/zinc/90/30/63/672903063.db2.gz RZGNFJRBCOOYJP-HUUCEWRRSA-N 2 0 362.540 0.192 10 0 FCAERP O=S(=O)(NCc1ccc(CN2CC[NH2+]CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000923678150 673073116 /nfs/dbraw/zinc/07/31/16/673073116.db2.gz SNNCDRXMZYWMAL-KRWDZBQOSA-N 2 0 352.504 0.263 10 0 FCAERP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000925152055 673777716 /nfs/dbraw/zinc/77/77/16/673777716.db2.gz QXKQDBTXKALDTE-QBPKDAKJSA-N 2 0 368.547 0.807 10 0 FCAERP O=S1(=O)CCNC[C@@H]1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925788792 673801040 /nfs/dbraw/zinc/80/10/40/673801040.db2.gz MASAIFXQVHJRPH-LESCRADOSA-N 2 0 365.499 0.609 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)n1 ZINC000926048729 673809827 /nfs/dbraw/zinc/80/98/27/673809827.db2.gz YKCDZCMWSBOSLW-CQSZACIVSA-N 2 0 350.467 0.806 10 0 FCAERP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1N=NC(=O)N1C ZINC000926134493 673812419 /nfs/dbraw/zinc/81/24/19/673812419.db2.gz ZWUBKAKJFKQIDN-ZDUSSCGKSA-N 2 0 355.487 0.497 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926394223 673829526 /nfs/dbraw/zinc/82/95/26/673829526.db2.gz ALVXDBUUCXOMOX-JKSUJKDBSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC[C@@H]1C[NH3+] ZINC000926418485 673831026 /nfs/dbraw/zinc/83/10/26/673831026.db2.gz OJQYYCFEQVMHFD-JKSUJKDBSA-N 2 0 350.507 0.764 10 0 FCAERP CCO[C@@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C[NH+](C)C ZINC000926840287 673844721 /nfs/dbraw/zinc/84/47/21/673844721.db2.gz CJRVUVPBUNKHED-WBVHZDCISA-N 2 0 356.511 0.848 10 0 FCAERP CCO[C@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C[NH+](C)C ZINC000926853844 673846104 /nfs/dbraw/zinc/84/61/04/673846104.db2.gz HXYFAJFFFBBUGW-BRWVUGGUSA-N 3 0 357.543 0.334 10 0 FCAERP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[C@H]2C(=O)N[C@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1C ZINC000928428759 673909830 /nfs/dbraw/zinc/90/98/30/673909830.db2.gz YSNCPXZPQJZFFQ-KWRZAIAESA-N 2 0 350.507 0.820 10 0 FCAERP C[C@H](CNC(=O)CN1CCC[C@H]([NH+](C)C)C1)N1CCC[C@H]([NH+](C)C)C1 ZINC000929489265 673959184 /nfs/dbraw/zinc/95/91/84/673959184.db2.gz YZTWUBOQKZRBBH-SQNIBIBYSA-N 2 0 353.555 0.543 10 0 FCAERP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000929629207 673969201 /nfs/dbraw/zinc/96/92/01/673969201.db2.gz WVPMTIXPZQLSFE-ZBFHGGJFSA-N 2 0 354.495 0.202 10 0 FCAERP CON1CC[C@H]([NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1=O ZINC000929681945 673971190 /nfs/dbraw/zinc/97/11/90/673971190.db2.gz AUIMZQQUDAXMPE-HNNXBMFYSA-N 2 0 354.495 0.565 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)C[NH+](C)C ZINC000929936046 673986524 /nfs/dbraw/zinc/98/65/24/673986524.db2.gz YJGRRLODDMKWJM-UYSNPLJNSA-N 2 0 356.511 0.306 10 0 FCAERP C[C@@H](CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)[NH+]1CCCCC1 ZINC000930250640 674008504 /nfs/dbraw/zinc/00/85/04/674008504.db2.gz PQKLHWYRVHQDMJ-TXPKVOOTSA-N 2 0 350.507 0.777 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1C(=O)N=CNC1=O ZINC000900480733 675686810 /nfs/dbraw/zinc/68/68/10/675686810.db2.gz JAPXOAODOHXUKY-ZDUSSCGKSA-N 2 0 351.451 0.305 10 0 FCAERP C[NH+](C)CCCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)[C@@H]1CCS(=O)(=O)C1 ZINC000900980134 675736883 /nfs/dbraw/zinc/73/68/83/675736883.db2.gz HUWJQLJRCBVYPF-BBWFWOEESA-N 2 0 371.547 0.971 10 0 FCAERP C[N@@H+]1CCC[C@](O)(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000901119527 675760440 /nfs/dbraw/zinc/76/04/40/675760440.db2.gz RPFSWNPJRSSIIN-LNLFQRSKSA-N 2 0 353.507 0.717 10 0 FCAERP C[N@@H+]1CCC[C@](O)(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000901119526 675760483 /nfs/dbraw/zinc/76/04/83/675760483.db2.gz RPFSWNPJRSSIIN-LMMKCTJWSA-N 2 0 353.507 0.717 10 0 FCAERP CC(C)C[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)C(=O)NCC[NH+](C)C ZINC000901230450 675773804 /nfs/dbraw/zinc/77/38/04/675773804.db2.gz NTYNIDKXSNVFNZ-MAUKXSAKSA-N 2 0 356.511 0.042 10 0 FCAERP CC(C)C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)C(=O)NCC[NH+](C)C ZINC000901230451 675773910 /nfs/dbraw/zinc/77/39/10/675773910.db2.gz NTYNIDKXSNVFNZ-YJBOKZPZSA-N 2 0 356.511 0.042 10 0 FCAERP 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1210055637 /nfs/dbraw/zinc/05/56/37/1210055637.db2.gz MGGISWXMHQKKMC-IBGZPJMESA-N 3 0 369.554 0.162 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)CC[C@@H]21 ZINC000868390859 1210060858 /nfs/dbraw/zinc/06/08/58/1210060858.db2.gz BJLQBJUCPZBCHM-SPUZQDLCSA-N 2 0 374.460 0.631 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000868943860 1210078725 /nfs/dbraw/zinc/07/87/25/1210078725.db2.gz LZZIWUXRIGWOOV-KZNAEPCWSA-N 2 0 363.506 0.418 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2COCCN2C2CCCC2)C[C@H]1C[NH+](C)C ZINC000870019622 1210099635 /nfs/dbraw/zinc/09/96/35/1210099635.db2.gz KXIJNOMPQOEAAC-ZHALLVOQSA-N 2 0 366.550 0.828 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCN2c2ncccn2)C[C@H]1C[NH+](C)C ZINC000870024281 1210100008 /nfs/dbraw/zinc/10/00/08/1210100008.db2.gz XHUARAINJNKYSR-BRWVUGGUSA-N 2 0 360.506 0.643 10 0 FCAERP O=C(NC1CC1)c1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872255234 1210183851 /nfs/dbraw/zinc/18/38/51/1210183851.db2.gz RYFFDHYKRNVVJK-KSZLIROESA-N 2 0 370.453 0.946 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C[C@H]1C[NH+](C)C ZINC000875931415 1210397151 /nfs/dbraw/zinc/39/71/51/1210397151.db2.gz VKAIKGYCVCKBJP-INMHGKMJSA-N 2 0 365.522 0.521 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001490824086 1211414750 /nfs/dbraw/zinc/41/47/50/1211414750.db2.gz DTRICXSWZFYCLZ-YESZJQIVSA-N 2 0 350.507 0.966 10 0 FCAERP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CCN2CCC([NH3+])CC2)CC1 ZINC000925813391 1211508154 /nfs/dbraw/zinc/50/81/54/1211508154.db2.gz UUGFDUVKHDUWOK-HNNXBMFYSA-N 2 0 368.522 0.579 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C1N=NC(=O)N1C ZINC000926140849 1211517750 /nfs/dbraw/zinc/51/77/50/1211517750.db2.gz JPIGWFGSRSHRSG-KGLIPLIRSA-N 2 0 367.498 0.639 10 0 FCAERP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926302421 1211527726 /nfs/dbraw/zinc/52/77/26/1211527726.db2.gz NEJVLSHPWKKLOM-LJQANCHMSA-N 2 0 368.522 0.269 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000926393141 1211545369 /nfs/dbraw/zinc/54/53/69/1211545369.db2.gz CUYVAVHKQVLDJG-HRCADAONSA-N 2 0 357.458 0.187 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000926402427 1211546452 /nfs/dbraw/zinc/54/64/52/1211546452.db2.gz QUPXYCNWZNAPMT-OXQOHEQNSA-N 2 0 371.485 0.863 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926655873 1211552909 /nfs/dbraw/zinc/55/29/09/1211552909.db2.gz DKZNRVXFYLGKQZ-BDXSIMOUSA-N 2 0 368.522 0.848 10 0 FCAERP CCO[C@@H](CNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)C[NH+](C)C ZINC000926833752 1211556013 /nfs/dbraw/zinc/55/60/13/1211556013.db2.gz QZIKZDFATQKKEJ-INIZCTEOSA-N 2 0 371.526 0.149 10 0 FCAERP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927641854 1211578366 /nfs/dbraw/zinc/57/83/66/1211578366.db2.gz MCZRWQQWPFSYHM-QGZVFWFLSA-N 2 0 368.522 0.992 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3C[NH2+]C[C@H]3C)c2)CC1 ZINC000927810774 1211582675 /nfs/dbraw/zinc/58/26/75/1211582675.db2.gz YENVAXSZGQFUMN-RHSMWYFYSA-N 2 0 359.474 0.491 10 0 FCAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)cc1 ZINC000927880993 1211589552 /nfs/dbraw/zinc/58/95/52/1211589552.db2.gz AHQGCAMZIZBHEJ-LJQANCHMSA-N 2 0 362.474 0.779 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccnc1 ZINC000928838580 1211611314 /nfs/dbraw/zinc/61/13/14/1211611314.db2.gz LPNHQHVIBZOBDG-IRXDYDNUSA-N 2 0 361.490 0.601 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CCCC1 ZINC000929164365 1211620036 /nfs/dbraw/zinc/62/00/36/1211620036.db2.gz RRNLELSPJPXSON-INIZCTEOSA-N 2 0 366.506 0.347 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000929168797 1211620856 /nfs/dbraw/zinc/62/08/56/1211620856.db2.gz PUJHVZALYHALTK-QGZVFWFLSA-N 2 0 366.506 0.345 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000929507550 1211643086 /nfs/dbraw/zinc/64/30/86/1211643086.db2.gz SDVALTSZRAVIAQ-KSZLIROESA-N 2 0 373.501 0.934 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000929512232 1211643700 /nfs/dbraw/zinc/64/37/00/1211643700.db2.gz ZXCBLOGEMCTASJ-QAPCUYQASA-N 2 0 373.501 0.791 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccnc1 ZINC000929570089 1211648094 /nfs/dbraw/zinc/64/80/94/1211648094.db2.gz VQJAAQRZKINGPJ-KSZLIROESA-N 2 0 373.501 0.934 10 0 FCAERP C[NH+](C)CCOc1ccc(CCC(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000929580626 1211648242 /nfs/dbraw/zinc/64/82/42/1211648242.db2.gz CIOPCHHTCYUGLH-UHFFFAOYSA-N 2 0 362.518 0.923 10 0 FCAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000930202216 1211695336 /nfs/dbraw/zinc/69/53/36/1211695336.db2.gz LBELLHYUHSZEST-WBVHZDCISA-N 2 0 366.506 0.347 10 0 FCAERP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000930366164 1211705119 /nfs/dbraw/zinc/70/51/19/1211705119.db2.gz FLRFADRPEFUREX-FDCRZUCXSA-N 2 0 374.529 0.824 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000930491544 1211709480 /nfs/dbraw/zinc/70/94/80/1211709480.db2.gz RYPQGRKBQPRWMR-ZTFGCOKTSA-N 2 0 373.501 0.790 10 0 FCAERP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000930818654 1211723606 /nfs/dbraw/zinc/72/36/06/1211723606.db2.gz KOPMLUCHYSMXLB-JKSUJKDBSA-N 2 0 373.482 0.647 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000418849598 1213863081 /nfs/dbraw/zinc/86/30/81/1213863081.db2.gz DAIKRTRCFBKOOS-PXNSSMCTSA-N 2 0 358.486 0.630 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[NH+]1CCCCC1 ZINC000827319191 1216585449 /nfs/dbraw/zinc/58/54/49/1216585449.db2.gz AVFFWQUYMFBKAN-IRXDYDNUSA-N 2 0 368.522 0.546 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCCCC1 ZINC000827322166 1216586761 /nfs/dbraw/zinc/58/67/61/1216586761.db2.gz UJXNXKQMPPZWFD-NVXWUHKLSA-N 2 0 366.506 0.035 10 0 FCAERP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000900176575 1217967557 /nfs/dbraw/zinc/96/75/57/1217967557.db2.gz PKNMTIKBTSPEDJ-ICSRJNTNSA-N 2 0 360.502 0.770 10 0 FCAERP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000900903399 1218052032 /nfs/dbraw/zinc/05/20/32/1218052032.db2.gz HHGHJBTWMMBYGW-UYAOXDASSA-N 2 0 361.486 0.715 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000903750553 1218515155 /nfs/dbraw/zinc/51/51/55/1218515155.db2.gz NJEJFNMMJAUXGD-IAGOWNOFSA-N 2 0 358.486 0.915 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903773042 1218521476 /nfs/dbraw/zinc/52/14/76/1218521476.db2.gz GMDAKXZIYAVXLZ-HNNXBMFYSA-N 2 0 366.506 0.286 10 0 FCAERP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000903772627 1218521553 /nfs/dbraw/zinc/52/15/53/1218521553.db2.gz SHYYWFFTBKJPKR-ROUUACIJSA-N 2 0 372.513 0.958 10 0 FCAERP NC(=O)[C@H](C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000903925028 1218566146 /nfs/dbraw/zinc/56/61/46/1218566146.db2.gz BROBOGALHQGCAS-HOCLYGCPSA-N 2 0 360.437 0.776 10 0 FCAERP C(CCC[N@@H+]1CCN2CCOC[C@H]2C1)CC[NH+]1CCN2CCOC[C@H]2C1 ZINC000755209175 1220133117 /nfs/dbraw/zinc/13/31/17/1220133117.db2.gz VOCFFQSIHSECGZ-WOJBJXKFSA-N 2 0 366.550 0.580 10 0 FCAERP C(CCC[N@@H+]1CCN2CCOC[C@@H]2C1)CC[NH+]1CCN2CCOC[C@@H]2C1 ZINC000755209174 1220133276 /nfs/dbraw/zinc/13/32/76/1220133276.db2.gz VOCFFQSIHSECGZ-PMACEKPBSA-N 2 0 366.550 0.580 10 0 FCAERP C[C@H]1C[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001117175884 1221489534 /nfs/dbraw/zinc/48/95/34/1221489534.db2.gz ZIAXFGHBETVMCD-JKSUJKDBSA-N 2 0 359.474 0.482 10 0 FCAERP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cn1 ZINC001118442975 1221779670 /nfs/dbraw/zinc/77/96/70/1221779670.db2.gz HOSAQEFCEBBFOF-JENIJYKNSA-N 2 0 363.506 0.371 10 0 FCAERP Cc1cc(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001118918163 1221844303 /nfs/dbraw/zinc/84/43/03/1221844303.db2.gz UFWPDZHXBDXTKI-WBVHZDCISA-N 2 0 373.501 0.942 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@H]1C[NH+](C)C ZINC001119577061 1221935805 /nfs/dbraw/zinc/93/58/05/1221935805.db2.gz PZKSYTLIEJPCAA-OBVSXPTNSA-N 2 0 364.534 0.879 10 0 FCAERP C[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CCO1 ZINC001119610920 1221940379 /nfs/dbraw/zinc/94/03/79/1221940379.db2.gz KDVCCKDCIQWIGP-BHYGNILZSA-N 2 0 364.490 0.051 10 0 FCAERP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC([C@H](F)C(N)=O)CC3)C2)CC1 ZINC001123601180 1222342481 /nfs/dbraw/zinc/34/24/81/1222342481.db2.gz SDKIKBPMCPWYOO-ZBFHGGJFSA-N 2 0 369.485 0.400 10 0 FCAERP 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FCAERP CC[N@H+](C)[C@H]1CCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC001684946994 1292376166 /nfs/dbraw/zinc/37/61/66/1292376166.db2.gz WYZGUCLGZYNBLY-MSOLQXFVSA-N 2 0 367.538 0.519 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001685725408 1292611569 /nfs/dbraw/zinc/61/15/69/1292611569.db2.gz RDYIMYJCQCKPMU-BRWVUGGUSA-N 2 0 352.523 0.881 10 0 FCAERP CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001686100014 1292767646 /nfs/dbraw/zinc/76/76/46/1292767646.db2.gz VYNRGNULMAGTDX-YVSFHVDLSA-N 2 0 350.507 0.918 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1C ZINC001687030264 1292974968 /nfs/dbraw/zinc/97/49/68/1292974968.db2.gz LIEXJWBBLBVKHB-GVDBMIGSSA-N 2 0 350.507 0.681 10 0 FCAERP COC[C@@H]1C[C@@H](O)C[NH+]1CC[Si](C)(C)CC[N@H+]1C[C@H](O)C[C@H]1COC ZINC001118827362 847594906 /nfs/dbraw/zinc/59/49/06/847594906.db2.gz SXUYFTNYHIDVFX-WNRNVDISSA-N 2 0 374.598 0.858 10 0 FCAERP C[C@H](N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1(C)CC1 ZINC001118951781 847649130 /nfs/dbraw/zinc/64/91/30/847649130.db2.gz CBIMYJAXIGZXLU-ARFHVFGLSA-N 2 0 352.523 0.831 10 0 FCAERP C[C@@H](NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccns1 ZINC001119023449 847683235 /nfs/dbraw/zinc/68/32/35/847683235.db2.gz PUHBMCARMMWRHY-MGPQQGTHSA-N 2 0 367.519 0.518 10 0 FCAERP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H](O)C3(O)CCOCC3)CC2)CC1 ZINC001119734388 847956637 /nfs/dbraw/zinc/95/66/37/847956637.db2.gz GBQAHDCLUZSUAT-QGZVFWFLSA-N 2 0 355.523 0.238 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]([NH2+]Cc2nnnn2C)C(C)C)CC[N@@H+]1C ZINC001277569989 861943498 /nfs/dbraw/zinc/94/34/98/861943498.db2.gz QKDIRWBDPQYPGH-RRFJBIMHSA-N 2 0 351.499 0.561 10 0 FCAERP COc1nscc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001278755659 862453256 /nfs/dbraw/zinc/45/32/56/862453256.db2.gz HMAPLEUQBAMZDX-MRVWCRGKSA-N 2 0 356.492 0.401 10 0 FCAERP CCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCSC[C@H]23)CC1 ZINC001262223505 858826313 /nfs/dbraw/zinc/82/63/13/858826313.db2.gz VOXMMBCGEROIBZ-JKSUJKDBSA-N 2 0 368.547 0.673 10 0 FCAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)C3(O)CCOCC3)CC2)CC1 ZINC001262234535 858833078 /nfs/dbraw/zinc/83/30/78/858833078.db2.gz GIKPCSIGBBDEIQ-SFHVURJKSA-N 2 0 355.523 0.379 10 0 FCAERP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001263906718 859234440 /nfs/dbraw/zinc/23/44/40/859234440.db2.gz VYBWDPKRGLEEQL-QLFBSQMISA-N 2 0 354.495 0.093 10 0 FCAERP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001264090736 859305958 /nfs/dbraw/zinc/30/59/58/859305958.db2.gz BHBWJLKJTUUUIY-IXDOHACOSA-N 2 0 350.507 0.633 10 0 FCAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1CC)[NH+](C)C ZINC001264618462 859402818 /nfs/dbraw/zinc/40/28/18/859402818.db2.gz GSHJANQWMXUJEW-ZNMIVQPWSA-N 2 0 352.479 0.445 10 0 FCAERP 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CCc1nocc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001271145930 859906237 /nfs/dbraw/zinc/90/62/37/859906237.db2.gz QKBVMQVLADLQPR-SIIHOXLZSA-N 2 0 350.463 0.630 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]C[C@@H](O)CC(F)(F)F)CC[N@@H+]1C ZINC001272169687 860105407 /nfs/dbraw/zinc/10/54/07/860105407.db2.gz VAEHCHYJWYPFCN-FRRDWIJNSA-N 2 0 355.401 0.050 10 0 FCAERP C[C@@H](CC[NH2+]CC(=O)N(C)c1nccs1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272782023 860256241 /nfs/dbraw/zinc/25/62/41/860256241.db2.gz LCWNVOZPZFDQMK-BFHYXJOUSA-N 2 0 367.519 0.931 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCN3CCNC3=O)CCC2)CC[N@@H+]1C ZINC001273084155 860368485 /nfs/dbraw/zinc/36/84/85/860368485.db2.gz DHUWSBGDJAMOQF-LSDHHAIUSA-N 2 0 351.495 0.370 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCc3ccns3)C2)CC[N@@H+]1C ZINC001273875232 860625131 /nfs/dbraw/zinc/62/51/31/860625131.db2.gz DNUUOGHZQOHMAF-KYJSFNMBSA-N 2 0 366.531 0.969 10 0 FCAERP 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C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)CC[N@@H+]1C ZINC001282681397 864397485 /nfs/dbraw/zinc/39/74/85/864397485.db2.gz UPOJCVZJPYDOIV-MTSZKFMLSA-N 2 0 350.507 0.917 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC001285563499 864636660 /nfs/dbraw/zinc/63/66/60/864636660.db2.gz LIBSMECLBJKADZ-MULDZMIYSA-N 2 0 350.507 0.991 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC([C@H](C)NC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001286195733 864682198 /nfs/dbraw/zinc/68/21/98/864682198.db2.gz MDWCZXCFMXRRIW-BHYGNILZSA-N 2 0 350.507 0.776 10 0 FCAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001288992979 864840831 /nfs/dbraw/zinc/84/08/31/864840831.db2.gz KIZVSRCXKBRQOH-YESZJQIVSA-N 2 0 350.507 0.872 10 0 FCAERP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001289393475 865045162 /nfs/dbraw/zinc/04/51/62/865045162.db2.gz SQAGWXKQQZRWMA-BZUAXINKSA-N 2 0 350.507 0.776 10 0 FCAERP 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O=C1NCC2(CCOCC2)[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001350974707 866746433 /nfs/dbraw/zinc/74/64/33/866746433.db2.gz CHGOJCAQRWNXDM-KRWDZBQOSA-N 2 0 351.491 0.762 10 0 FCAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001316656409 867378971 /nfs/dbraw/zinc/37/89/71/867378971.db2.gz BCZXYGMJVFIOMG-LSDHHAIUSA-N 2 0 351.495 0.228 10 0 FCAERP CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001316690135 867397774 /nfs/dbraw/zinc/39/77/74/867397774.db2.gz BBNONTRSSUEMCP-ZIAGYGMSSA-N 2 0 367.519 0.833 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(=O)NC2CC2)C1 ZINC001316704801 867412526 /nfs/dbraw/zinc/41/25/26/867412526.db2.gz QNIQSOSTYLRGKT-INMHGKMJSA-N 2 0 350.507 0.824 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001316734355 867429615 /nfs/dbraw/zinc/42/96/15/867429615.db2.gz KEJRGBWCFQAOEG-DLBZAZTESA-N 2 0 350.507 0.966 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001316763281 867462137 /nfs/dbraw/zinc/46/21/37/867462137.db2.gz MFUMJJAGTHENRQ-OAGGEKHMSA-N 2 0 354.495 0.012 10 0 FCAERP Cc1csc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001317589359 867543132 /nfs/dbraw/zinc/54/31/32/867543132.db2.gz QDSFBOSJGKQVPJ-CHWSQXEVSA-N 2 0 353.492 0.778 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC(=O)Nc2cc(C)no2)CC[N@@H+]1C ZINC001317588068 867543177 /nfs/dbraw/zinc/54/31/77/867543177.db2.gz AHJOIZOGJKIBDG-UONOGXRCSA-N 2 0 351.451 0.700 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)Nc2ccon2)CC[N@@H+]1C ZINC001320420543 868163217 /nfs/dbraw/zinc/16/32/17/868163217.db2.gz GZAYSUFSWVGKFB-HZSPNIEDSA-N 2 0 351.451 0.828 10 0 FCAERP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001321751565 868598753 /nfs/dbraw/zinc/59/87/53/868598753.db2.gz JXDOFCHFVQZNJY-HOTGVXAUSA-N 2 0 354.495 0.156 10 0 FCAERP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001321751569 868598793 /nfs/dbraw/zinc/59/87/93/868598793.db2.gz JXDOFCHFVQZNJY-JKSUJKDBSA-N 2 0 354.495 0.156 10 0 FCAERP Cn1nc(C2CC2)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001324617251 869636683 /nfs/dbraw/zinc/63/66/83/869636683.db2.gz ZJPCGHDOULFZSD-UHFFFAOYSA-N 2 0 350.467 0.188 10 0 FCAERP C[NH+]1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)[C@@H]1c1ccc(F)cc1 ZINC001325494012 869912694 /nfs/dbraw/zinc/91/26/94/869912694.db2.gz IXYWHHUBMHEKDG-BQFCYCMXSA-N 2 0 350.438 0.937 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC001327410147 870850345 /nfs/dbraw/zinc/85/03/45/870850345.db2.gz AVKURRGNAXITED-UHFFFAOYSA-N 2 0 354.495 0.014 10 0 FCAERP [NH3+]CCCn1cc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)nn1 ZINC001327926704 871143350 /nfs/dbraw/zinc/14/33/50/871143350.db2.gz AUKCMRGUJSVFKG-UHFFFAOYSA-N 2 0 350.467 0.248 10 0 FCAERP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)NC1CC[NH+](C2CC2)CC1 ZINC001346095015 871643960 /nfs/dbraw/zinc/64/39/60/871643960.db2.gz CONNCSLBKDBHGQ-FUHWJXTLSA-N 2 0 352.479 0.138 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001346284269 871749763 /nfs/dbraw/zinc/74/97/63/871749763.db2.gz SZIGGPHYEUWKBV-BRWVUGGUSA-N 2 0 352.523 0.881 10 0 FCAERP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)N1CC[NH+](C)CC1 ZINC001346573875 871911522 /nfs/dbraw/zinc/91/15/22/871911522.db2.gz NGDQXCWFPFHFIE-OWCLPIDISA-N 2 0 355.552 0.501 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC3(C2)CCCC3)C[C@H]1C[NH+](C)C ZINC001329429319 872022731 /nfs/dbraw/zinc/02/27/31/872022731.db2.gz RXOQSUASFVPKAQ-HZPDHXFCSA-N 2 0 350.507 0.587 10 0 FCAERP CC[C@H]1CN(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)CC[C@@H]1[NH3+] ZINC001330518678 872681188 /nfs/dbraw/zinc/68/11/88/872681188.db2.gz CXRFPRXHQFDUTJ-HOCLYGCPSA-N 2 0 353.511 0.746 10 0 FCAERP C[NH+]1CCN(c2ccccc2CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC001332365289 873478962 /nfs/dbraw/zinc/47/89/62/873478962.db2.gz RARVMJRXURPASP-MRXNPFEDSA-N 2 0 352.504 0.610 10 0 FCAERP [NH3+][C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)C12CCC2 ZINC001332420237 873501891 /nfs/dbraw/zinc/50/18/91/873501891.db2.gz JDSXLLYDGFZCSN-JKSUJKDBSA-N 2 0 357.520 0.819 10 0 FCAERP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC000930368069 674016793 /nfs/dbraw/zinc/01/67/93/674016793.db2.gz QWEPPEQANYUOOD-VQHPVUNQSA-N 2 0 350.507 0.539 10 0 FCAERP COC(=O)[C@@H]1CN(C[C@H]2CCC[N@@H+]2C)[C@@H](C)CN1C[C@H]1CCC[NH+]1C ZINC000930650357 674046121 /nfs/dbraw/zinc/04/61/21/674046121.db2.gz MMSGSRHKJDQAEY-MLHJIOFPSA-N 2 0 352.523 0.723 10 0 FCAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000930814331 674063394 /nfs/dbraw/zinc/06/33/94/674063394.db2.gz RDTRYEKIOZCUPK-DZVNLGKHSA-N 2 0 351.491 0.713 10 0 FCAERP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000285322848 213324288 /nfs/dbraw/zinc/32/42/88/213324288.db2.gz XDGDQKBHQYEVTK-KRWDZBQOSA-N 2 0 360.502 0.828 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)C[NH+](C)C ZINC000931003745 674085815 /nfs/dbraw/zinc/08/58/15/674085815.db2.gz AJULVPPXTNTIBN-JKSUJKDBSA-N 2 0 356.511 0.306 10 0 FCAERP C[C@H](CNC(=O)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1)[NH+]1C[C@H]2COC[C@@]2(C)C1 ZINC000931020456 674087743 /nfs/dbraw/zinc/08/77/43/674087743.db2.gz SXQPTMBQDMRNHK-RFXPCRSYSA-N 2 0 351.491 0.428 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000284913492 213246537 /nfs/dbraw/zinc/24/65/37/213246537.db2.gz GGYKDNBLGGFKDE-HHXXYDBFSA-N 2 0 372.513 0.874 10 0 FCAERP C[C@H](C(=O)NC[C@H]1CCCO1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000246705469 209398519 /nfs/dbraw/zinc/39/85/19/209398519.db2.gz KSGKXCQOXOOTIL-KZNAEPCWSA-N 2 0 352.523 0.772 10 0 FCAERP Cn1ccnc1CN1CCC(C(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000194919500 209330387 /nfs/dbraw/zinc/33/03/87/209330387.db2.gz PEIGMHFMFUIZQT-UHFFFAOYSA-N 2 0 363.506 0.859 10 0 FCAERP O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188983601 209242288 /nfs/dbraw/zinc/24/22/88/209242288.db2.gz DAWQKLFXIGKSGH-CABCVRRESA-N 2 0 355.442 0.421 10 0 FCAERP CN1CCC(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)([NH+]2CCCCC2)CC1 ZINC000188799349 209238237 /nfs/dbraw/zinc/23/82/37/209238237.db2.gz VPIUUJXXRIUCLD-UHFFFAOYSA-N 2 0 360.506 0.736 10 0 FCAERP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276282646 212203892 /nfs/dbraw/zinc/20/38/92/212203892.db2.gz FSCWFSXZIPSNOV-YWZLYKJASA-N 2 0 374.485 0.078 10 0 FCAERP C[C@@H](NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@H](C)[NH3+] ZINC000417546054 245706608 /nfs/dbraw/zinc/70/66/08/245706608.db2.gz LEYMENBMRZRCQL-JJRVBVJISA-N 2 0 361.490 0.919 10 0 FCAERP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000419190555 246043702 /nfs/dbraw/zinc/04/37/02/246043702.db2.gz MTXRDKOWAQLZLU-UHFFFAOYSA-N 2 0 367.538 0.297 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419212792 246057860 /nfs/dbraw/zinc/05/78/60/246057860.db2.gz VFTPTWXSAOMYDC-NJAFHUGGSA-N 2 0 358.486 0.881 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419205272 246052744 /nfs/dbraw/zinc/05/27/44/246052744.db2.gz JPVXRFLGUUPNPC-RHSMWYFYSA-N 2 0 362.474 0.357 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419371649 246123250 /nfs/dbraw/zinc/12/32/50/246123250.db2.gz JFQLQSPDCOTGGJ-RHSMWYFYSA-N 2 0 358.486 0.316 10 0 FCAERP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419428090 246160422 /nfs/dbraw/zinc/16/04/22/246160422.db2.gz SQNUXOIDCWNSTJ-KDURUIRLSA-N 2 0 370.497 0.904 10 0 FCAERP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[N@H+](C)C1CC1 ZINC000419585149 246211067 /nfs/dbraw/zinc/21/10/67/246211067.db2.gz LLGFLBZLWMYTLB-MOFKGGKKSA-N 2 0 362.518 0.855 10 0 FCAERP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000419591931 246212149 /nfs/dbraw/zinc/21/21/49/246212149.db2.gz WALDHEJNDJJJBQ-UGSOOPFHSA-N 2 0 364.515 0.876 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000419540082 246196673 /nfs/dbraw/zinc/19/66/73/246196673.db2.gz ZHIYLYBOCZMECU-QAPCUYQASA-N 2 0 358.486 0.834 10 0 FCAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H](O)Cn2ccnn2)CC1 ZINC000419779467 246296092 /nfs/dbraw/zinc/29/60/92/246296092.db2.gz ISISEMBTQMCQBF-CQSZACIVSA-N 2 0 364.881 0.834 10 0 FCAERP CN(C(=O)C(=O)NCCC[NH3+])[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419831357 246310388 /nfs/dbraw/zinc/31/03/88/246310388.db2.gz LPXIZFOFEFRKLK-DLBZAZTESA-N 2 0 367.538 0.247 10 0 FCAERP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000419893194 246353873 /nfs/dbraw/zinc/35/38/73/246353873.db2.gz LZDWMJNSAGFHGU-IRXDYDNUSA-N 2 0 350.507 0.969 10 0 FCAERP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)C[C@@H]21 ZINC000423085390 246961798 /nfs/dbraw/zinc/96/17/98/246961798.db2.gz KMHCPRBKJNTODQ-OKZBNKHCSA-N 2 0 362.518 0.907 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CC1 ZINC000423619106 247079532 /nfs/dbraw/zinc/07/95/32/247079532.db2.gz YCUQTLBWBKXWRP-UHFFFAOYSA-N 2 0 352.504 0.849 10 0 FCAERP COc1ccccc1[C@@H]1CNCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423707536 247118713 /nfs/dbraw/zinc/11/87/13/247118713.db2.gz OHEAKFRWGIEJTD-KRWDZBQOSA-N 2 0 374.485 0.721 10 0 FCAERP OCCOc1cncc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000436306102 248038703 /nfs/dbraw/zinc/03/87/03/248038703.db2.gz OKXLLPGQHHUXKL-UHFFFAOYSA-N 2 0 358.446 0.867 10 0 FCAERP O=C(C[N@@H+]1CCC[C@@H]1CN1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000441412113 248251027 /nfs/dbraw/zinc/25/10/27/248251027.db2.gz VQOBTDUBULFFIE-GOSISDBHSA-N 2 0 350.507 0.526 10 0 FCAERP NC(=O)N[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@@H](NC(N)=O)C3)c2)C1 ZINC000270711981 211254517 /nfs/dbraw/zinc/25/45/17/211254517.db2.gz ZUCWUIJFPYHTDH-HZPDHXFCSA-N 2 0 360.462 0.172 10 0 FCAERP C[NH+](C)CCOCCNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000471637303 250111968 /nfs/dbraw/zinc/11/19/68/250111968.db2.gz VUQCEHVWKYZHEV-QGZVFWFLSA-N 2 0 355.527 0.376 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[NH+](C3CC3)CC2)C1 ZINC000061041297 208012386 /nfs/dbraw/zinc/01/23/86/208012386.db2.gz HBZUKZYXLOAXMA-GOSISDBHSA-N 2 0 352.523 0.630 10 0 FCAERP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)C[C@@H](C)O1 ZINC000111688950 208284099 /nfs/dbraw/zinc/28/40/99/208284099.db2.gz XARNYQGSPSVHHT-NUJGCVRESA-N 2 0 353.507 0.791 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000111867136 208287836 /nfs/dbraw/zinc/28/78/36/208287836.db2.gz KVLPXUVCRYXJAY-SFHVURJKSA-N 2 0 368.522 0.851 10 0 FCAERP COc1ccc(-c2noc(CN(C)C(=O)C34C[NH2+]CC3C[NH2+]C4)n2)cc1 ZINC000065382448 221207503 /nfs/dbraw/zinc/20/75/03/221207503.db2.gz GKKMLSAKJMPQJO-UHFFFAOYSA-N 2 0 357.414 0.513 10 0 FCAERP COC(=O)[C@@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@H+](C)C1 ZINC000413521145 533478234 /nfs/dbraw/zinc/47/82/34/533478234.db2.gz UJJSKQIBAVRQGL-FHERZECASA-N 2 0 352.479 0.750 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000554256867 491189383 /nfs/dbraw/zinc/18/93/83/491189383.db2.gz MMWNNNWHKNGIBA-WMLDXEAASA-N 2 0 350.507 0.824 10 0 FCAERP O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(=O)N1CCC[NH2+]CC1 ZINC000312938900 488895956 /nfs/dbraw/zinc/89/59/56/488895956.db2.gz FYIMFURHORYYDU-GBESFXJTSA-N 2 0 370.497 0.835 10 0 FCAERP CC[NH+](CC)[C@@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000326529822 488915871 /nfs/dbraw/zinc/91/58/71/488915871.db2.gz HBWIXJFRIQEKSU-IRXDYDNUSA-N 2 0 355.504 0.977 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000074367031 488391921 /nfs/dbraw/zinc/39/19/21/488391921.db2.gz ITXPZZUQHNWEMF-HZPDHXFCSA-N 2 0 353.511 0.665 10 0 FCAERP CC[C@@H]1CN(C(=O)NC2CC[NH+](CCCOC)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000185047765 488398950 /nfs/dbraw/zinc/39/89/50/488398950.db2.gz BUAZKYWGWSRASH-SJLPKXTDSA-N 2 0 370.538 0.974 10 0 FCAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)CC1 ZINC000075969096 488400773 /nfs/dbraw/zinc/40/07/73/488400773.db2.gz QVDNZYRGULPRQL-GOSISDBHSA-N 2 0 352.523 0.774 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000186371701 488406220 /nfs/dbraw/zinc/40/62/20/488406220.db2.gz HZKKIUSVVVDKBR-DLBZAZTESA-N 2 0 370.538 0.972 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1=O ZINC000247021335 488480563 /nfs/dbraw/zinc/48/05/63/488480563.db2.gz MZKVNRORHIHQNW-GVDBMIGSSA-N 2 0 366.506 0.108 10 0 FCAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000569927531 491203895 /nfs/dbraw/zinc/20/38/95/491203895.db2.gz BBOMRYRWYNFFLU-GOSISDBHSA-N 2 0 374.485 0.300 10 0 FCAERP CN1CCN(C(=O)Cc2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)CC1 ZINC000261743966 488533612 /nfs/dbraw/zinc/53/36/12/488533612.db2.gz DUXROCAJXXOWJI-UHFFFAOYSA-N 2 0 360.458 0.450 10 0 FCAERP CCOCC[N@@H+]1CCN(C(=O)NCCCN2CCOCC2)C[C@@H]1CC ZINC000117023431 488550236 /nfs/dbraw/zinc/55/02/36/488550236.db2.gz ZGMGLJXNBBUJRS-KRWDZBQOSA-N 2 0 356.511 0.851 10 0 FCAERP CC[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@@H+]1CCOC ZINC000117475880 488551462 /nfs/dbraw/zinc/55/14/62/488551462.db2.gz GBBSLOJBIHGPQM-GOSISDBHSA-N 2 0 369.554 0.765 10 0 FCAERP CC[C@@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)CC[N@@H+]1CCOC ZINC000120950623 488563866 /nfs/dbraw/zinc/56/38/66/488563866.db2.gz OQGNQQJFKVHQIC-GOSISDBHSA-N 2 0 362.522 0.771 10 0 FCAERP O=C(NC[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1)[C@@H]1CCC[NH2+]1 ZINC000262419964 488569204 /nfs/dbraw/zinc/56/92/04/488569204.db2.gz RQGUUUTYAKQDJA-NHAYFPRASA-N 2 0 362.518 0.873 10 0 FCAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262771220 488592025 /nfs/dbraw/zinc/59/20/25/488592025.db2.gz LLJLHULWPOGPEM-RDJZCZTQSA-N 2 0 363.506 0.972 10 0 FCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000131466884 488646237 /nfs/dbraw/zinc/64/62/37/488646237.db2.gz YGWVVACCIFIFSI-RDJZCZTQSA-N 2 0 361.552 0.683 10 0 FCAERP CCC[C@@H](C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC000152966994 488725822 /nfs/dbraw/zinc/72/58/22/488725822.db2.gz PJDJRNRETWSDDK-MSOLQXFVSA-N 2 0 354.539 0.970 10 0 FCAERP CC[NH+]1CCC[C@@H](NC(=O)COCC(=O)N[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000153372822 488730449 /nfs/dbraw/zinc/73/04/49/488730449.db2.gz DIOSPPXBPPLCET-HZPDHXFCSA-N 2 0 354.495 0.204 10 0 FCAERP CNC(=O)c1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000266842319 488736096 /nfs/dbraw/zinc/73/60/96/488736096.db2.gz NAIUJNYJBMSFGK-UHFFFAOYSA-N 2 0 355.446 0.855 10 0 FCAERP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@](C)(O)C[NH+](C)C)CC1 ZINC000159150371 488783509 /nfs/dbraw/zinc/78/35/09/488783509.db2.gz UNJLZLAREJGVQE-MRXNPFEDSA-N 2 0 373.523 0.082 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170836928 488816878 /nfs/dbraw/zinc/81/68/78/488816878.db2.gz XTGIKYDROYSPFV-QGZVFWFLSA-N 2 0 361.490 0.824 10 0 FCAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000181725014 488863722 /nfs/dbraw/zinc/86/37/22/488863722.db2.gz HMKZGRVCHUEGIK-IAGOWNOFSA-N 2 0 369.554 0.357 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000570219479 491225255 /nfs/dbraw/zinc/22/52/55/491225255.db2.gz MNOVWQZMUUHRND-QGZVFWFLSA-N 2 0 366.506 0.347 10 0 FCAERP COC[C@H](C)OC[C@H](O)C[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000365711374 489103130 /nfs/dbraw/zinc/10/31/30/489103130.db2.gz KRGXZYPWAFAWDV-SXLOBPIMSA-N 2 0 366.502 0.968 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000563456266 491248837 /nfs/dbraw/zinc/24/88/37/491248837.db2.gz FHJFGBGJIZSYCI-YOEHRIQHSA-N 2 0 365.522 0.759 10 0 FCAERP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)ccn2)CC1 ZINC000363521440 489475184 /nfs/dbraw/zinc/47/51/84/489475184.db2.gz ZRYWLQLQUUFZKR-IAGOWNOFSA-N 2 0 359.474 0.426 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423081432 489491859 /nfs/dbraw/zinc/49/18/59/489491859.db2.gz BRKCVMPCOCJBPJ-SJORKVTESA-N 2 0 350.507 0.777 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423088422 489492093 /nfs/dbraw/zinc/49/20/93/489492093.db2.gz SAVADIWWNWPIES-DNVCBOLYSA-N 2 0 366.506 0.001 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)CC1 ZINC000423171876 489499591 /nfs/dbraw/zinc/49/95/91/489499591.db2.gz QJDNDRRZQIGMHK-UHFFFAOYSA-N 2 0 350.463 0.689 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423214270 489503577 /nfs/dbraw/zinc/50/35/77/489503577.db2.gz LBAGENOGFYPQIV-DNVCBOLYSA-N 2 0 350.507 0.907 10 0 FCAERP C[NH2+]CC1CCN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000423224069 489505142 /nfs/dbraw/zinc/50/51/42/489505142.db2.gz IDMVEQSMAGIAPO-QGZVFWFLSA-N 2 0 350.507 0.921 10 0 FCAERP CC[C@H](C)[NH+]1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000451820804 489525551 /nfs/dbraw/zinc/52/55/51/489525551.db2.gz FCPYVORQXPJZGE-ROUUACIJSA-N 2 0 354.539 0.876 10 0 FCAERP Cc1cc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)ccc1OCC[NH+](C)C ZINC000415617513 489537776 /nfs/dbraw/zinc/53/77/76/489537776.db2.gz QPRRTXWJCIRSTR-CZUORRHYSA-N 2 0 362.474 0.988 10 0 FCAERP CNC(=O)C[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000455456222 489592914 /nfs/dbraw/zinc/59/29/14/489592914.db2.gz FEQOMBDNODUPBT-OAHLLOKOSA-N 2 0 353.511 0.761 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417202349 489644357 /nfs/dbraw/zinc/64/43/57/489644357.db2.gz XJCSYTHCVBMHMN-MOPGFXCFSA-N 2 0 359.518 0.848 10 0 FCAERP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCCC[NH+]2CCO)C[C@H](C)O1 ZINC000457573097 489650165 /nfs/dbraw/zinc/65/01/65/489650165.db2.gz JAWHYJKKNBDXQM-BBWFWOEESA-N 2 0 356.511 0.632 10 0 FCAERP C[NH+](C)C1CCN(CCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000372905097 489650597 /nfs/dbraw/zinc/65/05/97/489650597.db2.gz VPHWMLKNGAMNOT-GPMSIDNRSA-N 2 0 352.523 0.661 10 0 FCAERP CCC(CC)[C@H](CNC(=O)N1CCN(CCO)C[C@@H]1C)N1CCOCC1 ZINC000457619855 489651573 /nfs/dbraw/zinc/65/15/73/489651573.db2.gz POSGKCSYNQVPID-WMZOPIPTSA-N 2 0 370.538 0.831 10 0 FCAERP CC1=CC[N@H+](CCNC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000555734802 491269070 /nfs/dbraw/zinc/26/90/70/491269070.db2.gz NPGUJCATHIKAJB-UHFFFAOYSA-N 2 0 350.507 0.993 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417564172 489658904 /nfs/dbraw/zinc/65/89/04/489658904.db2.gz IIUNQDONXSSFAL-HOTGVXAUSA-N 2 0 369.510 0.126 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000417748425 489664050 /nfs/dbraw/zinc/66/40/50/489664050.db2.gz IFFQJTKSXCSHAS-UHFFFAOYSA-N 2 0 355.527 0.470 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000417832028 489667932 /nfs/dbraw/zinc/66/79/32/489667932.db2.gz CRIRUTMMUSKNEK-ZBFHGGJFSA-N 2 0 367.538 0.910 10 0 FCAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458468412 489685120 /nfs/dbraw/zinc/68/51/20/489685120.db2.gz UZHLZJFQFNMUBA-ZWKOTPCHSA-N 2 0 369.554 0.406 10 0 FCAERP CC(C)C[C@H](NC(=O)NC[C@@]1(C)CCC[NH2+]C1)C(=O)NCC[NH+](C)C ZINC000418535732 489704697 /nfs/dbraw/zinc/70/46/97/489704697.db2.gz HWUJRFNEOQHWIV-YJBOKZPZSA-N 2 0 355.527 0.768 10 0 FCAERP C[C@@]1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000418816489 489736657 /nfs/dbraw/zinc/73/66/57/489736657.db2.gz LUXNZSNOKZYDPM-UEXGIBASSA-N 2 0 370.497 0.835 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418873333 489768531 /nfs/dbraw/zinc/76/85/31/489768531.db2.gz HXFIAOYGGLVUQR-PXNSSMCTSA-N 2 0 360.502 0.781 10 0 FCAERP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CCCO1 ZINC000418883332 489774669 /nfs/dbraw/zinc/77/46/69/489774669.db2.gz UXYMPHOULCJGEH-NVXWUHKLSA-N 2 0 362.474 0.420 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@H](C)[NH2+]1 ZINC000418958244 489804517 /nfs/dbraw/zinc/80/45/17/489804517.db2.gz FZZBGSYBJQDRRN-STQMWFEESA-N 2 0 350.438 0.712 10 0 FCAERP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000376892075 489812632 /nfs/dbraw/zinc/81/26/32/489812632.db2.gz HDQDVTZMFRFOHE-HNNXBMFYSA-N 2 0 360.462 0.232 10 0 FCAERP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)nc(C)n1 ZINC000419042806 489831169 /nfs/dbraw/zinc/83/11/69/489831169.db2.gz PSSSNMYRYCZXCW-MRXNPFEDSA-N 2 0 374.489 0.437 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc2n1CCC2 ZINC000475582330 489836646 /nfs/dbraw/zinc/83/66/46/489836646.db2.gz MQGBWNGQPPVGQX-HNNXBMFYSA-N 2 0 369.535 0.866 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@H](CO)C1CC1 ZINC000460159824 489853202 /nfs/dbraw/zinc/85/32/02/489853202.db2.gz GZHPLMGHEIJIDY-QGZVFWFLSA-N 2 0 361.490 0.911 10 0 FCAERP CS[C@@H]1CN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1[NH+](C)C ZINC000377176855 489863823 /nfs/dbraw/zinc/86/38/23/489863823.db2.gz BQJPUJJWQTXWFB-YESZJQIVSA-N 2 0 372.579 0.437 10 0 FCAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420005822 489879430 /nfs/dbraw/zinc/87/94/30/489879430.db2.gz XFLKHNRUKKCMJK-KRWDZBQOSA-N 2 0 364.465 0.974 10 0 FCAERP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000420094518 489910583 /nfs/dbraw/zinc/91/05/83/489910583.db2.gz JEKVSWZAWSSEFZ-MRXNPFEDSA-N 2 0 367.538 0.249 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420095361 489910590 /nfs/dbraw/zinc/91/05/90/489910590.db2.gz FUNWRDFNONZNGD-RHSMWYFYSA-N 2 0 364.465 0.830 10 0 FCAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420098068 489911208 /nfs/dbraw/zinc/91/12/08/489911208.db2.gz AMCHZIJLLANARJ-KANFNMMFSA-N 2 0 370.497 0.691 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420100759 489912022 /nfs/dbraw/zinc/91/20/22/489912022.db2.gz KVXZCBQNIDWIRO-SJLPKXTDSA-N 2 0 358.486 0.835 10 0 FCAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000420116577 489918302 /nfs/dbraw/zinc/91/83/02/489918302.db2.gz HGKLDJUCVMCSCK-ZFWWWQNUSA-N 2 0 352.504 0.753 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3C[NH2+]CCC3(F)F)cn2)CC1 ZINC000571183273 491291229 /nfs/dbraw/zinc/29/12/29/491291229.db2.gz OIUJSFNARDODNO-AWEZNQCLSA-N 2 0 368.432 0.630 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000556068556 491291727 /nfs/dbraw/zinc/29/17/27/491291727.db2.gz FNISWYBFESOMCI-INIZCTEOSA-N 2 0 354.495 0.062 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000477618463 489978375 /nfs/dbraw/zinc/97/83/75/489978375.db2.gz WDXDGQZQTATDRV-UHFFFAOYSA-N 2 0 368.522 0.452 10 0 FCAERP COCC[NH+]1CCC(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000477647810 489981824 /nfs/dbraw/zinc/98/18/24/489981824.db2.gz SLPNVMPAXBMGFQ-ALOPSCKCSA-N 2 0 366.506 0.345 10 0 FCAERP COCC[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000477683163 489983915 /nfs/dbraw/zinc/98/39/15/489983915.db2.gz KVYBUUPEBHEWOU-HZPDHXFCSA-N 2 0 368.522 0.593 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCn2cc(Br)cn2)CC1 ZINC000571278240 491297402 /nfs/dbraw/zinc/29/74/02/491297402.db2.gz POFFKCRJIPOBIS-CQSZACIVSA-N 2 0 360.300 0.234 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCn2cc(Br)cn2)CC1 ZINC000571278239 491297455 /nfs/dbraw/zinc/29/74/55/491297455.db2.gz POFFKCRJIPOBIS-AWEZNQCLSA-N 2 0 360.300 0.234 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000571282198 491297710 /nfs/dbraw/zinc/29/77/10/491297710.db2.gz BKTZMYKGZQVMRX-SJORKVTESA-N 2 0 363.458 0.674 10 0 FCAERP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CCSC1 ZINC000421726729 490102271 /nfs/dbraw/zinc/10/22/71/490102271.db2.gz RMJRVCVBGBRQRE-QGZVFWFLSA-N 2 0 361.471 0.504 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)N1CCC[NH2+]CC1 ZINC000379681684 490125041 /nfs/dbraw/zinc/12/50/41/490125041.db2.gz SOCGWPHBOFWIAE-SFHVURJKSA-N 2 0 358.486 0.979 10 0 FCAERP C[C@H](C(=O)N1CCN(C2CC2)CC1)[C@H](C)C(=O)N1CCN(C2CC2)CC1 ZINC000479928871 490139571 /nfs/dbraw/zinc/13/95/71/490139571.db2.gz GOKXPGAGMPWZGL-HOTGVXAUSA-N 2 0 362.518 0.872 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)Cn1cncn1 ZINC000465792791 490142393 /nfs/dbraw/zinc/14/23/93/490142393.db2.gz SVTSJBLBEDYDEI-HZPDHXFCSA-N 2 0 351.499 0.724 10 0 FCAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000532998307 490154691 /nfs/dbraw/zinc/15/46/91/490154691.db2.gz MYTNORSBVAXARA-GJZGRUSLSA-N 2 0 364.494 0.762 10 0 FCAERP CN(C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000465962678 490157908 /nfs/dbraw/zinc/15/79/08/490157908.db2.gz WHPOBBDBJPVNKM-GDBMZVCRSA-N 2 0 351.495 0.452 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000398083570 490165949 /nfs/dbraw/zinc/16/59/49/490165949.db2.gz SPXHRHJYHUAZPD-BPQIPLTHSA-N 2 0 367.515 0.805 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000520663794 490177050 /nfs/dbraw/zinc/17/70/50/490177050.db2.gz VTXTVTIGOVPAMZ-MRXNPFEDSA-N 2 0 368.522 0.404 10 0 FCAERP CC[NH+](CC)CCOCCNC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000546041993 490181549 /nfs/dbraw/zinc/18/15/49/490181549.db2.gz JKGDILNVGWYXRZ-UHFFFAOYSA-N 2 0 366.510 0.606 10 0 FCAERP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000408071261 490238033 /nfs/dbraw/zinc/23/80/33/490238033.db2.gz MWCDAHSCPCRMCN-ARFHVFGLSA-N 2 0 351.495 0.417 10 0 FCAERP Cn1ccc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000498238569 490275573 /nfs/dbraw/zinc/27/55/73/490275573.db2.gz KNYCSBXFRYHKIJ-UHFFFAOYSA-N 2 0 357.462 0.827 10 0 FCAERP [NH3+]C1CCC(OCC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000571794430 491329647 /nfs/dbraw/zinc/32/96/47/491329647.db2.gz PCHSKUMAQKGUIZ-ZGRYLRDCSA-N 2 0 366.506 0.380 10 0 FCAERP CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(CC)CC2)CC12COC2 ZINC000451138887 490520314 /nfs/dbraw/zinc/52/03/14/490520314.db2.gz REHNCJOMMHMLTN-CABCVRRESA-N 2 0 353.463 0.051 10 0 FCAERP CN1CCC(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)([NH+]2CCCCC2)CC1 ZINC000485534182 490540320 /nfs/dbraw/zinc/54/03/20/490540320.db2.gz RXJPPUSAVQGZDZ-SFHVURJKSA-N 2 0 363.550 0.443 10 0 FCAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000536105545 490553896 /nfs/dbraw/zinc/55/38/96/490553896.db2.gz COFJOJSRJNQLBL-UHFFFAOYSA-N 2 0 371.507 0.075 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NCC[NH+](C)C ZINC000536229655 490562768 /nfs/dbraw/zinc/56/27/68/490562768.db2.gz XPCWMLPPWMZILD-JYJNAYRXSA-N 2 0 355.527 0.861 10 0 FCAERP [NH3+]C1CCC(OCC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000564949513 491339423 /nfs/dbraw/zinc/33/94/23/491339423.db2.gz VPTVUYRTGSCABH-WXRRBKDZSA-N 2 0 352.401 0.225 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000527124216 490701653 /nfs/dbraw/zinc/70/16/53/490701653.db2.gz NXSULYMPOITRCI-UHFFFAOYSA-N 2 0 362.474 0.902 10 0 FCAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000514073662 490760930 /nfs/dbraw/zinc/76/09/30/490760930.db2.gz AXWBNUYYWQLLHX-QGZVFWFLSA-N 2 0 372.579 0.758 10 0 FCAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)cn2)CC1 ZINC000540406243 490820746 /nfs/dbraw/zinc/82/07/46/490820746.db2.gz IQNMKQDERZNMDR-INIZCTEOSA-N 2 0 352.504 0.890 10 0 FCAERP CCN(CC)C(=O)CN1CCCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000515837997 490840718 /nfs/dbraw/zinc/84/07/18/490840718.db2.gz JPZMPDQXCACSIA-UHFFFAOYSA-N 2 0 368.522 0.676 10 0 FCAERP [NH3+]C1(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCCCCC1 ZINC000529327393 490852997 /nfs/dbraw/zinc/85/29/97/490852997.db2.gz ADWZHBXOOWPJPC-UHFFFAOYSA-N 2 0 366.510 0.391 10 0 FCAERP CC[NH+]1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000542908210 490915409 /nfs/dbraw/zinc/91/54/09/490915409.db2.gz DMULETNQKCNTAU-IBGZPJMESA-N 2 0 360.502 0.507 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000517750458 490919704 /nfs/dbraw/zinc/91/97/04/490919704.db2.gz KQEPFNCDJDWCPE-UHFFFAOYSA-N 2 0 368.522 0.452 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000572402240 491367769 /nfs/dbraw/zinc/36/77/69/491367769.db2.gz BQNDTHWUZLHMAV-INIZCTEOSA-N 3 0 362.474 0.377 10 0 FCAERP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000519702019 490985261 /nfs/dbraw/zinc/98/52/61/490985261.db2.gz BFJJFAIYBHJCOT-OKILXGFUSA-N 2 0 366.487 0.594 10 0 FCAERP COC[C@]1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)OCCc2ccccc21 ZINC000569568417 491169164 /nfs/dbraw/zinc/16/91/64/491169164.db2.gz CRWIDGMTMDMYJZ-QUCCMNQESA-N 2 0 363.502 0.299 10 0 FCAERP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000569720515 491185583 /nfs/dbraw/zinc/18/55/83/491185583.db2.gz QNURXHRCNDYTHM-OAGGEKHMSA-N 2 0 354.495 0.202 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000557493304 491377980 /nfs/dbraw/zinc/37/79/80/491377980.db2.gz MOBHYJCDUFKVQO-QGZVFWFLSA-N 2 0 366.506 0.204 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000557492463 491378186 /nfs/dbraw/zinc/37/81/86/491378186.db2.gz CJMHJHNGMFEJPD-HZPDHXFCSA-N 2 0 354.495 0.204 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cccnc2OCC(F)(F)F)CC1 ZINC000565534247 491382347 /nfs/dbraw/zinc/38/23/47/491382347.db2.gz BCTFIINHVVSVCW-CQSZACIVSA-N 2 0 362.396 0.721 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)NCC2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC2)C1 ZINC000565550177 491384589 /nfs/dbraw/zinc/38/45/89/491384589.db2.gz QKMXODJLHHFQHV-CVEARBPZSA-N 2 0 350.507 0.825 10 0 FCAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000557627378 491388287 /nfs/dbraw/zinc/38/82/87/491388287.db2.gz YTEFICFHRYNNRL-UHFFFAOYSA-N 2 0 371.507 0.226 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000565780864 491398958 /nfs/dbraw/zinc/39/89/58/491398958.db2.gz OJBTZGNEQYQSMW-IBGZPJMESA-N 2 0 366.506 0.158 10 0 FCAERP COc1cccc(N2CCC[C@@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2)c1 ZINC000566116644 491418014 /nfs/dbraw/zinc/41/80/14/491418014.db2.gz KAMKYBNXSAJDJD-IEBWSBKVSA-N 2 0 362.518 0.862 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)CC1 ZINC000566131269 491419201 /nfs/dbraw/zinc/41/92/01/491419201.db2.gz YALKHPDNJHOQDT-IRXDYDNUSA-N 2 0 350.482 0.850 10 0 FCAERP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)C2)CC1 ZINC000573711509 491450054 /nfs/dbraw/zinc/45/00/54/491450054.db2.gz DBUNWOGWAPHZGT-YLJYHZDGSA-N 2 0 362.518 0.779 10 0 FCAERP CCN(C(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H]1CC[N@H+](CC)C1 ZINC000668388765 493345897 /nfs/dbraw/zinc/34/58/97/493345897.db2.gz KAZTVTXNMKNNOX-DLBZAZTESA-N 2 0 368.522 0.402 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000566679384 491460014 /nfs/dbraw/zinc/46/00/14/491460014.db2.gz UCWRTBAOEXGHDM-FUHWJXTLSA-N 2 0 374.485 0.298 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000566736379 491463719 /nfs/dbraw/zinc/46/37/19/491463719.db2.gz WRXJIKYOBBNTSU-INIZCTEOSA-N 2 0 363.510 0.259 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000559393014 491470118 /nfs/dbraw/zinc/47/01/18/491470118.db2.gz PKWFZFZDEAXGKZ-HNNXBMFYSA-N 2 0 354.495 0.204 10 0 FCAERP C[C@@H]1CN(CCO)CCN1C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000567463738 491507509 /nfs/dbraw/zinc/50/75/09/491507509.db2.gz DQFQLHOKPODQFT-IKGGRYGDSA-N 2 0 354.495 0.338 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000560023717 491516237 /nfs/dbraw/zinc/51/62/37/491516237.db2.gz HGYIYQSTOWMWAW-IRXDYDNUSA-N 2 0 350.507 0.968 10 0 FCAERP CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000568216406 491560372 /nfs/dbraw/zinc/56/03/72/491560372.db2.gz QCZFOOCRLBTUEO-MRXNPFEDSA-N 2 0 363.506 0.656 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000568287645 491567005 /nfs/dbraw/zinc/56/70/05/491567005.db2.gz FJAHEDXPCLASQS-MRXNPFEDSA-N 2 0 367.538 0.960 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000561118371 491575700 /nfs/dbraw/zinc/57/57/00/491575700.db2.gz MNAPMTSBIJBLOM-DLBZAZTESA-N 2 0 368.522 0.594 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)NCC(C)(C)CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000561222527 491585069 /nfs/dbraw/zinc/58/50/69/491585069.db2.gz NVSCTMSGZLNXAL-IYBDPMFKSA-N 2 0 352.523 0.929 10 0 FCAERP CN1CC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000584498285 491597854 /nfs/dbraw/zinc/59/78/54/491597854.db2.gz IHYLBVASKJCWAL-MNEFBYGVSA-N 2 0 368.472 0.908 10 0 FCAERP O=C(C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000576424180 491613627 /nfs/dbraw/zinc/61/36/27/491613627.db2.gz MNQKJOVRHSIMAQ-MOPGFXCFSA-N 2 0 364.534 0.962 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000568966876 491622587 /nfs/dbraw/zinc/62/25/87/491622587.db2.gz LQKSULKOLMHIJA-IBGZPJMESA-N 2 0 350.507 0.827 10 0 FCAERP COc1cc([C@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc(OC)c1OC ZINC000577490803 491625995 /nfs/dbraw/zinc/62/59/95/491625995.db2.gz MRXPUYYDWCWSQL-GOEBONIOSA-N 2 0 367.490 0.971 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000561879435 491637068 /nfs/dbraw/zinc/63/70/68/491637068.db2.gz IVYYGXQBRHWLTK-KRWDZBQOSA-N 2 0 350.507 0.920 10 0 FCAERP COC[C@H](C)OC[C@H](O)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000578523164 491679113 /nfs/dbraw/zinc/67/91/13/491679113.db2.gz OQFBCUOJKVNBPY-ZWKOTPCHSA-N 2 0 357.539 0.939 10 0 FCAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000578878089 491686371 /nfs/dbraw/zinc/68/63/71/491686371.db2.gz FVZMIHAFPZBFIV-OWCLPIDISA-N 2 0 350.507 0.824 10 0 FCAERP O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000579197187 491692767 /nfs/dbraw/zinc/69/27/67/491692767.db2.gz XGJATIWYRJLFOI-QUCCMNQESA-N 2 0 361.486 0.586 10 0 FCAERP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)CCOC3C[NH2+]C3)c2)CC1 ZINC000579348368 491695934 /nfs/dbraw/zinc/69/59/34/491695934.db2.gz FYTXZFMQAXZWFU-UHFFFAOYSA-N 2 0 360.458 0.701 10 0 FCAERP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000579623356 491701939 /nfs/dbraw/zinc/70/19/39/491701939.db2.gz CPVLSUIQPNKCHC-INIZCTEOSA-N 2 0 354.495 0.062 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC000580764162 491744615 /nfs/dbraw/zinc/74/46/15/491744615.db2.gz SVMQNOBFMIPENI-SQGPQFPESA-N 2 0 356.470 0.760 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc2ccccc2n1 ZINC000581085946 491758642 /nfs/dbraw/zinc/75/86/42/491758642.db2.gz NZBPQMZLDXSPJG-UHFFFAOYSA-N 2 0 371.485 0.803 10 0 FCAERP COc1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)ccc1OC(F)F ZINC000581246369 491765732 /nfs/dbraw/zinc/76/57/32/491765732.db2.gz RSPICGDKHODERS-CQSZACIVSA-N 2 0 359.417 0.995 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)CC1 ZINC000581508215 491775685 /nfs/dbraw/zinc/77/56/85/491775685.db2.gz GGCMUHVOUGVOIL-HOTGVXAUSA-N 2 0 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CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647563534 492310790 /nfs/dbraw/zinc/31/07/90/492310790.db2.gz IRZBSLRQACINOG-UHFFFAOYSA-N 2 0 354.495 0.108 10 0 FCAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473253 492311814 /nfs/dbraw/zinc/31/18/14/492311814.db2.gz JXNVNXIMQVDVMZ-WMZOPIPTSA-N 2 0 374.485 0.214 10 0 FCAERP CCCN(C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000647567142 492313981 /nfs/dbraw/zinc/31/39/81/492313981.db2.gz MEGMZUCVIABQRD-MRXNPFEDSA-N 2 0 366.506 0.252 10 0 FCAERP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654517172 492315360 /nfs/dbraw/zinc/31/53/60/492315360.db2.gz JYDWETZDLXWASG-ZWKOTPCHSA-N 2 0 359.474 0.758 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C[NH2+]1 ZINC000627478999 492316068 /nfs/dbraw/zinc/31/60/68/492316068.db2.gz UOKXNSGNJJJWFP-WQVCFCJDSA-N 2 0 350.438 0.801 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)o1 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WROHLZASUVYTAD-XYVMCAHJSA-N 2 0 362.518 0.918 10 0 FCAERP CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000623616798 492574425 /nfs/dbraw/zinc/57/44/25/492574425.db2.gz DTKKQNHIEGLBCL-LJQANCHMSA-N 2 0 357.458 0.973 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656309738 492584115 /nfs/dbraw/zinc/58/41/15/492584115.db2.gz UIGKWCPZDCFQLU-IKGGRYGDSA-N 2 0 366.506 0.347 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000656345638 492605188 /nfs/dbraw/zinc/60/51/88/492605188.db2.gz LKAXVCOZVHKCCH-DLBZAZTESA-N 2 0 368.522 0.402 10 0 FCAERP CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCCCO1 ZINC000656349254 492606788 /nfs/dbraw/zinc/60/67/88/492606788.db2.gz BBFGSTMHJSQCJK-CVEARBPZSA-N 2 0 356.511 0.402 10 0 FCAERP CCn1c2nnc(CN(C)CCOCC[NH2+]C)n2c2ccccc2c1=O ZINC000629567986 492647376 /nfs/dbraw/zinc/64/73/76/492647376.db2.gz HXWXQZNZIUSWMX-UHFFFAOYSA-N 2 0 358.446 0.732 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000629807749 492682285 /nfs/dbraw/zinc/68/22/85/492682285.db2.gz DBIZZMNCLZWJTD-UHFFFAOYSA-N 2 0 366.506 0.430 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000629809261 492682857 /nfs/dbraw/zinc/68/28/57/492682857.db2.gz OQKCNYYKJWYGMY-JKSUJKDBSA-N 2 0 366.506 0.286 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000629817185 492687313 /nfs/dbraw/zinc/68/73/13/492687313.db2.gz LLKWBRXUIYDCEI-CRAIPNDOSA-N 2 0 366.506 0.143 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1=O ZINC000651062752 492702417 /nfs/dbraw/zinc/70/24/17/492702417.db2.gz GMAIUZLFNGPHBI-MRXNPFEDSA-N 2 0 351.495 0.419 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1=O ZINC000651120619 492711742 /nfs/dbraw/zinc/71/17/42/492711742.db2.gz KCQRYMZPHDHMGA-UHFFFAOYSA-N 2 0 353.511 0.668 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000644529240 492782731 /nfs/dbraw/zinc/78/27/31/492782731.db2.gz FKTCWIPKFTZUIW-DOTOQJQBSA-N 2 0 368.472 0.989 10 0 FCAERP C[C@@H](C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)CN1CC[NH+](C)CC1 ZINC000644562730 492785343 /nfs/dbraw/zinc/78/53/43/492785343.db2.gz QOZQGINGHBIYEK-HOTGVXAUSA-N 2 0 365.474 0.628 10 0 FCAERP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000644562448 492786223 /nfs/dbraw/zinc/78/62/23/492786223.db2.gz RTYWOIWJKMWQFP-HNNXBMFYSA-N 2 0 365.474 0.771 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNc2nccc(C(F)(F)F)n2)CC1 ZINC000644571297 492786998 /nfs/dbraw/zinc/78/69/98/492786998.db2.gz INADQHDVGLURGB-LBPRGKRZSA-N 2 0 362.400 0.105 10 0 FCAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000631064769 492795969 /nfs/dbraw/zinc/79/59/69/492795969.db2.gz SPVGNJOAIRPUAM-SJORKVTESA-N 2 0 350.511 0.678 10 0 FCAERP O=C(CN1CCC([NH+]2CCOCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000625553919 492818066 /nfs/dbraw/zinc/81/80/66/492818066.db2.gz UAUQCUKTMPJWMP-UHFFFAOYSA-N 2 0 350.507 0.526 10 0 FCAERP CS(=O)(=O)N1CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000658138350 492843427 /nfs/dbraw/zinc/84/34/27/492843427.db2.gz JGVRUIIKWSPXOQ-SFHVURJKSA-N 2 0 367.515 0.767 10 0 FCAERP CS(=O)(=O)N1CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000658138349 492843747 /nfs/dbraw/zinc/84/37/47/492843747.db2.gz JGVRUIIKWSPXOQ-GOSISDBHSA-N 2 0 367.515 0.767 10 0 FCAERP C[NH+]1CCN(c2ccc(CNc3nc(N)[nH+]c4c3CCCC4)cn2)CC1 ZINC000645106741 492869210 /nfs/dbraw/zinc/86/92/10/492869210.db2.gz HVZSZWFFJYDVID-UHFFFAOYSA-N 2 0 353.474 1.118 10 0 FCAERP C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)cc1 ZINC000631907107 492874605 /nfs/dbraw/zinc/87/46/05/492874605.db2.gz DHWMNPRTCRAPNE-OAHLLOKOSA-N 2 0 354.520 0.763 10 0 FCAERP C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631916192 492881346 /nfs/dbraw/zinc/88/13/46/492881346.db2.gz TUDVRXCGKPBRDR-INIZCTEOSA-N 2 0 359.467 0.508 10 0 FCAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631920259 492884541 /nfs/dbraw/zinc/88/45/41/492884541.db2.gz VSIOAZXZMLDHCR-BRWVUGGUSA-N 2 0 359.536 0.891 10 0 FCAERP C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631920813 492885004 /nfs/dbraw/zinc/88/50/04/492885004.db2.gz GZFKCLDREXQPEB-IRXDYDNUSA-N 2 0 360.568 0.806 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000652152612 492888525 /nfs/dbraw/zinc/88/85/25/492888525.db2.gz RRJHQQUOGXVWIK-QGZVFWFLSA-N 2 0 367.538 0.565 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)C[C@H]1C[NH3+] ZINC000652163420 492889942 /nfs/dbraw/zinc/88/99/42/492889942.db2.gz NNPHFLMLHXYVTB-NVXWUHKLSA-N 2 0 356.511 0.881 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H]1C[NH3+] ZINC000652170971 492890577 /nfs/dbraw/zinc/89/05/77/492890577.db2.gz YFQJQIKZUQMNPK-MWQQHZPXSA-N 2 0 354.495 0.369 10 0 FCAERP C[C@H](CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C[NH+]1CCN(C)CC1 ZINC000645327008 492893683 /nfs/dbraw/zinc/89/36/83/492893683.db2.gz PZVSPMBRKNVRFJ-QGZVFWFLSA-N 2 0 367.538 0.376 10 0 FCAERP [NH3+]CC1(CCNC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000652231705 492897237 /nfs/dbraw/zinc/89/72/37/492897237.db2.gz CYNXIOHUWZDDMJ-CABCVRRESA-N 2 0 351.495 0.405 10 0 FCAERP Cc1ccc(C[N@@H+]2CC[C@@H](NS(=O)(=O)C[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000631981982 492903124 /nfs/dbraw/zinc/90/31/24/492903124.db2.gz LJRXPFFOWXIRNQ-IAGOWNOFSA-N 2 0 353.488 0.477 10 0 FCAERP CCN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@H+](CC)C1 ZINC000658469070 492907182 /nfs/dbraw/zinc/90/71/82/492907182.db2.gz UTIJVJJABOJUNO-HNNXBMFYSA-N 2 0 350.467 0.326 10 0 FCAERP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658558418 492954156 /nfs/dbraw/zinc/95/41/56/492954156.db2.gz GAQDRQWDXBWUEO-HNNXBMFYSA-N 2 0 368.522 0.545 10 0 FCAERP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658570939 492960666 /nfs/dbraw/zinc/96/06/66/492960666.db2.gz SFRYPNSGTWJDNK-INIZCTEOSA-N 2 0 367.538 0.071 10 0 FCAERP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC000645695064 492961407 /nfs/dbraw/zinc/96/14/07/492961407.db2.gz CNEJRIOMWOJZCM-GOSISDBHSA-N 2 0 354.414 0.760 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000652669113 492983258 /nfs/dbraw/zinc/98/32/58/492983258.db2.gz WGPRLWCJEOPEEK-KRWDZBQOSA-N 2 0 374.485 0.115 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000652669964 492984046 /nfs/dbraw/zinc/98/40/46/492984046.db2.gz AJAWLTRTLDCLSY-UHFFFAOYSA-N 2 0 362.474 0.249 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[C@H]1C[NH3+] ZINC000652676951 492986582 /nfs/dbraw/zinc/98/65/82/492986582.db2.gz LIKDOLOWGNOIFV-KFWWJZLASA-N 2 0 356.511 0.291 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)c1ccc(F)cc1 ZINC000652682392 492988867 /nfs/dbraw/zinc/98/88/67/492988867.db2.gz JURDEUCFEOUCCE-HNNXBMFYSA-N 2 0 350.438 0.790 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)C[C@H]1C[NH3+] ZINC000652688346 492991190 /nfs/dbraw/zinc/99/11/90/492991190.db2.gz AOCUVAJDMCVPLE-HZPDHXFCSA-N 2 0 356.511 0.434 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000652729763 493007650 /nfs/dbraw/zinc/00/76/50/493007650.db2.gz ULNTYIYOBNOVSD-BRWVUGGUSA-N 2 0 366.506 0.286 10 0 FCAERP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626800830 493021897 /nfs/dbraw/zinc/02/18/97/493021897.db2.gz PTLWKNMMRIKULY-AWEZNQCLSA-N 2 0 360.458 0.955 10 0 FCAERP CCCN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]1CC[N@H+](C)C1 ZINC000658773131 493047800 /nfs/dbraw/zinc/04/78/00/493047800.db2.gz XAFLNDDPVANLDM-DLBZAZTESA-N 2 0 368.522 0.498 10 0 FCAERP CCCN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1CC[N@H+](C)C1 ZINC000658773133 493048028 /nfs/dbraw/zinc/04/80/28/493048028.db2.gz XAFLNDDPVANLDM-IRXDYDNUSA-N 2 0 368.522 0.498 10 0 FCAERP CCN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000658820406 493068449 /nfs/dbraw/zinc/06/84/49/493068449.db2.gz DGOUVZHWZKUVAV-IAGOWNOFSA-N 2 0 368.522 0.498 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000626958063 493070232 /nfs/dbraw/zinc/07/02/32/493070232.db2.gz KEVFMQSEZCZKPY-UHFFFAOYSA-N 2 0 355.527 0.422 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626964361 493071009 /nfs/dbraw/zinc/07/10/09/493071009.db2.gz QIEALIGQJNBNCM-GJZGRUSLSA-N 2 0 351.495 0.513 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC000626980953 493074215 /nfs/dbraw/zinc/07/42/15/493074215.db2.gz WUZZHKINBLIPIL-YTQUADARSA-N 2 0 365.522 0.034 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653125012 493076399 /nfs/dbraw/zinc/07/63/99/493076399.db2.gz PRIJVYKVBVGPKH-PXNSSMCTSA-N 2 0 358.486 0.551 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000627002181 493078163 /nfs/dbraw/zinc/07/81/63/493078163.db2.gz OBANOYMLUAMAOU-IRXDYDNUSA-N 2 0 356.511 0.632 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)C[C@H]1C[NH3+] ZINC000653246940 493086141 /nfs/dbraw/zinc/08/61/41/493086141.db2.gz FCCSSRGZYFHQQM-YLFCFFPRSA-N 2 0 366.506 0.141 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)C[C@H]1C[NH3+] ZINC000653246937 493086786 /nfs/dbraw/zinc/08/67/86/493086786.db2.gz FCCSSRGZYFHQQM-QBPKDAKJSA-N 2 0 366.506 0.141 10 0 FCAERP C[NH2+]CCOCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000627114197 493089976 /nfs/dbraw/zinc/08/99/76/493089976.db2.gz ALQGUZMLCNHPRL-IAGOWNOFSA-N 2 0 350.463 0.676 10 0 FCAERP O=C(CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)NCC[NH+]1CCCCCC1 ZINC000627127860 493092694 /nfs/dbraw/zinc/09/26/94/493092694.db2.gz XBWNULDQEVYDMP-OAHLLOKOSA-N 2 0 351.495 0.562 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)C(=O)NCC[NH+](C)C ZINC000627131924 493093872 /nfs/dbraw/zinc/09/38/72/493093872.db2.gz ZNAFARDDGRXTRP-GJZGRUSLSA-N 2 0 353.511 0.663 10 0 FCAERP CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000633003449 493101968 /nfs/dbraw/zinc/10/19/68/493101968.db2.gz TUFASKWMAHBIRP-UHFFFAOYSA-N 2 0 350.467 0.532 10 0 FCAERP Cc1cn2cc(NC(=O)C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)ccc2n1 ZINC000658902841 493106591 /nfs/dbraw/zinc/10/65/91/493106591.db2.gz GXCLLOFOCXLCPY-INIZCTEOSA-N 2 0 371.441 0.639 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653388971 493113747 /nfs/dbraw/zinc/11/37/47/493113747.db2.gz QIOAIEWCGULFDD-MRXNPFEDSA-N 2 0 354.495 0.158 10 0 FCAERP C[C@@H](CC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000646918151 493126575 /nfs/dbraw/zinc/12/65/75/493126575.db2.gz OEWLUHMIHQQTDF-ADHGMGHFSA-N 2 0 362.518 0.728 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)C3(C(=O)N4CC[C@H]5C[N@@H+](C)C[C@H]54)CCC3)[C@H]2C1 ZINC000646923751 493127879 /nfs/dbraw/zinc/12/78/79/493127879.db2.gz ZDXBARRALMGJJR-ZYGGUILKSA-N 2 0 360.502 0.482 10 0 FCAERP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000633106089 493129145 /nfs/dbraw/zinc/12/91/45/493129145.db2.gz GXCHZUYOLHCHPE-HNNXBMFYSA-N 2 0 352.479 0.040 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000633108125 493130042 /nfs/dbraw/zinc/13/00/42/493130042.db2.gz CGVRXXBJQFWPGX-UHFFFAOYSA-N 2 0 354.495 0.287 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000633111833 493130556 /nfs/dbraw/zinc/13/05/56/493130556.db2.gz UOZKJQRNVBGZMF-HZPDHXFCSA-N 2 0 366.506 0.286 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000633110088 493130684 /nfs/dbraw/zinc/13/06/84/493130684.db2.gz HGQXLAPLTUGOGS-KBAYOESNSA-N 2 0 358.486 0.425 10 0 FCAERP CC(C)(CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+]1CCCCC1 ZINC000627291512 493135778 /nfs/dbraw/zinc/13/57/78/493135778.db2.gz WNIUANFSGJQEMX-KDURUIRLSA-N 2 0 350.507 0.825 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)c1cccs1 ZINC000627290139 493135893 /nfs/dbraw/zinc/13/58/93/493135893.db2.gz GFWWRHVNVFNYKY-JSGCOSHPSA-N 2 0 350.488 0.868 10 0 FCAERP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627292489 493137017 /nfs/dbraw/zinc/13/70/17/493137017.db2.gz VZKAGOUEFZZNBP-IAGOWNOFSA-N 2 0 356.470 0.778 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627293618 493137912 /nfs/dbraw/zinc/13/79/12/493137912.db2.gz YGEVJPZOHFPMEA-KRWDZBQOSA-N 2 0 362.474 0.072 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)[C@H]3CC[C@H]3C(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@H]2C1 ZINC000633181304 493138450 /nfs/dbraw/zinc/13/84/50/493138450.db2.gz OBBAPIGXYMWUFJ-IZPLOLCNSA-N 2 0 360.502 0.338 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659076251 493140757 /nfs/dbraw/zinc/14/07/57/493140757.db2.gz KMPOZKMUYTUFBH-FSPWUOQZSA-N 2 0 372.469 0.885 10 0 FCAERP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)([NH+](C)C)C1 ZINC000627301966 493142620 /nfs/dbraw/zinc/14/26/20/493142620.db2.gz UHZIVXWPOYCSGW-RDTXWAMCSA-N 2 0 354.495 0.237 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CC1 ZINC000659080193 493143208 /nfs/dbraw/zinc/14/32/08/493143208.db2.gz QLSUVEMVVHWFPA-SJORKVTESA-N 2 0 360.458 0.742 10 0 FCAERP CCN1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)[C@@H](C)C1 ZINC000659083410 493145316 /nfs/dbraw/zinc/14/53/16/493145316.db2.gz MHROCIMQDQKBCG-YOEHRIQHSA-N 2 0 360.458 0.839 10 0 FCAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627312190 493146616 /nfs/dbraw/zinc/14/66/16/493146616.db2.gz RSUKQTDYXQNJQH-AWEZNQCLSA-N 2 0 354.495 0.237 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627312085 493146717 /nfs/dbraw/zinc/14/67/17/493146717.db2.gz OZWBQWFKTOMMSM-GASCZTMLSA-N 2 0 368.522 0.483 10 0 FCAERP CCCN(C(=O)C(=O)NC[C@H]1CCC[NH+]1CCOC)[C@H]1CC[N@H+](C)C1 ZINC000647025804 493148337 /nfs/dbraw/zinc/14/83/37/493148337.db2.gz SBCRLFMHRURQIE-CVEARBPZSA-N 2 0 354.495 0.156 10 0 FCAERP [NH3+]CCCOCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000627334310 493157816 /nfs/dbraw/zinc/15/78/16/493157816.db2.gz MQPURHSSMHVSSX-INIZCTEOSA-N 2 0 354.495 0.381 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000627333229 493157999 /nfs/dbraw/zinc/15/79/99/493157999.db2.gz YNPAMBMYPLGRBT-GBESFXJTSA-N 2 0 372.513 0.924 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000659110428 493158314 /nfs/dbraw/zinc/15/83/14/493158314.db2.gz HQFXTFJWIRXJHZ-HUUCEWRRSA-N 2 0 352.410 0.463 10 0 FCAERP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659113775 493160008 /nfs/dbraw/zinc/16/00/08/493160008.db2.gz HJPMUDHILXMITD-MRXNPFEDSA-N 2 0 362.474 0.914 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[NH2+]1 ZINC000627338676 493161451 /nfs/dbraw/zinc/16/14/51/493161451.db2.gz MVKRFNZEIHJXQN-ZBFHGGJFSA-N 2 0 359.474 0.419 10 0 FCAERP C[NH+](C)CCn1cc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000633617299 493172524 /nfs/dbraw/zinc/17/25/24/493172524.db2.gz NKUJPDZNLOGNNL-LJQANCHMSA-N 2 0 371.485 0.941 10 0 FCAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647179646 493174332 /nfs/dbraw/zinc/17/43/32/493174332.db2.gz JUEROOPDYNJYNV-CQSZACIVSA-N 2 0 372.510 0.836 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000627357892 493174759 /nfs/dbraw/zinc/17/47/59/493174759.db2.gz ULDFZLYTJDFBQV-XHSDSOJGSA-N 2 0 350.438 0.801 10 0 FCAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627362925 493179059 /nfs/dbraw/zinc/17/90/59/493179059.db2.gz ARYCRQZNSWGTMV-OAHLLOKOSA-N 2 0 354.495 0.381 10 0 FCAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627364290 493180272 /nfs/dbraw/zinc/18/02/72/493180272.db2.gz LWSBGLCAQHWIRG-OAHLLOKOSA-N 2 0 354.495 0.239 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627367149 493181777 /nfs/dbraw/zinc/18/17/77/493181777.db2.gz LPQGYFZFBASCEI-WBVHZDCISA-N 2 0 362.474 0.105 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000627373513 493185476 /nfs/dbraw/zinc/18/54/76/493185476.db2.gz UGDQXWYDMDVLFB-KBXCAEBGSA-N 2 0 374.485 0.126 10 0 FCAERP C[N@@H+]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H]1c1ccccc1 ZINC000659472862 493188161 /nfs/dbraw/zinc/18/81/61/493188161.db2.gz DBYJZFMSOOJCJW-RHSMWYFYSA-N 2 0 356.430 0.886 10 0 FCAERP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627381452 493190954 /nfs/dbraw/zinc/19/09/54/493190954.db2.gz RGSIVJYAXKBSSL-KRWDZBQOSA-N 2 0 371.485 0.815 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000627382761 493192019 /nfs/dbraw/zinc/19/20/19/493192019.db2.gz JRHOTQUYDSJQAY-UHFFFAOYSA-N 2 0 368.522 0.501 10 0 FCAERP C[C@@H](CCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+]1CCCCC1 ZINC000627387052 493195101 /nfs/dbraw/zinc/19/51/01/493195101.db2.gz DUDWSEPCQWPZFQ-ZYSHUDEJSA-N 2 0 350.507 0.825 10 0 FCAERP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000627388520 493196258 /nfs/dbraw/zinc/19/62/58/493196258.db2.gz XUKZYCCBPMBVQA-RDJZCZTQSA-N 2 0 374.485 0.390 10 0 FCAERP [NH3+]CCCOCCNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000627390149 493197165 /nfs/dbraw/zinc/19/71/65/493197165.db2.gz DJILAQJJYUTJRM-UHFFFAOYSA-N 2 0 362.474 0.249 10 0 FCAERP CN(C(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659364708 493197696 /nfs/dbraw/zinc/19/76/96/493197696.db2.gz OLNUQHHBKXVLHJ-IAGOWNOFSA-N 2 0 364.490 0.005 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627395242 493201519 /nfs/dbraw/zinc/20/15/19/493201519.db2.gz DWALKFYDWDSWIY-AGIUHOORSA-N 2 0 366.428 0.819 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000627400142 493203058 /nfs/dbraw/zinc/20/30/58/493203058.db2.gz KWEWSWACGUSLOK-UHFFFAOYSA-N 2 0 366.506 0.206 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000627407761 493205843 /nfs/dbraw/zinc/20/58/43/493205843.db2.gz DPMDPAPFTMJVLH-MRXNPFEDSA-N 2 0 366.506 0.348 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000627417284 493209326 /nfs/dbraw/zinc/20/93/26/493209326.db2.gz VNDQQXZYTZDSFU-HZPDHXFCSA-N 2 0 366.506 0.204 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000627420278 493209823 /nfs/dbraw/zinc/20/98/23/493209823.db2.gz DAMDDNKEHXIQNP-HOTGVXAUSA-N 2 0 366.506 0.333 10 0 FCAERP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666979086 493245101 /nfs/dbraw/zinc/24/51/01/493245101.db2.gz LPJGIYXWIIVEMS-BFYDXBDKSA-N 2 0 354.495 0.336 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000659678723 493247256 /nfs/dbraw/zinc/24/72/56/493247256.db2.gz OZEYDWZQINBOHA-NUEKZKHPSA-N 2 0 350.438 0.521 10 0 FCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659682002 493249208 /nfs/dbraw/zinc/24/92/08/493249208.db2.gz DNIUVLKAPGPJJE-IVSQAGSJSA-N 2 0 356.470 0.806 10 0 FCAERP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659687709 493253663 /nfs/dbraw/zinc/25/36/63/493253663.db2.gz YJQCVXQYFHHSFY-HUUCEWRRSA-N 2 0 366.437 0.141 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC[C@H]1F ZINC000659698482 493259458 /nfs/dbraw/zinc/25/94/58/493259458.db2.gz OBRLNHAQMYZYBX-ZACQAIPSSA-N 2 0 362.449 0.837 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659701247 493261165 /nfs/dbraw/zinc/26/11/65/493261165.db2.gz ZPTWTYCRMKBKDS-ABKMUHTPSA-N 2 0 356.470 0.491 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)[N@H+](C)C1CC1 ZINC000659702283 493262521 /nfs/dbraw/zinc/26/25/21/493262521.db2.gz ODFDDSBZEPPKNN-GDBMZVCRSA-N 2 0 350.507 0.824 10 0 FCAERP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000659706406 493264225 /nfs/dbraw/zinc/26/42/25/493264225.db2.gz KSPYXVMCNBQGJT-SJORKVTESA-N 2 0 366.506 0.062 10 0 FCAERP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000659706610 493265465 /nfs/dbraw/zinc/26/54/65/493265465.db2.gz NUQCQIGFWQVIJP-HZPDHXFCSA-N 2 0 350.438 0.305 10 0 FCAERP [NH3+]CCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659709892 493267195 /nfs/dbraw/zinc/26/71/95/493267195.db2.gz MWTYXXTZNUGXNQ-KRWDZBQOSA-N 2 0 358.486 0.870 10 0 FCAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659711131 493267204 /nfs/dbraw/zinc/26/72/04/493267204.db2.gz XABWWWUNWDNYGY-KSZLIROESA-N 2 0 362.518 0.968 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659735304 493278777 /nfs/dbraw/zinc/27/87/77/493278777.db2.gz ZBFOVQWUCSSLCQ-MRXNPFEDSA-N 2 0 365.522 0.003 10 0 FCAERP CCN(C(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659739829 493280349 /nfs/dbraw/zinc/28/03/49/493280349.db2.gz IHXOKXVZADRTKE-IDYZSHNDSA-N 2 0 370.497 0.978 10 0 FCAERP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000659740066 493280691 /nfs/dbraw/zinc/28/06/91/493280691.db2.gz KBNZYALZKPRUDB-QZTJIDSGSA-N 2 0 370.497 0.965 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000673174254 493298285 /nfs/dbraw/zinc/29/82/85/493298285.db2.gz NEIHXAALZCENNC-NXHRZFHOSA-N 2 0 358.486 0.834 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000668023030 493314910 /nfs/dbraw/zinc/31/49/10/493314910.db2.gz WIWKPBTUIRLJSN-JCECYMMASA-N 2 0 364.534 0.974 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668795053 493412297 /nfs/dbraw/zinc/41/22/97/493412297.db2.gz VEBGRMJZKLPDLY-IAGOWNOFSA-N 2 0 368.522 0.546 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[N@H+](C)C1CC1 ZINC000668796689 493412643 /nfs/dbraw/zinc/41/26/43/493412643.db2.gz ZRWCRSPPLFSWLW-GDBMZVCRSA-N 2 0 354.495 0.155 10 0 FCAERP CCN(C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000668827104 493416812 /nfs/dbraw/zinc/41/68/12/493416812.db2.gz QFFJZYBQDBRINX-INIZCTEOSA-N 2 0 366.506 0.300 10 0 FCAERP O=C(CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)N1CC[NH2+]CC1 ZINC000668864762 493424781 /nfs/dbraw/zinc/42/47/81/493424781.db2.gz QMCRWWKUTNNTEQ-UHFFFAOYSA-N 2 0 373.501 0.904 10 0 FCAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668933540 493440051 /nfs/dbraw/zinc/44/00/51/493440051.db2.gz HJIGUJBIPARCCP-RDJZCZTQSA-N 2 0 366.506 0.035 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](C)[C@H]2CCO)C1 ZINC000661490148 493442479 /nfs/dbraw/zinc/44/24/79/493442479.db2.gz QLGAJUDKJVQDFX-KZNAEPCWSA-N 2 0 355.523 0.942 10 0 FCAERP C[N@@H+]1CCN(CCNC(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1(C)C ZINC000668992047 493447970 /nfs/dbraw/zinc/44/79/70/493447970.db2.gz KSFIMUFFIROLGR-HNNXBMFYSA-N 2 0 367.538 0.118 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1=O ZINC000661854384 493468945 /nfs/dbraw/zinc/46/89/45/493468945.db2.gz JQYVUFWBZJOWDM-INIZCTEOSA-N 2 0 365.522 0.809 10 0 FCAERP CCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000669250358 493482511 /nfs/dbraw/zinc/48/25/11/493482511.db2.gz JKIMVYJTXMYHAQ-SJORKVTESA-N 2 0 368.522 0.546 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000662152860 493493150 /nfs/dbraw/zinc/49/31/50/493493150.db2.gz IHCGSWHBSMHDJM-VQTJNVASSA-N 2 0 374.529 0.937 10 0 FCAERP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000662293825 493504516 /nfs/dbraw/zinc/50/45/16/493504516.db2.gz OIQFKAJQAYXSHW-HNNXBMFYSA-N 2 0 355.508 0.410 10 0 FCAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000675898893 493511257 /nfs/dbraw/zinc/51/12/57/493511257.db2.gz RALBDBFJWVZQLK-PMACEKPBSA-N 2 0 374.529 0.718 10 0 FCAERP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000676089262 493522679 /nfs/dbraw/zinc/52/26/79/493522679.db2.gz DOIFOLOMOYQJIK-GJZGRUSLSA-N 2 0 364.494 0.762 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000662517786 493523166 /nfs/dbraw/zinc/52/31/66/493523166.db2.gz MEVMSBYFFQAGRW-CQSZACIVSA-N 2 0 366.437 0.915 10 0 FCAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676093963 493523532 /nfs/dbraw/zinc/52/35/32/493523532.db2.gz DIVWQLPYVQZREW-GJZGRUSLSA-N 2 0 364.494 0.762 10 0 FCAERP CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[NH+]1CCCC1 ZINC000676091429 493523577 /nfs/dbraw/zinc/52/35/77/493523577.db2.gz LBIFHGVVHCCWGE-INIZCTEOSA-N 2 0 364.494 0.620 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cn1 ZINC000676094201 493523663 /nfs/dbraw/zinc/52/36/63/493523663.db2.gz DYXXOKABBTZKFH-INIZCTEOSA-N 2 0 362.478 0.470 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC000676098911 493524979 /nfs/dbraw/zinc/52/49/79/493524979.db2.gz HGEHAEULGGVVIS-GDBMZVCRSA-N 2 0 364.494 0.714 10 0 FCAERP C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[N@@H+]1C1CC1 ZINC000676099193 493525361 /nfs/dbraw/zinc/52/53/61/493525361.db2.gz LKVCYXBPPUCAOL-STQMWFEESA-N 2 0 354.414 0.947 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000662742715 493536103 /nfs/dbraw/zinc/53/61/03/493536103.db2.gz GWASBMVQFQTONK-KRWDZBQOSA-N 2 0 364.465 0.975 10 0 FCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662846656 493546844 /nfs/dbraw/zinc/54/68/44/493546844.db2.gz PYSWMLGSOBOIFS-KRWDZBQOSA-N 2 0 354.495 0.093 10 0 FCAERP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662860907 493547753 /nfs/dbraw/zinc/54/77/53/493547753.db2.gz VIDHCRJORUZADW-IRXDYDNUSA-N 2 0 369.469 0.983 10 0 FCAERP COCC1(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC[NH2+]CC1 ZINC000662860449 493547803 /nfs/dbraw/zinc/54/78/03/493547803.db2.gz RXJQTPIVGJYADN-SFHVURJKSA-N 2 0 361.486 0.886 10 0 FCAERP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662921429 493553439 /nfs/dbraw/zinc/55/34/39/493553439.db2.gz AAPWIKZKEFYVMW-KRWDZBQOSA-N 2 0 350.507 0.779 10 0 FCAERP CN(C(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662924359 493554382 /nfs/dbraw/zinc/55/43/82/493554382.db2.gz XZIWEONDFOATGD-OHTSDLOESA-N 2 0 356.470 0.669 10 0 FCAERP O=C(C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000662930619 493555544 /nfs/dbraw/zinc/55/55/44/493555544.db2.gz SPUJDXGULVSIGX-ZWKOTPCHSA-N 2 0 362.518 0.921 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CCO1 ZINC000662963701 493561949 /nfs/dbraw/zinc/56/19/49/493561949.db2.gz SCGGKWSGQRATAD-MRXNPFEDSA-N 2 0 354.495 0.143 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CCO1 ZINC000662971955 493562559 /nfs/dbraw/zinc/56/25/59/493562559.db2.gz GXSCPXDSSGWNKA-HUUCEWRRSA-N 2 0 350.467 0.213 10 0 FCAERP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663016210 493566626 /nfs/dbraw/zinc/56/66/26/493566626.db2.gz BOYYLMZPUFAHDN-INMHGKMJSA-N 2 0 360.506 0.913 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000663309277 493583789 /nfs/dbraw/zinc/58/37/89/493583789.db2.gz NAUJIULCSGEOGN-NSHDSACASA-N 2 0 371.429 0.572 10 0 FCAERP C[C@@]([NH3+])(C(=O)N1CCOC2(C[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000663492203 493592422 /nfs/dbraw/zinc/59/24/22/493592422.db2.gz OTUGNPHMFRJJCJ-AWEZNQCLSA-N 2 0 354.248 0.824 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC000663580854 493601100 /nfs/dbraw/zinc/60/11/00/493601100.db2.gz WKTYGQHDABSIJC-SFHVURJKSA-N 2 0 369.554 0.765 10 0 FCAERP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000670879494 493608889 /nfs/dbraw/zinc/60/88/89/493608889.db2.gz KMXHXMPZDNBNEJ-KRWDZBQOSA-N 2 0 359.474 0.373 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000663893771 493623791 /nfs/dbraw/zinc/62/37/91/493623791.db2.gz OTBJKDBYCYFXMJ-UHFFFAOYSA-N 2 0 355.527 0.770 10 0 FCAERP C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC000663956071 493627638 /nfs/dbraw/zinc/62/76/38/493627638.db2.gz BHLCHZOEGWAGCX-YVSFHVDLSA-N 2 0 350.507 0.824 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671106896 493635830 /nfs/dbraw/zinc/63/58/30/493635830.db2.gz DXVXHQMCISVJKG-BHUNQDJPSA-N 2 0 350.507 0.966 10 0 FCAERP CCN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000664141748 493639409 /nfs/dbraw/zinc/63/94/09/493639409.db2.gz BWYQYEOOUOGDEV-IRXDYDNUSA-N 2 0 353.511 0.129 10 0 FCAERP CN1CC[NH+](CCCCNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000664177307 493641650 /nfs/dbraw/zinc/64/16/50/493641650.db2.gz ZQVFRDIBXSAPBM-SFHVURJKSA-N 2 0 369.554 0.766 10 0 FCAERP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)N1CCc2sccc2C1 ZINC000671150748 493643612 /nfs/dbraw/zinc/64/36/12/493643612.db2.gz IPEGGLZCDVIKPO-HIFRSBDPSA-N 2 0 364.515 0.821 10 0 FCAERP CC(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)N1CCCC1 ZINC000678776096 493659858 /nfs/dbraw/zinc/65/98/58/493659858.db2.gz DCFMLTQKYDVVSH-SFHVURJKSA-N 2 0 350.507 0.966 10 0 FCAERP CN(CCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc[nH+]cc1 ZINC000679408540 493678759 /nfs/dbraw/zinc/67/87/59/493678759.db2.gz IUJUQLUUUGIRSG-KRWDZBQOSA-N 2 0 361.490 0.431 10 0 FCAERP CCn1cccc(CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1=O ZINC000664776613 493683116 /nfs/dbraw/zinc/68/31/16/493683116.db2.gz MAIHEFZDQANXDR-HNNXBMFYSA-N 2 0 351.495 0.939 10 0 FCAERP CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)[C@H]2C1 ZINC000664915790 493689975 /nfs/dbraw/zinc/68/99/75/493689975.db2.gz LVDHLNORFIKOOT-BZSNNMDCSA-N 2 0 367.538 0.816 10 0 FCAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665363165 493711900 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368.522 0.404 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C(C)(C)CN2CCOCC2)C1 ZINC000412003508 528016914 /nfs/dbraw/zinc/01/69/14/528016914.db2.gz PWLXQPZBVJHCQX-QGZVFWFLSA-N 2 0 370.538 0.160 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000418859901 535444603 /nfs/dbraw/zinc/44/46/03/535444603.db2.gz CCTIKFXYMHMETE-BBWFWOEESA-N 2 0 350.507 0.810 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000419457510 536751207 /nfs/dbraw/zinc/75/12/07/536751207.db2.gz WVLYBJCFZGPXNR-JKSUJKDBSA-N 2 0 370.538 0.972 10 0 FCAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000422992428 536850562 /nfs/dbraw/zinc/85/05/62/536850562.db2.gz QAQKLPLYZYTNKW-GBESFXJTSA-N 2 0 360.502 0.929 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C(N)=O)CC[C@H]2C)C1 ZINC000363475471 546529020 /nfs/dbraw/zinc/52/90/20/546529020.db2.gz AQCKIQUXPOUFTP-OWCLPIDISA-N 2 0 354.495 0.045 10 0 FCAERP 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GJJJZTGMUJWPIT-INIZCTEOSA-N 2 0 359.536 0.627 10 0 FCAERP CC(C)N1CC[NH+](C2CCN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)CC2)CC1 ZINC000901238408 667085745 /nfs/dbraw/zinc/08/57/45/667085745.db2.gz DUFSRBGLTHCURO-HKUYNNGSSA-N 2 0 352.523 0.459 10 0 FCAERP CCO[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C[NH+](C)C ZINC000921532444 667103805 /nfs/dbraw/zinc/10/38/05/667103805.db2.gz SBBXIMYYLDBQKN-BRWVUGGUSA-N 2 0 356.511 0.630 10 0 FCAERP C[C@@H]1[C@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000922872709 667689165 /nfs/dbraw/zinc/68/91/65/667689165.db2.gz NKEYUBZXHCINTL-HZPDHXFCSA-N 2 0 353.511 0.175 10 0 FCAERP CCOCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923396989 667830893 /nfs/dbraw/zinc/83/08/93/667830893.db2.gz ADDXTRHULGVTIL-HZPDHXFCSA-N 2 0 351.495 0.786 10 0 FCAERP O[C@H](COC1CCOCC1)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923430741 667834753 /nfs/dbraw/zinc/83/47/53/667834753.db2.gz JWNABFFSSZQBQA-KSZLIROESA-N 2 0 353.507 0.444 10 0 FCAERP COC(=O)CCN1CCC[C@H]([NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1=O ZINC000923449588 667837104 /nfs/dbraw/zinc/83/71/04/667837104.db2.gz ANTAAEIWFQIGGD-CABCVRRESA-N 2 0 353.463 0.370 10 0 FCAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCNS(=O)(=O)c1ccccc1)CC2 ZINC000923450583 667837440 /nfs/dbraw/zinc/83/74/40/667837440.db2.gz WFSYPOAVBUNSRT-HNNXBMFYSA-N 2 0 353.488 0.795 10 0 FCAERP C[C@@H]1CN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC[C@H]1C[NH3+] ZINC000923494438 667841125 /nfs/dbraw/zinc/84/11/25/667841125.db2.gz MXHRYXMJVSZIEQ-HIFRSBDPSA-N 2 0 353.488 0.623 10 0 FCAERP C[C@@H]1C[N@@H+](Cc2ccc(CNS(=O)(=O)C3C[NH2+]C3)cc2)C[C@H](C)O1 ZINC000923588849 667852919 /nfs/dbraw/zinc/85/29/19/667852919.db2.gz LVHKQDDAMWBIKT-OKILXGFUSA-N 2 0 353.488 0.687 10 0 FCAERP COC(=O)Nc1ccc(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000819086294 668977467 /nfs/dbraw/zinc/97/74/67/668977467.db2.gz NHWQLPNPQKLYKJ-QGZVFWFLSA-N 2 0 350.463 0.605 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C[NH+](C)C ZINC000825148453 669438830 /nfs/dbraw/zinc/43/88/30/669438830.db2.gz XPTJMVGTMXKQNW-IAGOWNOFSA-N 3 0 354.539 0.543 10 0 FCAERP CCN(OC)C(=O)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000828160322 669621111 /nfs/dbraw/zinc/62/11/11/669621111.db2.gz XOCBPGNCPJIUPR-OAHLLOKOSA-N 2 0 357.499 0.454 10 0 FCAERP C[C@H]1C[C@H](C)CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867277937 670614948 /nfs/dbraw/zinc/61/49/48/670614948.db2.gz IPXSAFYQIOPWIO-MWDXBVQZSA-N 2 0 352.523 0.689 10 0 FCAERP CC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[C@@H](O)c1c(F)cccc1F ZINC000843094806 670774702 /nfs/dbraw/zinc/77/47/02/670774702.db2.gz LFHCAMCWDSLCCV-RPVQJOFSSA-N 2 0 357.445 0.975 10 0 FCAERP C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000867413110 671101930 /nfs/dbraw/zinc/10/19/30/671101930.db2.gz VZPKAMVONKKWCV-GVDBMIGSSA-N 2 0 352.523 0.833 10 0 FCAERP C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H]1C ZINC000867426811 671117330 /nfs/dbraw/zinc/11/73/30/671117330.db2.gz GAIWCTAIEXLWMQ-MWDXBVQZSA-N 2 0 352.523 0.831 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849522781 671351747 /nfs/dbraw/zinc/35/17/47/671351747.db2.gz OMLHRAHYWFAMMZ-SJORKVTESA-N 2 0 351.495 0.492 10 0 FCAERP CS[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C[C@H]1[NH+](C)C ZINC000849569405 671353041 /nfs/dbraw/zinc/35/30/41/671353041.db2.gz SZBVMOOGCBSVAE-QBPKDAKJSA-N 2 0 365.547 0.959 10 0 FCAERP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903495106 675933667 /nfs/dbraw/zinc/93/36/67/675933667.db2.gz VLPZPFMBEFPTGS-ZOWXZIJZSA-N 2 0 365.396 1.000 10 0 FCAERP CC1(C)CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1[NH3+] ZINC000903556371 675943927 /nfs/dbraw/zinc/94/39/27/675943927.db2.gz WZJBBRUKZDPOGH-INIZCTEOSA-N 2 0 352.523 0.807 10 0 FCAERP CCCC[C@H](C[NH3+])NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861641415 671976817 /nfs/dbraw/zinc/97/68/17/671976817.db2.gz RRKWIZKLQGYQBO-YUELXQCFSA-N 2 0 353.467 0.471 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903719481 675963516 /nfs/dbraw/zinc/96/35/16/675963516.db2.gz MBGARLBSYNSUAD-JHJVBQTASA-N 2 0 364.412 0.667 10 0 FCAERP CC(C)[C@@H](C)N(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903720197 675963524 /nfs/dbraw/zinc/96/35/24/675963524.db2.gz IGLRTYXDTFCAEU-OIISXLGYSA-N 2 0 350.507 0.917 10 0 FCAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903731058 675964799 /nfs/dbraw/zinc/96/47/99/675964799.db2.gz VKULJSIMIDMBOZ-RAIGVLPGSA-N 2 0 364.412 0.523 10 0 FCAERP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903732188 675964946 /nfs/dbraw/zinc/96/49/46/675964946.db2.gz QIWRAPQPGRDVQK-QWHCGFSZSA-N 2 0 364.412 0.667 10 0 FCAERP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903735270 675965310 /nfs/dbraw/zinc/96/53/10/675965310.db2.gz JIKLCRCDXGFBCX-GRYCIOLGSA-N 2 0 350.385 0.277 10 0 FCAERP COc1cnc(F)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000861819112 671998943 /nfs/dbraw/zinc/99/89/43/671998943.db2.gz CWLXSQMNMGXASN-UHFFFAOYSA-N 2 0 355.414 0.120 10 0 FCAERP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903747900 675967201 /nfs/dbraw/zinc/96/72/01/675967201.db2.gz WZOWIPVTXBVBCP-CQSZACIVSA-N 2 0 352.504 0.834 10 0 FCAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903753440 675967841 /nfs/dbraw/zinc/96/78/41/675967841.db2.gz PIJFLIIORXMSBH-UMSGYPCISA-N 2 0 362.396 0.277 10 0 FCAERP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903759246 675969157 /nfs/dbraw/zinc/96/91/57/675969157.db2.gz NGSNVMPGTZAREL-RYUDHWBXSA-N 2 0 350.385 0.277 10 0 FCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903759796 675969260 /nfs/dbraw/zinc/96/92/60/675969260.db2.gz QKITUYFLKXMHAN-LPWJVIDDSA-N 2 0 362.396 0.277 10 0 FCAERP O=S(=O)(Cc1ccon1)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903898208 675981224 /nfs/dbraw/zinc/98/12/24/675981224.db2.gz MHWLEKYALSLNEB-GOOCMWNKSA-N 2 0 354.476 0.653 10 0 FCAERP C[C@@H]1[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000863587539 672140572 /nfs/dbraw/zinc/14/05/72/672140572.db2.gz YKFOAMJVOAKCRO-PMPSAXMXSA-N 2 0 356.511 0.582 10 0 FCAERP CCOC(=O)CC1([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000903932378 675983600 /nfs/dbraw/zinc/98/36/00/675983600.db2.gz CFDWAFWDRBQKLZ-AWEZNQCLSA-N 2 0 351.451 0.795 10 0 FCAERP C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H](C(=O)NCC3([NH2+]C)CCC3)C2)CCC1 ZINC000863922579 672161466 /nfs/dbraw/zinc/16/14/66/672161466.db2.gz WLLJPOOIQCUPPY-GASCZTMLSA-N 2 0 350.507 0.919 10 0 FCAERP C[NH+](C)CCOc1ccc(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc1 ZINC000903969553 675984998 /nfs/dbraw/zinc/98/49/98/675984998.db2.gz ZRFLPMYZPRSNHA-QGZVFWFLSA-N 2 0 355.504 0.493 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866815031 672310772 /nfs/dbraw/zinc/31/07/72/672310772.db2.gz YKKNFIVPFVGBDM-KRWDZBQOSA-N 2 0 360.568 0.651 10 0 FCAERP C[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867542718 672334797 /nfs/dbraw/zinc/33/47/97/672334797.db2.gz NIKSIWWQBIIJQK-YYIAUSFCSA-N 2 0 352.523 0.831 10 0 FCAERP Cc1nc(CS(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cs1 ZINC000867589801 672343332 /nfs/dbraw/zinc/34/33/32/672343332.db2.gz JZLLBCLOZXPWLS-ZIAGYGMSSA-N 2 0 360.549 0.953 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cnn(CC3CC3)c2)C[C@H]1C[NH+](C)C ZINC000867590368 672343779 /nfs/dbraw/zinc/34/37/79/672343779.db2.gz QMXNRKJSBKJLBT-HZPDHXFCSA-N 2 0 369.535 0.653 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cnn3c2OCCC3)C[C@H]1C[NH+](C)C ZINC000867591037 672343967 /nfs/dbraw/zinc/34/39/67/672343967.db2.gz XTFIAYSYDDHCDX-ZIAGYGMSSA-N 2 0 371.507 0.026 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000867618311 672348572 /nfs/dbraw/zinc/34/85/72/672348572.db2.gz CRQLYUCJXZDAQN-UHFFFAOYSA-N 2 0 372.579 0.762 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)n1 ZINC000868268031 672391619 /nfs/dbraw/zinc/39/16/19/672391619.db2.gz WGECHXLJCXHHHR-ZDUSSCGKSA-N 2 0 350.467 0.278 10 0 FCAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000868369300 672396081 /nfs/dbraw/zinc/39/60/81/672396081.db2.gz YVGDEKJCAKATBJ-BEFAXECRSA-N 2 0 350.507 0.907 10 0 FCAERP CC(C)C[C@]1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCNC1=O ZINC000870016526 672461363 /nfs/dbraw/zinc/46/13/63/672461363.db2.gz NKQDEYJBUZZKOE-GPMSIDNRSA-N 2 0 352.523 0.737 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CNC(=O)OCC(F)(F)F)C[C@H]1C[NH+](C)C ZINC000870021996 672462104 /nfs/dbraw/zinc/46/21/04/672462104.db2.gz MKZWQSDCNHQFNC-VXGBXAGGSA-N 2 0 368.400 0.473 10 0 FCAERP CC(C)CN1C[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC000870023709 672462503 /nfs/dbraw/zinc/46/25/03/672462503.db2.gz JNDHIFPTOXHBIL-GVDBMIGSSA-N 2 0 352.523 0.689 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997042 672524423 /nfs/dbraw/zinc/52/44/23/672524423.db2.gz JPYIICALKYBCQV-JJXSEGSLSA-N 2 0 350.463 0.644 10 0 FCAERP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000872191594 672599955 /nfs/dbraw/zinc/59/99/55/672599955.db2.gz YREHTCGDBPMWEN-QJPTWQEYSA-N 2 0 350.385 0.135 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000872192145 672600193 /nfs/dbraw/zinc/60/01/93/672600193.db2.gz FHHSJTMPCSGLIO-XQQFMLRXSA-N 2 0 364.412 0.571 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000872192143 672600277 /nfs/dbraw/zinc/60/02/77/672600277.db2.gz FHHSJTMPCSGLIO-JHJVBQTASA-N 2 0 364.412 0.571 10 0 FCAERP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)C2)C1 ZINC000872194714 672602362 /nfs/dbraw/zinc/60/23/62/672602362.db2.gz KEMRUHSVQVCFEK-HUBLWGQQSA-N 2 0 362.396 0.136 10 0 FCAERP COC(=O)C1=CC[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000875800572 672916163 /nfs/dbraw/zinc/91/61/63/672916163.db2.gz NWGJFMQJHYYCMN-BZUAXINKSA-N 2 0 352.479 0.629 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C[C@H]1C[NH+](C)C ZINC000875994919 672930244 /nfs/dbraw/zinc/93/02/44/672930244.db2.gz BEOVGSLFNTXLSQ-TUZULJEYSA-N 2 0 350.507 0.791 10 0 FCAERP CNC(=O)C1([NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCCC1 ZINC000074322742 673785731 /nfs/dbraw/zinc/78/57/31/673785731.db2.gz AIHGPOPPVNZKHI-HNNXBMFYSA-N 2 0 354.495 0.108 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926394217 673829469 /nfs/dbraw/zinc/82/94/69/673829469.db2.gz ALVXDBUUCXOMOX-HZPDHXFCSA-N 2 0 350.507 0.907 10 0 FCAERP CC(C)C[C@@H]1CN(C)CCN1C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000926442710 673831487 /nfs/dbraw/zinc/83/14/87/673831487.db2.gz LSHYKXFKBLXZKB-VQIMIIECSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000926684249 673839958 /nfs/dbraw/zinc/83/99/58/673839958.db2.gz FGSMJSQSKFWZSH-HOTGVXAUSA-N 2 0 362.584 0.908 10 0 FCAERP CCO[C@@H](CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)C[NH+](C)C ZINC000926850762 673845814 /nfs/dbraw/zinc/84/58/14/673845814.db2.gz RRVMOOMJOXERDF-KRWDZBQOSA-N 2 0 355.527 0.375 10 0 FCAERP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000927635190 673872253 /nfs/dbraw/zinc/87/22/53/673872253.db2.gz QBMSHBCBJMCCBB-WBVHZDCISA-N 2 0 354.495 0.386 10 0 FCAERP COCCOCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000928071839 673897802 /nfs/dbraw/zinc/89/78/02/673897802.db2.gz FAVUIKAOMFWYCX-HZPDHXFCSA-N 2 0 359.536 0.667 10 0 FCAERP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1=O ZINC000928090650 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QWMCVYVDPDWUPH-IXDOHACOSA-N 2 0 366.506 0.108 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CCOCC[NH+](C)[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001489212463 1208676784 /nfs/dbraw/zinc/67/67/84/1208676784.db2.gz RSSSNNGRFSJKEQ-GVDBMIGSSA-N 2 0 368.522 0.402 10 0 FCAERP CC[NH+](CC)CC(=O)N1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001489243818 1208682704 /nfs/dbraw/zinc/68/27/04/1208682704.db2.gz JSJNNPLTYJKTRN-JKSUJKDBSA-N 2 0 350.507 0.872 10 0 FCAERP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001489401738 1208834103 /nfs/dbraw/zinc/83/41/03/1208834103.db2.gz GTOQUKWNLYETLP-ARFHVFGLSA-N 2 0 368.522 0.137 10 0 FCAERP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)C[C@H]1OC ZINC001489534960 1208896286 /nfs/dbraw/zinc/89/62/86/1208896286.db2.gz JMYWXTQNOMYJSQ-BZUAXINKSA-N 2 0 354.495 0.012 10 0 FCAERP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2O)CCC1 ZINC001489589659 1209009498 /nfs/dbraw/zinc/00/94/98/1209009498.db2.gz 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FCAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]23COCCN2C(=O)COC3)[C@H](C)C1 ZINC000866553542 1209998877 /nfs/dbraw/zinc/99/88/77/1209998877.db2.gz DCKPBNHIOHGKMG-AOIWGVFYSA-N 2 0 369.506 0.341 10 0 FCAERP Cc1cccnc1NC(=O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000866669017 1210000733 /nfs/dbraw/zinc/00/07/33/1210000733.db2.gz MVQTVFUOVGBEKL-CABCVRRESA-N 2 0 359.430 0.586 10 0 FCAERP Cn1c(CC[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)nc2ccccc21 ZINC000866714505 1210004600 /nfs/dbraw/zinc/00/46/00/1210004600.db2.gz QFRKDVRWTRAZIB-XKQJLSEDSA-N 2 0 355.442 0.983 10 0 FCAERP C[C@H]1N(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCOC1(C)C ZINC000867495369 1210009398 /nfs/dbraw/zinc/00/93/98/1210009398.db2.gz ZGOCKSITFGGFGG-BZUAXINKSA-N 2 0 368.522 0.210 10 0 FCAERP CC(C)C[C@H](CO)N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867560186 1210013170 /nfs/dbraw/zinc/01/31/70/1210013170.db2.gz XMTRMAXTSFFWTQ-BRWVUGGUSA-N 2 0 370.538 0.050 10 0 FCAERP 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CN1C(=O)CCc2cc(C[N@@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)ccc21 ZINC000872257846 1210183486 /nfs/dbraw/zinc/18/34/86/1210183486.db2.gz ZCCBLXZAMMRETA-JQHSSLGASA-N 2 0 370.453 0.963 10 0 FCAERP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872264608 1210184659 /nfs/dbraw/zinc/18/46/59/1210184659.db2.gz WNAVPBDRADKHDQ-FGTMMUONSA-N 2 0 370.453 0.657 10 0 FCAERP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872264253 1210184934 /nfs/dbraw/zinc/18/49/34/1210184934.db2.gz KLAYYMJFEFUHOD-BBWFWOEESA-N 2 0 358.442 0.340 10 0 FCAERP C[C@@H](CC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[C@@H]1CCC[NH2+]C1 ZINC000872264425 1210185028 /nfs/dbraw/zinc/18/50/28/1210185028.db2.gz QJTUSYTUFISMFX-ABFRBSLYSA-N 2 0 364.490 0.796 10 0 FCAERP CC(C)[C@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCCCC1 ZINC000872304485 1210188372 /nfs/dbraw/zinc/18/83/72/1210188372.db2.gz XNVVIPZWYQCNNF-VVLHAWIVSA-N 2 0 364.490 0.890 10 0 FCAERP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872307851 1210190893 /nfs/dbraw/zinc/19/08/93/1210190893.db2.gz LWOUGESAMPYEKP-MXASKKJJSA-N 2 0 356.426 0.267 10 0 FCAERP Cc1ccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(=O)n1C ZINC000875539879 1210378453 /nfs/dbraw/zinc/37/84/53/1210378453.db2.gz YDCSEVOMLQGEMR-IAGOWNOFSA-N 2 0 363.506 0.575 10 0 FCAERP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](O)[C@@H](O)C1 ZINC000879611747 1210491525 /nfs/dbraw/zinc/49/15/25/1210491525.db2.gz XJTBATLBDLMIGW-IPELMVKDSA-N 2 0 361.486 0.583 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001490823945 1211411955 /nfs/dbraw/zinc/41/19/55/1211411955.db2.gz AYWZIYDRNRQNRR-SOUVJXGZSA-N 2 0 360.462 0.336 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)N3CCNCC[NH2+]CC3)c2)CC1 ZINC000926095226 1211515966 /nfs/dbraw/zinc/51/59/66/1211515966.db2.gz JLKQRDVFSHCHKL-UHFFFAOYSA-N 2 0 360.506 0.855 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC000926313686 1211529325 /nfs/dbraw/zinc/52/93/25/1211529325.db2.gz GJEZPGFIJYGOTC-HOCLYGCPSA-N 2 0 364.490 0.922 10 0 FCAERP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926325571 1211531054 /nfs/dbraw/zinc/53/10/54/1211531054.db2.gz HBDBMBWEIZBQBM-IBGZPJMESA-N 2 0 362.474 0.019 10 0 FCAERP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926334811 1211533572 /nfs/dbraw/zinc/53/35/72/1211533572.db2.gz LBYZPLVRFHCYAX-INIZCTEOSA-N 2 0 366.506 0.287 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000926352140 1211538012 /nfs/dbraw/zinc/53/80/12/1211538012.db2.gz NAFQRORABZJBPJ-HOTGVXAUSA-N 2 0 366.506 0.143 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000926352142 1211538476 /nfs/dbraw/zinc/53/84/76/1211538476.db2.gz NAFQRORABZJBPJ-JKSUJKDBSA-N 2 0 366.506 0.143 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC000926352459 1211538528 /nfs/dbraw/zinc/53/85/28/1211538528.db2.gz ODGNZSFPCUQMCI-GVDBMIGSSA-N 2 0 368.522 0.389 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[C@@H]1C[NH3+] ZINC000926369074 1211540618 /nfs/dbraw/zinc/54/06/18/1211540618.db2.gz ZUXCOSYTICRZBU-YFHUEUNASA-N 2 0 362.518 0.905 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[C@H]1C[NH3+] ZINC000926375757 1211541685 /nfs/dbraw/zinc/54/16/85/1211541685.db2.gz UYOTUFLNTGKKCA-IKGGRYGDSA-N 2 0 366.506 0.001 10 0 FCAERP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926396440 1211545396 /nfs/dbraw/zinc/54/53/96/1211545396.db2.gz GCOLCVGFLFWSBR-OAGGEKHMSA-N 2 0 359.474 0.562 10 0 FCAERP C[NH+](C)C[C@@H]1NC(=O)N(c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1=O ZINC000927267797 1211569038 /nfs/dbraw/zinc/56/90/38/1211569038.db2.gz SQBNFMRAFUENKR-SJORKVTESA-N 2 0 357.458 0.957 10 0 FCAERP C[NH+](C)C[C@@H]1NC(=O)N(c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1=O ZINC000927267796 1211569323 /nfs/dbraw/zinc/56/93/23/1211569323.db2.gz SQBNFMRAFUENKR-IRXDYDNUSA-N 2 0 357.458 0.957 10 0 FCAERP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000927634260 1211577802 /nfs/dbraw/zinc/57/78/02/1211577802.db2.gz IBWJTHHNFBDRJG-GOSISDBHSA-N 2 0 369.554 0.765 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927639510 1211579008 /nfs/dbraw/zinc/57/90/08/1211579008.db2.gz BPHOCXHICVNKNM-ZWKOTPCHSA-N 2 0 368.522 0.992 10 0 FCAERP Cc1cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)ccc1OCC[NH+](C)C ZINC000927814467 1211583066 /nfs/dbraw/zinc/58/30/66/1211583066.db2.gz CBWSFLFWVNHPMK-CABCVRRESA-N 2 0 362.474 0.846 10 0 FCAERP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3C[NH2+]C[C@H]3C)cc2)CC1 ZINC000927812857 1211583083 /nfs/dbraw/zinc/58/30/83/1211583083.db2.gz LHHUZFJVOUTIEU-CRAIPNDOSA-N 2 0 373.501 0.487 10 0 FCAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000927924894 1211592986 /nfs/dbraw/zinc/59/29/86/1211592986.db2.gz GNQFLVDWKZQQCQ-GOSISDBHSA-N 2 0 354.414 0.950 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2cccc(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)c2N)CC[NH+]1C ZINC000928432475 1211602319 /nfs/dbraw/zinc/60/23/19/1211602319.db2.gz JWGJBSISACCSKO-KFZJALRRSA-N 2 0 373.501 0.914 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2cccc(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)n2)CC[NH+]1C ZINC000928429091 1211602483 /nfs/dbraw/zinc/60/24/83/1211602483.db2.gz ZGUNZLILJVXBMR-TUVASFSCSA-N 2 0 359.474 0.726 10 0 FCAERP CC(C)[NH+](CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)C(C)C ZINC000929145023 1211618988 /nfs/dbraw/zinc/61/89/88/1211618988.db2.gz YMYSEVZOHBOKBT-SJORKVTESA-N 2 0 368.522 0.279 10 0 FCAERP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000929244752 1211625141 /nfs/dbraw/zinc/62/51/41/1211625141.db2.gz MOSRVRJOCCNQBW-DLBZAZTESA-N 2 0 366.506 0.036 10 0 FCAERP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000929244263 1211625417 /nfs/dbraw/zinc/62/54/17/1211625417.db2.gz MDNAWDCWKDOUQE-QGZVFWFLSA-N 2 0 366.506 0.348 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)c1cccnc1 ZINC000929289186 1211627866 /nfs/dbraw/zinc/62/78/66/1211627866.db2.gz ZYAVYDRCCOLDAB-SFHVURJKSA-N 2 0 373.501 0.934 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000929507552 1211642871 /nfs/dbraw/zinc/64/28/71/1211642871.db2.gz SDVALTSZRAVIAQ-SQNIBIBYSA-N 2 0 373.501 0.934 10 0 FCAERP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)C[NH+]1CCCC1 ZINC000929565583 1211647388 /nfs/dbraw/zinc/64/73/88/1211647388.db2.gz SJLVDSOAMOWGMP-WBVHZDCISA-N 2 0 366.506 0.204 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C[NH+](C)C ZINC000929698273 1211655321 /nfs/dbraw/zinc/65/53/21/1211655321.db2.gz HSBLNIHAXZNTEG-YYIAUSFCSA-N 2 0 370.538 0.552 10 0 FCAERP C[C@@H]1CN(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC(C)(C)O1 ZINC000929954010 1211674919 /nfs/dbraw/zinc/67/49/19/1211674919.db2.gz ROSVLDMGRDTCLE-OAHLLOKOSA-N 2 0 368.522 0.402 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[N@H+](C)C1CC1 ZINC000929960643 1211676596 /nfs/dbraw/zinc/67/65/96/1211676596.db2.gz UGNFMMLKPXBXHS-YOEHRIQHSA-N 2 0 361.490 0.790 10 0 FCAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000930201817 1211695631 /nfs/dbraw/zinc/69/56/31/1211695631.db2.gz HVRVKOPUHTVYPA-IXDOHACOSA-N 2 0 366.506 0.035 10 0 FCAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000930202214 1211695722 /nfs/dbraw/zinc/69/57/22/1211695722.db2.gz LBELLHYUHSZEST-RDJZCZTQSA-N 2 0 366.506 0.347 10 0 FCAERP C[N@H+](CCCCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)C1CC1 ZINC000930806082 1211722555 /nfs/dbraw/zinc/72/25/55/1211722555.db2.gz MIEGABPREOYPBW-KRWDZBQOSA-N 2 0 366.506 0.347 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@@H](C(N)=O)[C@H]2C)C1 ZINC000930916218 1211728292 /nfs/dbraw/zinc/72/82/92/1211728292.db2.gz OIBGTUQLPCIWJV-QBPKDAKJSA-N 2 0 368.522 0.434 10 0 FCAERP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CC[NH+]3C3CCCCC3)C[C@]2(C)C1 ZINC000931063048 1211737974 /nfs/dbraw/zinc/73/79/74/1211737974.db2.gz USIIOPCJVIZYMZ-MDYRTPRTSA-N 2 0 362.518 0.920 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2C[C@H]2C2CC2)C[C@H]1C[NH+](C)C ZINC000931431805 1211756386 /nfs/dbraw/zinc/75/63/86/1211756386.db2.gz PBUXNWRCLGGHOV-TVFCKZIOSA-N 2 0 364.534 0.737 10 0 FCAERP CON1CC[C@H]([NH+](C)[C@H]2CC[C@H]([N@@H+](C)[C@H]3CCN(OC)C3=O)CC2)C1=O ZINC000931737319 1211771815 /nfs/dbraw/zinc/77/18/15/1211771815.db2.gz HUDUMHXHIKIXHD-VGWMRTNUSA-N 2 0 368.478 0.486 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)C[C@@]3(O)CCC[N@H+](C)C3)cn2)CC1 ZINC000900066588 1217959141 /nfs/dbraw/zinc/95/91/41/1217959141.db2.gz UYHUMFNGTSDCHT-IBGZPJMESA-N 2 0 361.490 0.296 10 0 FCAERP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000900176578 1217967485 /nfs/dbraw/zinc/96/74/85/1217967485.db2.gz PKNMTIKBTSPEDJ-QUCCMNQESA-N 2 0 360.502 0.770 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900398664 1217985244 /nfs/dbraw/zinc/98/52/44/1217985244.db2.gz UBGDFKAOLOFBBO-LJQANCHMSA-N 2 0 361.490 0.296 10 0 FCAERP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000900454128 1217990107 /nfs/dbraw/zinc/99/01/07/1217990107.db2.gz BWNDUISXCOCWDI-PKOBYXMFSA-N 3 0 361.490 0.165 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CCCO1 ZINC000903737042 1218511445 /nfs/dbraw/zinc/51/14/45/1218511445.db2.gz IXZSYWCXQNFZNN-BHYGNILZSA-N 2 0 364.490 0.051 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000903750555 1218515767 /nfs/dbraw/zinc/51/57/67/1218515767.db2.gz NJEJFNMMJAUXGD-SJORKVTESA-N 2 0 358.486 0.915 10 0 FCAERP C[NH2+]CCN(C(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)C(C)C ZINC000903808925 1218542939 /nfs/dbraw/zinc/54/29/39/1218542939.db2.gz KVVUIRUJZRJVEM-UHFFFAOYSA-N 2 0 363.462 0.195 10 0 FCAERP c1nc(N2CCOCC2)cc(N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000903908352 1218561327 /nfs/dbraw/zinc/56/13/27/1218561327.db2.gz HHLFLARFIIRZKV-AYHJJNSGSA-N 2 0 372.517 0.966 10 0 FCAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)cnn1C ZINC000903928177 1218568189 /nfs/dbraw/zinc/56/81/89/1218568189.db2.gz WYRWDQOBXUKJKI-WBVHZDCISA-N 2 0 361.465 0.919 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000826882514 1218909666 /nfs/dbraw/zinc/90/96/66/1218909666.db2.gz MQBGCDOYZKCAKA-DLBZAZTESA-N 2 0 366.506 0.299 10 0 FCAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001490926633 1220045759 /nfs/dbraw/zinc/04/57/59/1220045759.db2.gz OQUTWEXBLASSLB-ZWOKBUDYSA-N 2 0 362.518 0.777 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO[C@@H]4CCOC4)C[C@H]32)CC[N@@H+]1C ZINC001491315673 1220109654 /nfs/dbraw/zinc/10/96/54/1220109654.db2.gz JZPYRAFVAHAIIW-QWFUGVESSA-N 2 0 365.518 0.959 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC001491337525 1220118029 /nfs/dbraw/zinc/11/80/29/1220118029.db2.gz YCSGIKWUBRSURP-HBUWYVDXSA-N 2 0 356.486 0.772 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118488937 1221788602 /nfs/dbraw/zinc/78/86/02/1221788602.db2.gz YFDAVDXRUWFDSX-GOSISDBHSA-N 2 0 374.485 0.392 10 0 FCAERP CCN(C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCCOC1 ZINC001119021517 1221856825 /nfs/dbraw/zinc/85/68/25/1221856825.db2.gz SYTHPWMLDFRBIX-BRWVUGGUSA-N 2 0 368.522 0.212 10 0 FCAERP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[C@@H]1C[NH+](C)CCN1C ZINC001119454752 1221919075 /nfs/dbraw/zinc/91/90/75/1221919075.db2.gz MQXZQHIRRUIPQY-HPBDAGMYSA-N 2 0 362.522 0.206 10 0 FCAERP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001119703927 1221953551 /nfs/dbraw/zinc/95/35/51/1221953551.db2.gz XQLLKXDRMISICC-IBGZPJMESA-N 2 0 368.522 0.269 10 0 FCAERP O=C(NC[C@H]1CCCC[N@H+]1CCO)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000838475981 1222681535 /nfs/dbraw/zinc/68/15/35/1222681535.db2.gz KRTBYPYXEYYPED-QZTJIDSGSA-N 2 0 368.522 0.776 10 0 FCAERP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849587874 1245405680 /nfs/dbraw/zinc/40/56/80/1245405680.db2.gz VVFAOAYCQVLBIQ-FGTMMUONSA-N 2 0 365.522 0.664 10 0 FCAERP CC[NH+](CC)CC(=O)N1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903890238 1245478643 /nfs/dbraw/zinc/47/86/43/1245478643.db2.gz AFMKQHKKLMKESK-INIZCTEOSA-N 2 0 363.510 0.189 10 0 FCAERP C[C@H]1[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000915542773 1245523515 /nfs/dbraw/zinc/52/35/15/1245523515.db2.gz POSNHHDXRHAJLG-FUHWJXTLSA-N 3 0 360.506 0.986 10 0 FCAERP CCO[C@@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C[NH+](C)C ZINC000917678377 1245559057 /nfs/dbraw/zinc/55/90/57/1245559057.db2.gz UPAQLWLNRZROIU-INIZCTEOSA-N 2 0 371.526 0.195 10 0 FCAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000923399100 1245714342 /nfs/dbraw/zinc/71/43/42/1245714342.db2.gz OAMGBSFSSGIUKV-JQHSSLGASA-N 2 0 361.442 0.683 10 0 FCAERP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCNCC[NH2+]CC2)CC1 ZINC000923462259 1245720694 /nfs/dbraw/zinc/72/06/94/1245720694.db2.gz GZIMPFKNOILBKJ-UHFFFAOYSA-N 2 0 373.545 0.524 10 0 FCAERP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452467 1245721042 /nfs/dbraw/zinc/72/10/42/1245721042.db2.gz VBDTWAPJRFSXPS-JKSUJKDBSA-N 2 0 367.490 0.760 10 0 FCAERP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923504698 1245724577 /nfs/dbraw/zinc/72/45/77/1245724577.db2.gz SZTWLEDYIKBMLO-GJZGRUSLSA-N 2 0 362.474 0.975 10 0 FCAERP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CCC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC001328424738 1265544655 /nfs/dbraw/zinc/54/46/55/1265544655.db2.gz HHEPDBYWVLLKQZ-INIZCTEOSA-N 2 0 364.490 0.006 10 0 FCAERP Cc1nc(C)n(CC[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)n1 ZINC001328869557 1265634151 /nfs/dbraw/zinc/63/41/51/1265634151.db2.gz RCCVXSZZQCVHPE-QDIHITRGSA-N 2 0 357.462 0.906 10 0 FCAERP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC001329163074 1265704135 /nfs/dbraw/zinc/70/41/35/1265704135.db2.gz OGBPMEFKAWEOBF-SJORKVTESA-N 2 0 366.506 0.156 10 0 FCAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)C[N@@H+]2C1 ZINC001519855148 1265786878 /nfs/dbraw/zinc/78/68/78/1265786878.db2.gz LSTYDTBCDPBTIJ-SQNIBIBYSA-N 2 0 365.518 0.793 10 0 FCAERP COC(=O)c1c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc2n1CCC2 ZINC001520318982 1265905228 /nfs/dbraw/zinc/90/52/28/1265905228.db2.gz XYYUUGMWKXKJNG-UHFFFAOYSA-N 2 0 366.466 0.573 10 0 FCAERP Cn1cc([C@@H]2CN(C(=O)Nc3cnn(C4CC[NH+](C)CC4)c3)C[C@H]2[NH3+])cn1 ZINC001330562620 1266059426 /nfs/dbraw/zinc/05/94/26/1266059426.db2.gz GSAGOLZQXCAHIU-DLBZAZTESA-N 2 0 372.477 0.842 10 0 FCAERP C[NH+](C)C1(C)CCC(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CC1 ZINC001521052672 1266068965 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RXGUWNHZVQKCAY-ABSDTBQOSA-N 2 0 364.534 0.977 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C2CC2)CC[N@@H+]1C ZINC001331280978 1266183825 /nfs/dbraw/zinc/18/38/25/1266183825.db2.gz JREZPHWVJPUPAL-RRFJBIMHSA-N 2 0 364.494 0.165 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)CC[N@@H+]1C ZINC001335414755 1259651632 /nfs/dbraw/zinc/65/16/32/1259651632.db2.gz VASCJSRUXJGKNR-HHARLNAUSA-N 2 0 362.518 0.489 10 0 FCAERP CC[NH+](CC)CC(=O)NCC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001521994675 1266284963 /nfs/dbraw/zinc/28/49/63/1266284963.db2.gz WLLVDFHMXLCZMK-ZACQAIPSSA-N 2 0 352.523 0.881 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)c1cccc2c1C[NH2+]CC2 ZINC001335715955 1259801042 /nfs/dbraw/zinc/80/10/42/1259801042.db2.gz RCKFWLZSANDIAD-CZUORRHYSA-N 2 0 372.469 0.798 10 0 FCAERP C[C@@H](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001336210109 1260043059 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DRUMRAALROHBRD-KFWWJZLASA-N 2 0 369.510 0.245 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCc2ccnn2C)CC[N@@H+]1C ZINC001677157403 1292225578 /nfs/dbraw/zinc/22/55/78/1292225578.db2.gz VPXBGFUFWABQTF-DJIMGWMZSA-N 2 0 351.495 0.054 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CCC[NH+](C)C)C[C@H]32)CC[N@@H+]1C ZINC001678879026 1292284523 /nfs/dbraw/zinc/28/45/23/1292284523.db2.gz KAWNBCKTXRNACF-HHARLNAUSA-N 2 0 350.507 0.489 10 0 FCAERP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001686242372 1292848289 /nfs/dbraw/zinc/84/82/89/1292848289.db2.gz HDIDVJSULZDJLZ-VQHPVUNQSA-N 2 0 362.518 0.918 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCCNC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@@H+]1C ZINC001687037311 1292976740 /nfs/dbraw/zinc/97/67/40/1292976740.db2.gz MFDRPUUBWWTACK-HUUCEWRRSA-N 2 0 364.494 0.021 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001118265579 847353054 /nfs/dbraw/zinc/35/30/54/847353054.db2.gz 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CCN(C(=O)C[NH+]1CCCC1)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001356854975 868054606 /nfs/dbraw/zinc/05/46/06/868054606.db2.gz DDQRBCQOYYWFAV-IXDOHACOSA-N 2 0 350.507 0.872 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCn2c(C)csc2=O)CC[N@@H+]1C ZINC001320229336 868114523 /nfs/dbraw/zinc/11/45/23/868114523.db2.gz FTZCOCPLYSKDMV-SOUVJXGZSA-N 2 0 370.519 0.015 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001326272142 870235411 /nfs/dbraw/zinc/23/54/11/870235411.db2.gz IPIPHIIXMOXSNK-OWCLPIDISA-N 2 0 359.536 0.590 10 0 FCAERP CS(=O)(=O)C1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[NH2+]CC1 ZINC001326338745 870263563 /nfs/dbraw/zinc/26/35/63/870263563.db2.gz AUNOUJSEINDJDA-UHFFFAOYSA-N 2 0 355.435 0.577 10 0 FCAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001344114057 870750603 /nfs/dbraw/zinc/75/06/03/870750603.db2.gz MILIIYNRNWBYMJ-GVDBMIGSSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2(CO)CC[NH+](CCc3ccns3)CC2)CC[N@@H+]1C ZINC001328530589 871486199 /nfs/dbraw/zinc/48/61/99/871486199.db2.gz PGBIEJNTWIBISM-GDBMZVCRSA-N 2 0 366.531 0.969 10 0 FCAERP C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001346106124 871648789 /nfs/dbraw/zinc/64/87/89/871648789.db2.gz BTROHAGZKSLQHU-XYJFISCASA-N 2 0 354.495 0.243 10 0 FCAERP CCC1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC001329345425 871967313 /nfs/dbraw/zinc/96/73/13/871967313.db2.gz VXJNKGPPULGGOT-IAGOWNOFSA-N 2 0 352.523 0.833 10 0 FCAERP C[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001347534328 872378130 /nfs/dbraw/zinc/37/81/30/872378130.db2.gz MDGOHFSSODLOQC-ZACQAIPSSA-N 2 0 350.507 0.918 10 0 FCAERP CN(OCC(F)(F)F)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001332057468 873352941 /nfs/dbraw/zinc/35/29/41/873352941.db2.gz WGXVZSCVWBZWHY-VXGBXAGGSA-N 2 0 368.400 0.137 10 0 FCAERP 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529603816 /nfs/dbraw/zinc/60/38/16/529603816.db2.gz WQYUYSYNGAWYMB-LSDHHAIUSA-N 2 0 356.511 0.448 10 0 FCAERP C[C@H](CNC(=O)C[N@@H+]1CCC[C@H](CO)CC1)[NH+]1CCC[C@H](CO)CC1 ZINC000930590364 674042492 /nfs/dbraw/zinc/04/24/92/674042492.db2.gz SAWYFFDYQMPIJV-SQNIBIBYSA-N 2 0 355.523 0.680 10 0 FCAERP Cn1cc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333468424 215285684 /nfs/dbraw/zinc/28/56/84/215285684.db2.gz HUQZTZBBXOOYTK-KLAILNCOSA-N 2 0 374.533 0.833 10 0 FCAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2)C1 ZINC000333754194 215316430 /nfs/dbraw/zinc/31/64/30/215316430.db2.gz ZMWKGGVRZVKBJE-KURKYZTESA-N 2 0 367.538 0.421 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C[NH+](C)C ZINC000930958000 674081298 /nfs/dbraw/zinc/08/12/98/674081298.db2.gz QVEKVUPFVRMULQ-OAGGEKHMSA-N 2 0 354.495 0.202 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000285196400 213301134 /nfs/dbraw/zinc/30/11/34/213301134.db2.gz QSVIHLGUBXRENH-MSOLQXFVSA-N 2 0 360.502 0.828 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000284913499 213246650 /nfs/dbraw/zinc/24/66/50/213246650.db2.gz GGYKDNBLGGFKDE-SUMDDJOVSA-N 2 0 372.513 0.874 10 0 FCAERP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262403403 209583980 /nfs/dbraw/zinc/58/39/80/209583980.db2.gz AJZGJSGXNJXLMF-WQVCFCJDSA-N 2 0 366.487 0.783 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000245456201 209366637 /nfs/dbraw/zinc/36/66/37/209366637.db2.gz BEZWXOAWTHNLDJ-MSOLQXFVSA-N 2 0 354.539 0.876 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245397045 209365858 /nfs/dbraw/zinc/36/58/58/209365858.db2.gz NPOKBAWYYMQNPZ-QZTJIDSGSA-N 2 0 352.523 0.630 10 0 FCAERP CN1CC[NH+](CC2(C)CC[NH+](C[C@H](O)CN3CCOCC3)CC2)CC1 ZINC000368329595 216235058 /nfs/dbraw/zinc/23/50/58/216235058.db2.gz DFKJAIJWDDUIAV-SFHVURJKSA-N 2 0 354.539 0.029 10 0 FCAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C3(S(=O)(=O)NC(C)(C)C)CCC3)C[C@@H]2C1 ZINC000931443238 674115206 /nfs/dbraw/zinc/11/52/06/674115206.db2.gz UQZBDVXSQAXQHS-OWCLPIDISA-N 2 0 373.563 0.871 10 0 FCAERP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414972514 245337952 /nfs/dbraw/zinc/33/79/52/245337952.db2.gz JNMBSEZSEKWHGM-AWEZNQCLSA-N 2 0 370.375 0.708 10 0 FCAERP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000419158179 246024522 /nfs/dbraw/zinc/02/45/22/246024522.db2.gz WEEVTOLBEHSEOQ-RDJZCZTQSA-N 2 0 352.523 0.975 10 0 FCAERP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000419223432 246063184 /nfs/dbraw/zinc/06/31/84/246063184.db2.gz YGSWCAHHRNUEFH-MRXNPFEDSA-N 2 0 362.474 0.502 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419205273 246053152 /nfs/dbraw/zinc/05/31/52/246053152.db2.gz JPVXRFLGUUPNPC-WMLDXEAASA-N 2 0 362.474 0.357 10 0 FCAERP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C[N@@H+]1C1CC1 ZINC000419313888 246096324 /nfs/dbraw/zinc/09/63/24/246096324.db2.gz GYGMLTICFNREKX-HOCLYGCPSA-N 2 0 359.474 0.419 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419504324 246183424 /nfs/dbraw/zinc/18/34/24/246183424.db2.gz GKNNPSAOJZOIOH-NJAFHUGGSA-N 2 0 358.486 0.739 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000419519413 246190552 /nfs/dbraw/zinc/19/05/52/246190552.db2.gz FTSMPXVBISLWMM-PPWQZUPISA-N 2 0 354.495 0.452 10 0 FCAERP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CCSC1 ZINC000419593708 246212137 /nfs/dbraw/zinc/21/21/37/246212137.db2.gz YCKXLFAJYZUCDE-WMLDXEAASA-N 2 0 350.488 0.356 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419665752 246236905 /nfs/dbraw/zinc/23/69/05/246236905.db2.gz OZNOOXWKHNZHCA-RHSMWYFYSA-N 2 0 359.474 0.528 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000419754712 246284092 /nfs/dbraw/zinc/28/40/92/246284092.db2.gz BUGQRHDSIOARNG-MRXNPFEDSA-N 2 0 350.438 0.632 10 0 FCAERP [NH3+]CCCNC(=O)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000419828945 246310644 /nfs/dbraw/zinc/31/06/44/246310644.db2.gz DJSNDPLQRRFKEH-UHFFFAOYSA-N 2 0 358.486 0.966 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419877894 246345753 /nfs/dbraw/zinc/34/57/53/246345753.db2.gz QDJITUDIUAJWGK-ZIAGYGMSSA-N 2 0 361.446 0.125 10 0 FCAERP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000422796586 246922180 /nfs/dbraw/zinc/92/21/80/246922180.db2.gz YOGPLHSWOBTHRE-SJORKVTESA-N 2 0 352.523 0.820 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424198846 247178737 /nfs/dbraw/zinc/17/87/37/247178737.db2.gz YDJNMOBBXDHJQA-CABCVRRESA-N 2 0 350.467 0.385 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2[C@@H]3CC[C@H]2C[NH+](C)CC3)C1 ZINC000931729221 674132421 /nfs/dbraw/zinc/13/24/21/674132421.db2.gz GNZYDYAWGWLWQK-FGTMMUONSA-N 2 0 352.523 0.628 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2[C@@H]3CC[C@H]2C[NH+](C)CC3)C1 ZINC000931729222 674132473 /nfs/dbraw/zinc/13/24/73/674132473.db2.gz GNZYDYAWGWLWQK-SQNIBIBYSA-N 2 0 352.523 0.628 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000440981097 248229724 /nfs/dbraw/zinc/22/97/24/248229724.db2.gz JNWQQILZIZUYTE-MRXNPFEDSA-N 2 0 355.527 0.422 10 0 FCAERP CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000444799754 248367784 /nfs/dbraw/zinc/36/77/84/248367784.db2.gz IXJRUGFSTXLPMX-VQIMIIECSA-N 2 0 353.507 0.885 10 0 FCAERP NC(=O)N[C@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](NC(N)=O)C3)c2)C1 ZINC000270711976 211254127 /nfs/dbraw/zinc/25/41/27/211254127.db2.gz ZUCWUIJFPYHTDH-HOTGVXAUSA-N 2 0 360.462 0.172 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000471802234 250121157 /nfs/dbraw/zinc/12/11/57/250121157.db2.gz BBJWKNABRFKQPI-HZPDHXFCSA-N 2 0 355.527 0.959 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000481878731 250370565 /nfs/dbraw/zinc/37/05/65/250370565.db2.gz ICCUHYLYLOARIP-BRWVUGGUSA-N 2 0 368.522 0.450 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000076057910 208066131 /nfs/dbraw/zinc/06/61/31/208066131.db2.gz FIKKIORJSAVYEU-QZTJIDSGSA-N 2 0 354.539 0.876 10 0 FCAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)N1CCNC1=O ZINC000112550086 208294910 /nfs/dbraw/zinc/29/49/10/208294910.db2.gz MFLXBIOQAIBRRQ-QAPCUYQASA-N 2 0 374.485 0.962 10 0 FCAERP CNC(=O)NC(=O)[C@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000112549946 208297290 /nfs/dbraw/zinc/29/72/90/208297290.db2.gz RROAAENLHBSUSR-WMLDXEAASA-N 2 0 362.474 0.866 10 0 FCAERP CCN(C(=O)CN1CCC[C@@H]1Cn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000178326467 209048718 /nfs/dbraw/zinc/04/87/18/209048718.db2.gz WWMZYOBCKAGJNE-HZPDHXFCSA-N 2 0 368.503 0.692 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)n1 ZINC000158110792 229193379 /nfs/dbraw/zinc/19/33/79/229193379.db2.gz VAGQEYJEGWWNFW-UHFFFAOYSA-N 2 0 364.494 0.620 10 0 FCAERP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000187411694 229241656 /nfs/dbraw/zinc/24/16/56/229241656.db2.gz BLLPJDOADOPTEF-INIZCTEOSA-N 2 0 356.511 0.585 10 0 FCAERP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000410499354 230105218 /nfs/dbraw/zinc/10/52/18/230105218.db2.gz SCTUQYMKYNKUFS-KRWDZBQOSA-N 2 0 367.538 0.023 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000310116111 488895218 /nfs/dbraw/zinc/89/52/18/488895218.db2.gz TWTCZNGTTVFSOW-QGZVFWFLSA-N 2 0 353.488 0.559 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000190871845 488417766 /nfs/dbraw/zinc/41/77/66/488417766.db2.gz LONKSLVHAUCQRO-OAHLLOKOSA-N 2 0 355.508 0.530 10 0 FCAERP CN(CC[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1)C1CC[NH+](C)CC1 ZINC000245576346 488465215 /nfs/dbraw/zinc/46/52/15/488465215.db2.gz BCNAUDMWBGVEFJ-MRXNPFEDSA-N 2 0 360.568 0.616 10 0 FCAERP CC[NH+]1CCN(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CC1 ZINC000569879964 491200499 /nfs/dbraw/zinc/20/04/99/491200499.db2.gz MVUSUFYJJRAEDX-JWTNVVGKSA-N 2 0 352.523 0.724 10 0 FCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000248617456 488499851 /nfs/dbraw/zinc/49/98/51/488499851.db2.gz MEWYPBYQMGOOJU-CVEARBPZSA-N 2 0 355.527 0.109 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1=O ZINC000261682533 488530531 /nfs/dbraw/zinc/53/05/31/488530531.db2.gz DLNGZDDQJLNBLN-XWTMOSNGSA-N 2 0 362.518 0.777 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1=O ZINC000262024278 488546411 /nfs/dbraw/zinc/54/64/11/488546411.db2.gz OZGVAYQWPYCJAC-BZUAXINKSA-N 2 0 350.507 0.905 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)CC1 ZINC000125767807 488604085 /nfs/dbraw/zinc/60/40/85/488604085.db2.gz OZDJIOFXXUSARZ-WBVHZDCISA-N 2 0 350.507 0.966 10 0 FCAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000133054270 488657409 /nfs/dbraw/zinc/65/74/09/488657409.db2.gz AUCJTRGANDWWRQ-WNKDZCFJSA-N 2 0 350.507 0.728 10 0 FCAERP C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC(Cc2nccn2C)CC1 ZINC000155174755 488752226 /nfs/dbraw/zinc/75/22/26/488752226.db2.gz PLTYHUXSEHDITB-ZFWWWQNUSA-N 2 0 368.503 0.366 10 0 FCAERP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)COCC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000155400190 488755503 /nfs/dbraw/zinc/75/55/03/488755503.db2.gz JCHZWHGFACKJJC-YHUYYLMFSA-N 2 0 354.495 0.105 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000171319926 488822272 /nfs/dbraw/zinc/82/22/72/488822272.db2.gz ISCSZGPDALHKEK-KRWDZBQOSA-N 2 0 361.490 0.871 10 0 FCAERP C[NH+]1CCN(c2cc(CNC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)ccn2)CC1 ZINC000173763504 488845029 /nfs/dbraw/zinc/84/50/29/488845029.db2.gz GTBPKUUKDZKJJR-SFHVURJKSA-N 2 0 370.501 0.989 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000174748872 488850892 /nfs/dbraw/zinc/85/08/92/488850892.db2.gz HOSICTBRWNKNRA-IAGOWNOFSA-N 3 0 355.527 0.375 10 0 FCAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000175808298 488855958 /nfs/dbraw/zinc/85/59/58/488855958.db2.gz LDMAMJRZTDKWFQ-ROUUACIJSA-N 2 0 369.554 0.406 10 0 FCAERP CC[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000182053867 488863932 /nfs/dbraw/zinc/86/39/32/488863932.db2.gz NBARVXORYXBRAZ-IAGOWNOFSA-N 2 0 369.554 0.499 10 0 FCAERP C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC(=O)N1C ZINC000281739219 489102433 /nfs/dbraw/zinc/10/24/33/489102433.db2.gz BEOGJQOQKKVRNO-MRXNPFEDSA-N 2 0 374.489 0.466 10 0 FCAERP COC(=O)/C=C1/SCC(=O)N1CCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366484125 489187807 /nfs/dbraw/zinc/18/78/07/489187807.db2.gz RZRJBTWLDGTRDW-OBHPCNEJSA-N 2 0 353.488 0.994 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000563451715 491248280 /nfs/dbraw/zinc/24/82/80/491248280.db2.gz MIMLBVDLKUUIED-UHFFFAOYSA-N 2 0 365.522 0.857 10 0 FCAERP CC[N@H+](CCNC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)C1CC1 ZINC000563457158 491249241 /nfs/dbraw/zinc/24/92/41/491249241.db2.gz JADQIDCXOYMFFB-UHFFFAOYSA-N 2 0 353.511 0.761 10 0 FCAERP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000362053138 489373890 /nfs/dbraw/zinc/37/38/90/489373890.db2.gz PQKOZVZSWPSYKW-QGZVFWFLSA-N 2 0 366.506 0.014 10 0 FCAERP C[NH+]1CCN(c2cc(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)ccn2)CC1 ZINC000370789513 489401890 /nfs/dbraw/zinc/40/18/90/489401890.db2.gz XDWXDAUMMNBTHX-SFHVURJKSA-N 2 0 373.501 0.817 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000563540983 491253723 /nfs/dbraw/zinc/25/37/23/491253723.db2.gz BQVFSQMUKBIXNH-HZPDHXFCSA-N 2 0 368.522 0.450 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000555615378 491259756 /nfs/dbraw/zinc/25/97/56/491259756.db2.gz UTACDHYTJGRCPR-HNNXBMFYSA-N 2 0 368.522 0.639 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415622247 489537818 /nfs/dbraw/zinc/53/78/18/489537818.db2.gz KURZRPNCRTZLOI-DOMZBBRYSA-N 2 0 366.437 0.819 10 0 FCAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415750191 489550180 /nfs/dbraw/zinc/55/01/80/489550180.db2.gz TWLLJXZLMJTJPS-FZMZJTMJSA-N 2 0 352.410 0.653 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000415772387 489551576 /nfs/dbraw/zinc/55/15/76/489551576.db2.gz TYBNFMMQTMYSFG-WMLDXEAASA-N 2 0 360.458 0.776 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000415800669 489554282 /nfs/dbraw/zinc/55/42/82/489554282.db2.gz YKGUFPSQEMQKER-YOEHRIQHSA-N 2 0 360.458 0.776 10 0 FCAERP CC[NH+](CC)CCSCC(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000456759957 489623883 /nfs/dbraw/zinc/62/38/83/489623883.db2.gz WBCPFBRBKVKLTC-INIZCTEOSA-N 2 0 370.563 0.874 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417384338 489651223 /nfs/dbraw/zinc/65/12/23/489651223.db2.gz KZBILTLWPHRNFH-AEFFLSMTSA-N 3 0 360.506 0.891 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417434525 489653495 /nfs/dbraw/zinc/65/34/95/489653495.db2.gz XHNRCWNHBYGECY-QWHCGFSZSA-N 2 0 361.437 0.226 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417564174 489658876 /nfs/dbraw/zinc/65/88/76/489658876.db2.gz IIUNQDONXSSFAL-JKSUJKDBSA-N 2 0 369.510 0.126 10 0 FCAERP CC(C)C[C@@H](C[NH3+])NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000417698084 489661786 /nfs/dbraw/zinc/66/17/86/489661786.db2.gz DGCLFBAKZVKSMX-INIZCTEOSA-N 2 0 353.511 0.603 10 0 FCAERP O=C(NCCC[NH2+]Cc1cccnc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000418330123 489692838 /nfs/dbraw/zinc/69/28/38/489692838.db2.gz PNDHDQNYCZBXMU-GOSISDBHSA-N 2 0 361.490 0.925 10 0 FCAERP CC(C)C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)NCC[NH+](C)C ZINC000458835890 489703912 /nfs/dbraw/zinc/70/39/12/489703912.db2.gz DPMKOVQGRUIBBD-INIZCTEOSA-N 2 0 371.526 0.100 10 0 FCAERP CON1CCC([N@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000459591190 489741686 /nfs/dbraw/zinc/74/16/86/489741686.db2.gz SSDWIMIOMSFHJS-QGZVFWFLSA-N 2 0 356.511 0.417 10 0 FCAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](O)Cn2ccnn2)CC1 ZINC000459691839 489747751 /nfs/dbraw/zinc/74/77/51/489747751.db2.gz HAZSQSGZMGQXMB-SFHVURJKSA-N 2 0 358.490 0.961 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)[NH+](C)C)c1 ZINC000418842067 489752327 /nfs/dbraw/zinc/75/23/27/489752327.db2.gz HEWNQGDNWQBPTK-XYPHTWIQSA-N 2 0 362.474 0.528 10 0 FCAERP CCN1CC[C@@H](NC(=O)C(=O)N(C)CC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418866114 489764658 /nfs/dbraw/zinc/76/46/58/489764658.db2.gz MOVTWTANGHJJHG-HIFRSBDPSA-N 2 0 372.391 0.773 10 0 FCAERP COc1cccc([C@@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[NH+](C)C)c1 ZINC000418867614 489765694 /nfs/dbraw/zinc/76/56/94/489765694.db2.gz UXPQEMUWISULSC-SOLBZPMBSA-N 2 0 374.485 0.767 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418873329 489769007 /nfs/dbraw/zinc/76/90/07/489769007.db2.gz HXFIAOYGGLVUQR-FXAWDEMLSA-N 2 0 360.502 0.781 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000418880537 489772297 /nfs/dbraw/zinc/77/22/97/489772297.db2.gz VNYPTGSFYBVPAY-KBAYOESNSA-N 2 0 360.502 0.719 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418881392 489773618 /nfs/dbraw/zinc/77/36/18/489773618.db2.gz XHHJCMXAJZPTJO-OKYOBFRVSA-N 2 0 372.513 0.780 10 0 FCAERP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000418883334 489774714 /nfs/dbraw/zinc/77/47/14/489774714.db2.gz UXYMPHOULCJGEH-WBVHZDCISA-N 2 0 362.474 0.420 10 0 FCAERP CN1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418899186 489781004 /nfs/dbraw/zinc/78/10/04/489781004.db2.gz BPRZMDKVQHSPOP-HUUCEWRRSA-N 2 0 352.385 0.258 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000418900694 489782081 /nfs/dbraw/zinc/78/20/81/489782081.db2.gz DJRNYTDGDRLXCC-DDBAPUKQSA-N 2 0 358.486 0.991 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[C@@H]1C[NH3+] ZINC000418900693 489782264 /nfs/dbraw/zinc/78/22/64/489782264.db2.gz DJRNYTDGDRLXCC-BZZMCLGOSA-N 2 0 358.486 0.991 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)[C@@H]1c1ccccc1 ZINC000418916888 489791026 /nfs/dbraw/zinc/79/10/26/489791026.db2.gz XRVRSQQLBYYVEC-ULQDDVLXSA-N 2 0 360.458 0.043 10 0 FCAERP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccco1 ZINC000418933528 489795089 /nfs/dbraw/zinc/79/50/89/489795089.db2.gz AYAINWHQRXYVFY-QLFBSQMISA-N 2 0 350.463 0.893 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000419047033 489832946 /nfs/dbraw/zinc/83/29/46/489832946.db2.gz ZJXZIMRBTRHDGZ-BBWFWOEESA-N 2 0 368.522 0.498 10 0 FCAERP O=C(NCc1cn2cc(Cl)ccc2n1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419124566 489868055 /nfs/dbraw/zinc/86/80/55/489868055.db2.gz XTAIGPSESMGWCM-BETUJISGSA-N 2 0 361.833 0.957 10 0 FCAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000420011720 489880334 /nfs/dbraw/zinc/88/03/34/489880334.db2.gz AARFUHVALIMPQW-DLBZAZTESA-N 2 0 350.507 0.955 10 0 FCAERP C[C@@]1(CNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCC[NH2+]C1 ZINC000420103074 489913189 /nfs/dbraw/zinc/91/31/89/489913189.db2.gz NWIWFRYHSFUKIE-VQIMIIECSA-N 2 0 350.507 0.969 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420108271 489915001 /nfs/dbraw/zinc/91/50/01/489915001.db2.gz XARXVISJUCFQQK-KBAYOESNSA-N 2 0 358.486 0.834 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420116278 489918169 /nfs/dbraw/zinc/91/81/69/489918169.db2.gz LAVVGYFKTQODRE-RHSMWYFYSA-N 2 0 364.465 0.830 10 0 FCAERP COCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420164515 489936946 /nfs/dbraw/zinc/93/69/46/489936946.db2.gz MBCDRYBBQDXHDS-KRWDZBQOSA-N 2 0 362.474 0.072 10 0 FCAERP CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420178860 489942463 /nfs/dbraw/zinc/94/24/63/489942463.db2.gz BBLJCWAEHPHEAW-ROUUACIJSA-N 2 0 374.485 0.214 10 0 FCAERP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000377768246 489955243 /nfs/dbraw/zinc/95/52/43/489955243.db2.gz IUGPEDBHRADBKC-MSOLQXFVSA-N 2 0 367.538 0.519 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000477623910 489978342 /nfs/dbraw/zinc/97/83/42/489978342.db2.gz BXWYGLHTJVQKJJ-UHFFFAOYSA-N 2 0 368.522 0.452 10 0 FCAERP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000477633962 489979851 /nfs/dbraw/zinc/97/98/51/489979851.db2.gz DZKIYZYVSGQXRX-ROUUACIJSA-N 2 0 366.554 0.044 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000556108345 491295100 /nfs/dbraw/zinc/29/51/00/491295100.db2.gz ONSLYFOPKVOLKO-JKSUJKDBSA-N 2 0 354.495 0.204 10 0 FCAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000556170086 491299750 /nfs/dbraw/zinc/29/97/50/491299750.db2.gz GICNNWOKZLCNSW-IRXDYDNUSA-N 2 0 368.522 0.594 10 0 FCAERP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC[C@H]21 ZINC000556172511 491300660 /nfs/dbraw/zinc/30/06/60/491300660.db2.gz ZNTMSORTBMPLQX-DLBZAZTESA-N 2 0 366.506 0.158 10 0 FCAERP C[C@@H]1C[C@@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000379662544 490125526 /nfs/dbraw/zinc/12/55/26/490125526.db2.gz IXQOMBOSLJIIGA-BPQIPLTHSA-N 2 0 367.515 0.947 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379674641 490126395 /nfs/dbraw/zinc/12/63/95/490126395.db2.gz UYQHDBITEJTUDL-QZTJIDSGSA-N 2 0 367.515 0.949 10 0 FCAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000571327340 491301279 /nfs/dbraw/zinc/30/12/79/491301279.db2.gz VMSOUYYXHVHWMM-SJLPKXTDSA-N 2 0 354.454 0.544 10 0 FCAERP CN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388479743 490133765 /nfs/dbraw/zinc/13/37/65/490133765.db2.gz ASNHTMCPDCAUPJ-ROUUACIJSA-N 2 0 367.515 0.901 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)Cn1cncn1 ZINC000465792790 490142831 /nfs/dbraw/zinc/14/28/31/490142831.db2.gz SVTSJBLBEDYDEI-CVEARBPZSA-N 2 0 351.499 0.724 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CCSC1 ZINC000556200558 491302629 /nfs/dbraw/zinc/30/26/29/491302629.db2.gz FSHOOUVLQQJQCS-JMLCCBQJSA-N 2 0 368.547 0.673 10 0 FCAERP C[C@H]1CC[NH+](CC(=O)N(C)CCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000520605929 490169745 /nfs/dbraw/zinc/16/97/45/490169745.db2.gz GYZZYHFMIRCYCN-IRXDYDNUSA-N 2 0 352.523 0.977 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCCc2cn(C)cn2)C1 ZINC000422256506 490209216 /nfs/dbraw/zinc/20/92/16/490209216.db2.gz GBNSCKLMWYVHSU-GASCZTMLSA-N 2 0 363.506 0.952 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000556273964 491307787 /nfs/dbraw/zinc/30/77/87/491307787.db2.gz UPKPHNWLYZRMBU-SJORKVTESA-N 2 0 368.522 0.545 10 0 FCAERP O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000521275812 490244643 /nfs/dbraw/zinc/24/46/43/490244643.db2.gz NKOIEOPZNVDLEC-RTBURBONSA-N 2 0 356.507 0.977 10 0 FCAERP C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000547745383 490351262 /nfs/dbraw/zinc/35/12/62/490351262.db2.gz ZIIDQEGTRVPNHC-HNNXBMFYSA-N 2 0 352.523 0.506 10 0 FCAERP CN(C(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571657917 491321191 /nfs/dbraw/zinc/32/11/91/491321191.db2.gz QHJWSOSZMAWJOA-QGZVFWFLSA-N 2 0 359.474 0.334 10 0 FCAERP COc1ccc([C@H](OC)[C@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000564851285 491331493 /nfs/dbraw/zinc/33/14/93/491331493.db2.gz JHZGRZNXAXDQAZ-KVSKMBFKSA-N 2 0 351.491 0.969 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)Cc1ccccc1 ZINC000422953094 490505052 /nfs/dbraw/zinc/50/50/52/490505052.db2.gz DBFMUTMRERQEHT-KRWDZBQOSA-N 2 0 358.486 0.630 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422954333 490505208 /nfs/dbraw/zinc/50/52/08/490505208.db2.gz IDKRJBPTCVBSGT-QGZVFWFLSA-N 2 0 358.486 0.630 10 0 FCAERP COc1cccc([C@@H](CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)[NH+](C)C)c1 ZINC000422955781 490505802 /nfs/dbraw/zinc/50/58/02/490505802.db2.gz NLEHVKPXOJIHHS-QGZVFWFLSA-N 2 0 374.485 0.769 10 0 FCAERP C[C@@H](C[NH+](C)[C@@H]1CCN2CCO[C@H]1C2)C[N@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000451139882 490520210 /nfs/dbraw/zinc/52/02/10/490520210.db2.gz DXSLAZOECAWYCO-WPVAHCMFSA-N 2 0 366.550 0.432 10 0 FCAERP C[NH+]1CCN(c2ccc(NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)nc2)CC1 ZINC000564911145 491335849 /nfs/dbraw/zinc/33/58/49/491335849.db2.gz WMXQRSXNKITZGA-OAHLLOKOSA-N 2 0 370.461 0.602 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000549985348 490616693 /nfs/dbraw/zinc/61/66/93/490616693.db2.gz POMHCKJPKYSSFF-INIZCTEOSA-N 2 0 368.522 0.594 10 0 FCAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000556886881 491342517 /nfs/dbraw/zinc/34/25/17/491342517.db2.gz PRWDRKQSZGPECB-OWSLCNJRSA-N 2 0 350.507 0.382 10 0 FCAERP CC[NH+]1CCN(CCC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CC1 ZINC000527028502 490693484 /nfs/dbraw/zinc/69/34/84/490693484.db2.gz XNSLJOIFVPNXIV-UHFFFAOYSA-N 2 0 361.490 0.766 10 0 FCAERP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000565046182 491348145 /nfs/dbraw/zinc/34/81/45/491348145.db2.gz IDBGBIJJFCEDPG-MJGOQNOKSA-N 3 0 350.507 0.558 10 0 FCAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000514108326 490762605 /nfs/dbraw/zinc/76/26/05/490762605.db2.gz YBVMRMRFVRSEQG-KRWDZBQOSA-N 2 0 372.579 0.758 10 0 FCAERP CS[C@H]1CN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)C[C@@H]1[NH+](C)C ZINC000540125054 490808628 /nfs/dbraw/zinc/80/86/28/490808628.db2.gz TZNYOAAPPVJQQJ-HOTGVXAUSA-N 2 0 363.531 0.951 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C1=CC[N@H+](C)CC1 ZINC000516065119 490848270 /nfs/dbraw/zinc/84/82/70/490848270.db2.gz BFGHIKSJDCVLAS-KSSFIOAISA-N 2 0 356.470 0.838 10 0 FCAERP CC[NH+]1CCC(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000529306606 490848614 /nfs/dbraw/zinc/84/86/14/490848614.db2.gz VVXRKSJEHOLUQC-UHFFFAOYSA-N 2 0 366.510 0.071 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)[C@H](C)C1 ZINC000529312095 490849696 /nfs/dbraw/zinc/84/96/96/490849696.db2.gz YCQFIFHAOPYEQS-HZPDHXFCSA-N 2 0 356.511 0.931 10 0 FCAERP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000529308305 490849832 /nfs/dbraw/zinc/84/98/32/490849832.db2.gz FRQPDAKBSQXCNT-SJORKVTESA-N 2 0 354.495 0.507 10 0 FCAERP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529331406 490854123 /nfs/dbraw/zinc/85/41/23/490854123.db2.gz VYVVSKZJIYWSSC-INIZCTEOSA-N 2 0 366.510 0.071 10 0 FCAERP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(OC[C@@H]3CCOC3)CC2)C1=O ZINC000541268443 490856869 /nfs/dbraw/zinc/85/68/69/490856869.db2.gz LDDVMRNQEXVMER-GDBMZVCRSA-N 2 0 353.463 0.193 10 0 FCAERP COc1cc([C@@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)ccc1OCCO ZINC000516438470 490863793 /nfs/dbraw/zinc/86/37/93/490863793.db2.gz ULDIEFVGRBLXJC-NVXWUHKLSA-N 2 0 367.490 0.325 10 0 FCAERP O=C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000530240013 490895206 /nfs/dbraw/zinc/89/52/06/490895206.db2.gz JMRFUHACPSKFOV-LJQANCHMSA-N 3 0 364.534 0.820 10 0 FCAERP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000530239352 490895355 /nfs/dbraw/zinc/89/53/55/490895355.db2.gz FIGVGMDLILCUHG-SFHVURJKSA-N 3 0 352.523 0.677 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000517162088 490897187 /nfs/dbraw/zinc/89/71/87/490897187.db2.gz UZQPRTJGFSAMNC-INIZCTEOSA-N 2 0 368.522 0.450 10 0 FCAERP CN(CCC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)c1cc[nH+]cc1 ZINC000542785275 490909093 /nfs/dbraw/zinc/90/90/93/490909093.db2.gz HUXAUOQGACYIDP-UHFFFAOYSA-N 2 0 361.490 0.824 10 0 FCAERP C[C@@H](NC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)C1=CC[N@H+](C)CC1 ZINC000543967269 490953245 /nfs/dbraw/zinc/95/32/45/490953245.db2.gz OTLFQCCNBOAKLB-ZBFHGGJFSA-N 2 0 374.489 0.861 10 0 FCAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000519572609 490977248 /nfs/dbraw/zinc/97/72/48/490977248.db2.gz QXKXHHUZAGIMSH-GJZGRUSLSA-N 2 0 364.494 0.939 10 0 FCAERP CCc1nc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cs1 ZINC000553977099 491167387 /nfs/dbraw/zinc/16/73/87/491167387.db2.gz OXONOSOIJDXPIF-UHFFFAOYSA-N 2 0 355.508 0.274 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000668362125 493341215 /nfs/dbraw/zinc/34/12/15/493341215.db2.gz QIHHNENXCMNKCT-QGZVFWFLSA-N 2 0 368.522 0.545 10 0 FCAERP CCO[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1n1cccn1 ZINC000565643383 491390385 /nfs/dbraw/zinc/39/03/85/491390385.db2.gz OMKLBWHCKMWAFZ-BRWVUGGUSA-N 2 0 366.510 0.736 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000557696061 491391873 /nfs/dbraw/zinc/39/18/73/491391873.db2.gz NWUQIWNIXWFIIK-UHFFFAOYSA-N 2 0 354.495 0.158 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000573194345 491418368 /nfs/dbraw/zinc/41/83/68/491418368.db2.gz OIXJBIAJAZLGDT-BRWVUGGUSA-N 2 0 368.522 0.545 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000573238003 491421920 /nfs/dbraw/zinc/42/19/20/491421920.db2.gz JGKFDGFBUVMVBZ-ZWKOTPCHSA-N 2 0 364.465 0.125 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000558245901 491422448 /nfs/dbraw/zinc/42/24/48/491422448.db2.gz LCHDEJIEVWDDTJ-ZWKOTPCHSA-N 2 0 352.523 0.628 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000573395366 491430641 /nfs/dbraw/zinc/43/06/41/491430641.db2.gz PONSXUXLCCDDPR-KRWDZBQOSA-N 2 0 371.522 0.541 10 0 FCAERP O=C(CN1CCC2(CC[NH2+]2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000566300447 491434014 /nfs/dbraw/zinc/43/40/14/491434014.db2.gz LOGMPWYYCUNGIJ-UHFFFAOYSA-N 2 0 364.534 0.966 10 0 FCAERP O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000566724861 491462885 /nfs/dbraw/zinc/46/28/85/491462885.db2.gz IXEWSYYHOULKFW-LJQANCHMSA-N 2 0 372.513 0.520 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000566736380 491463813 /nfs/dbraw/zinc/46/38/13/491463813.db2.gz WRXJIKYOBBNTSU-MRXNPFEDSA-N 2 0 363.510 0.259 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](O)C23CCCC3)C1 ZINC000574021028 491469295 /nfs/dbraw/zinc/46/92/95/491469295.db2.gz LJVGYMYGHNKBAJ-IRXDYDNUSA-N 2 0 353.507 0.839 10 0 FCAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566845863 491470229 /nfs/dbraw/zinc/47/02/29/491470229.db2.gz CSRZIJXLIPPRAV-KXBFYZLASA-N 2 0 350.507 0.825 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCC(=O)N2CCc3ccccc32)CC1 ZINC000574191616 491480222 /nfs/dbraw/zinc/48/02/22/491480222.db2.gz HBXGSPGDCAXQEV-SFHVURJKSA-N 2 0 360.502 0.554 10 0 FCAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000559830435 491502667 /nfs/dbraw/zinc/50/26/67/491502667.db2.gz FFXGDVRAVXZNRE-IAGOWNOFSA-N 2 0 366.506 0.158 10 0 FCAERP CN(C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000574625556 491508940 /nfs/dbraw/zinc/50/89/40/491508940.db2.gz MQPKPRYGFJLAAD-VMBOVVBDSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000567711967 491524189 /nfs/dbraw/zinc/52/41/89/491524189.db2.gz XQULVHUZMQUWKA-MSOLQXFVSA-N 2 0 352.523 0.508 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000567711970 491524365 /nfs/dbraw/zinc/52/43/65/491524365.db2.gz XQULVHUZMQUWKA-ZWKOTPCHSA-N 2 0 352.523 0.508 10 0 FCAERP CN(C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000560293132 491528801 /nfs/dbraw/zinc/52/88/01/491528801.db2.gz CXGBWJYLWNXVSY-HKUYNNGSSA-N 2 0 372.513 0.971 10 0 FCAERP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000567990591 491545679 /nfs/dbraw/zinc/54/56/79/491545679.db2.gz LJYKTJHRRGCZBU-NQIIRXRSSA-N 2 0 372.513 0.994 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccccc1 ZINC000560655866 491550129 /nfs/dbraw/zinc/55/01/29/491550129.db2.gz SVUBRASMBMKBEH-NJAFHUGGSA-N 2 0 356.470 0.901 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000560654947 491550205 /nfs/dbraw/zinc/55/02/05/491550205.db2.gz BHYSJYVGJLWQSK-CQSZACIVSA-N 2 0 373.457 0.092 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000560870871 491560997 /nfs/dbraw/zinc/56/09/97/491560997.db2.gz QXEWXBMOXDICNN-AWEZNQCLSA-N 2 0 355.866 0.809 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000561120426 491575939 /nfs/dbraw/zinc/57/59/39/491575939.db2.gz FHCYGEZHYDGYHJ-BZUAXINKSA-N 2 0 354.495 0.012 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000561118372 491575992 /nfs/dbraw/zinc/57/59/92/491575992.db2.gz MNAPMTSBIJBLOM-IAGOWNOFSA-N 2 0 368.522 0.594 10 0 FCAERP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000576254174 491597713 /nfs/dbraw/zinc/59/77/13/491597713.db2.gz GMLXVOAPFWXTLA-UHFFFAOYSA-N 2 0 358.486 0.733 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000577365014 491615209 /nfs/dbraw/zinc/61/52/09/491615209.db2.gz NOFORIYBPMJVRW-LSDHHAIUSA-N 2 0 353.898 0.512 10 0 FCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000576516519 491621661 /nfs/dbraw/zinc/62/16/61/491621661.db2.gz DZTRAJKLLLDOSV-MIEXHSEVSA-N 2 0 364.534 0.852 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000577510103 491628105 /nfs/dbraw/zinc/62/81/05/491628105.db2.gz WEVDHOQWXJOBTD-NEWSRXKRSA-N 2 0 372.513 0.876 10 0 FCAERP COC(=O)[C@](C)(O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000569386132 491657948 /nfs/dbraw/zinc/65/79/48/491657948.db2.gz SYJWKFPNKCARPU-GOSISDBHSA-N 2 0 357.495 0.326 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000579410258 491697387 /nfs/dbraw/zinc/69/73/87/491697387.db2.gz YDNCYCIOALIGHG-HZPDHXFCSA-N 2 0 368.522 0.545 10 0 FCAERP C[NH+]1CCN(c2cc(C(=O)N3C[C@@H](C[NH3+])C4(C3)CCOCC4)ccn2)CC1 ZINC000579964097 491711656 /nfs/dbraw/zinc/71/16/56/491711656.db2.gz RFLYTYMQRWPQIB-QGZVFWFLSA-N 2 0 373.501 0.661 10 0 FCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000580421206 491730515 /nfs/dbraw/zinc/73/05/15/491730515.db2.gz VFNTYKGYDXTKKG-CYBMUJFWSA-N 2 0 361.437 0.179 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC1 ZINC000580435436 491731251 /nfs/dbraw/zinc/73/12/51/491731251.db2.gz ZKXSQLGKETZNIO-SFHVURJKSA-N 2 0 352.523 0.366 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)CC1 ZINC000581508217 491775675 /nfs/dbraw/zinc/77/56/75/491775675.db2.gz GGCMUHVOUGVOIL-JKSUJKDBSA-N 2 0 372.307 0.680 10 0 FCAERP CNC(=O)[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000583197970 491839982 /nfs/dbraw/zinc/83/99/82/491839982.db2.gz SDWSYUZRFNOSFP-INIZCTEOSA-N 2 0 365.522 0.714 10 0 FCAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000583747054 491851197 /nfs/dbraw/zinc/85/11/97/491851197.db2.gz REYWQGWTSOALJZ-VQIMIIECSA-N 2 0 350.507 0.921 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000584076125 491858113 /nfs/dbraw/zinc/85/81/13/491858113.db2.gz MACFNCSTYPEVFK-OIISXLGYSA-N 2 0 368.522 0.327 10 0 FCAERP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000612551702 491933809 /nfs/dbraw/zinc/93/38/09/491933809.db2.gz ITMWGRXRTIZCKX-QGZVFWFLSA-N 2 0 350.507 0.921 10 0 FCAERP C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000614069276 492013528 /nfs/dbraw/zinc/01/35/28/492013528.db2.gz VRYFWTQEMBGGFP-NRFANRHFSA-N 2 0 374.529 0.963 10 0 FCAERP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000614506690 492034675 /nfs/dbraw/zinc/03/46/75/492034675.db2.gz YYURDZKDYGKQOY-SJORKVTESA-N 2 0 352.548 0.710 10 0 FCAERP CCN(C(=O)CSCC(=O)N(CC)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](C)C1 ZINC000597944986 492074265 /nfs/dbraw/zinc/07/42/65/492074265.db2.gz FWAVSBBPHUAAIJ-HOTGVXAUSA-N 2 0 370.563 0.825 10 0 FCAERP C[C@H]1[C@H](C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)[C@H]1C(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000615182844 492077409 /nfs/dbraw/zinc/07/74/09/492077409.db2.gz LRSHFYPGXUGWRT-YLQUKCFQSA-N 2 0 360.502 0.194 10 0 FCAERP C[NH+]1CCC[C@H](NC(=O)c2cccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000617414191 492167042 /nfs/dbraw/zinc/16/70/42/492167042.db2.gz CBYLBBNFZWBUCG-GJZGRUSLSA-N 2 0 359.474 0.730 10 0 FCAERP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000654368276 492295310 /nfs/dbraw/zinc/29/53/10/492295310.db2.gz RQBMVCJTTPWIAC-DLBZAZTESA-N 2 0 362.474 0.587 10 0 FCAERP C[C@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000654383437 492296390 /nfs/dbraw/zinc/29/63/90/492296390.db2.gz JADAKDFNGQHDKA-AYOQOUSVSA-N 2 0 358.486 0.894 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)c1cccc(F)c1 ZINC000627444139 492298437 /nfs/dbraw/zinc/29/84/37/492298437.db2.gz BIQCJVSFVLJANB-CVEARBPZSA-N 2 0 362.449 0.945 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627454118 492301187 /nfs/dbraw/zinc/30/11/87/492301187.db2.gz HMNCQUCJWDMHIB-UHFFFAOYSA-N 2 0 354.495 0.191 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000627453566 492301637 /nfs/dbraw/zinc/30/16/37/492301637.db2.gz QIYOUHQJVHYLCT-HOCLYGCPSA-N 2 0 364.490 0.086 10 0 FCAERP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654436557 492303163 /nfs/dbraw/zinc/30/31/63/492303163.db2.gz YWAFGIRTCQDLTJ-FZNQNYSPSA-N 2 0 353.511 0.569 10 0 FCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647556508 492304339 /nfs/dbraw/zinc/30/43/39/492304339.db2.gz MMQYQYVBHQPLCF-MRXNPFEDSA-N 2 0 366.506 0.110 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000627462581 492305583 /nfs/dbraw/zinc/30/55/83/492305583.db2.gz XOYXOWCSRRPTOV-AWEZNQCLSA-N 2 0 368.503 0.306 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000627465122 492307179 /nfs/dbraw/zinc/30/71/79/492307179.db2.gz XURDYROAOWNJCD-UHFFFAOYSA-N 2 0 368.522 0.453 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627478041 492314962 /nfs/dbraw/zinc/31/49/62/492314962.db2.gz GMHAVJCNTPSIIJ-HRCADAONSA-N 2 0 354.495 0.202 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627480120 492315798 /nfs/dbraw/zinc/31/57/98/492315798.db2.gz LEZQNRKGOFXBMN-KBAYOESNSA-N 2 0 358.486 0.976 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[NH2+]1 ZINC000627481718 492317019 /nfs/dbraw/zinc/31/70/19/492317019.db2.gz HLRADJNSJPYHEC-KANFNMMFSA-N 2 0 370.497 0.834 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000627501250 492325202 /nfs/dbraw/zinc/32/52/02/492325202.db2.gz CAJPSIPYOYFNCY-SOLBZPMBSA-N 2 0 358.486 0.976 10 0 FCAERP C[C@H](CNC(=O)NC(C)(C)CN1CCOCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654656874 492335288 /nfs/dbraw/zinc/33/52/88/492335288.db2.gz ZHWNYFFQTHSGDG-OAGGEKHMSA-N 2 0 356.511 0.894 10 0 FCAERP C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000654662529 492336121 /nfs/dbraw/zinc/33/61/21/492336121.db2.gz SGLCGGMCLGHJBB-BDXSIMOUSA-N 2 0 351.539 0.994 10 0 FCAERP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000620910781 492344590 /nfs/dbraw/zinc/34/45/90/492344590.db2.gz YJPJXTWPPFERRN-SJORKVTESA-N 2 0 350.507 0.478 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000634724530 492363975 /nfs/dbraw/zinc/36/39/75/492363975.db2.gz SCVNDISVHPLXOZ-JKSUJKDBSA-N 2 0 361.408 0.937 10 0 FCAERP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000647957155 492387115 /nfs/dbraw/zinc/38/71/15/492387115.db2.gz YGZQMIFWXUTYTL-QGZVFWFLSA-N 2 0 366.487 0.738 10 0 FCAERP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976975 492390551 /nfs/dbraw/zinc/39/05/51/492390551.db2.gz WNQYGUWHSWTPKO-OAGGEKHMSA-N 2 0 350.507 0.824 10 0 FCAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)CC2 ZINC000642959819 492407679 /nfs/dbraw/zinc/40/76/79/492407679.db2.gz BQCNAZNHHJXZDF-WCVJEAGWSA-N 2 0 366.506 0.689 10 0 FCAERP COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc(OC)c1OCC(N)=O ZINC000655826098 492480779 /nfs/dbraw/zinc/48/07/79/492480779.db2.gz PVHGOZCAXAOBMO-XBXGTLAGSA-N 2 0 351.447 0.998 10 0 FCAERP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655959411 492498031 /nfs/dbraw/zinc/49/80/31/492498031.db2.gz PDZUDSKYWCOMCB-GFCCVEGCSA-N 2 0 362.352 0.701 10 0 FCAERP C[C@@H](CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655970735 492499718 /nfs/dbraw/zinc/49/97/18/492499718.db2.gz KTYWRFDRGSUZQY-MWDXBVQZSA-N 2 0 368.522 0.881 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039747 492522229 /nfs/dbraw/zinc/52/22/29/492522229.db2.gz FIIIKVKCFOIBQA-XDKXFUCDSA-N 2 0 366.506 0.186 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656042828 492523397 /nfs/dbraw/zinc/52/33/97/492523397.db2.gz VSDOWLRNFZIOMR-LVQVYYBASA-N 2 0 354.495 0.188 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656068272 492530748 /nfs/dbraw/zinc/53/07/48/492530748.db2.gz SYWDGXQLIUDNRE-XHSDSOJGSA-N 2 0 354.495 0.012 10 0 FCAERP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656069751 492531538 /nfs/dbraw/zinc/53/15/38/492531538.db2.gz OHJUZMIKAAQGDF-PNBKFKSVSA-N 2 0 366.506 0.295 10 0 FCAERP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656079037 492540084 /nfs/dbraw/zinc/54/00/84/492540084.db2.gz IVIAMMGHGUMELQ-IYBDPMFKSA-N 2 0 368.522 0.402 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000656080165 492541497 /nfs/dbraw/zinc/54/14/97/492541497.db2.gz PKZLMDAVPMRJFR-YESZJQIVSA-N 2 0 350.507 0.633 10 0 FCAERP CC[NH+]1CCN(Cc2ccc(CNC(=O)COC3(C)C[NH2+]C3)cc2)CC1 ZINC000649350619 492544551 /nfs/dbraw/zinc/54/45/51/492544551.db2.gz SKSKSZRPCOEDPU-UHFFFAOYSA-N 2 0 360.502 0.819 10 0 FCAERP CC[NH+]1CCN(CCC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000649367355 492548347 /nfs/dbraw/zinc/54/83/47/492548347.db2.gz WEDMYTZWUURHKO-UHFFFAOYSA-N 2 0 351.539 0.347 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656334918 492599211 /nfs/dbraw/zinc/59/92/11/492599211.db2.gz UWPDWFPSTPDJDU-NMNMXBMNSA-N 2 0 366.506 0.199 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000650568023 492650948 /nfs/dbraw/zinc/65/09/48/492650948.db2.gz ONEIQOFRCSIBGK-GOSISDBHSA-N 2 0 373.501 0.676 10 0 FCAERP O=C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)NCCCN1CCCC1=O ZINC000629590123 492657479 /nfs/dbraw/zinc/65/74/79/492657479.db2.gz MLKNCYFEKWZPKI-QGZVFWFLSA-N 2 0 366.506 0.206 10 0 FCAERP C[C@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+]1CCCC[C@@H]1C ZINC000650642120 492657534 /nfs/dbraw/zinc/65/75/34/492657534.db2.gz UBBYWIQQFQLJMU-JKSUJKDBSA-N 2 0 353.511 0.665 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(OCCO)CCC(F)(F)CC2)CC1 ZINC000629590562 492657719 /nfs/dbraw/zinc/65/77/19/492657719.db2.gz QYMZRAXJPHJGRM-OAHLLOKOSA-N 2 0 365.465 0.141 10 0 FCAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650856641 492676817 /nfs/dbraw/zinc/67/68/17/492676817.db2.gz AXFJEZGPWISOTP-HZPDHXFCSA-N 2 0 353.511 0.665 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000629800202 492678406 /nfs/dbraw/zinc/67/84/06/492678406.db2.gz XQLKLXXRRZFTJY-MRXNPFEDSA-N 2 0 354.495 0.158 10 0 FCAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629800412 492678417 /nfs/dbraw/zinc/67/84/17/492678417.db2.gz SHBBFVUZQAKRNR-LZQZEXGQSA-N 2 0 350.507 0.777 10 0 FCAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650892822 492682621 /nfs/dbraw/zinc/68/26/21/492682621.db2.gz ZUJHKXFRIWVMTR-MRXNPFEDSA-N 2 0 353.511 0.666 10 0 FCAERP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000629815819 492686083 /nfs/dbraw/zinc/68/60/83/492686083.db2.gz RFWCOPFKPBSTLO-HZPDHXFCSA-N 2 0 354.495 0.012 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000629822640 492688716 /nfs/dbraw/zinc/68/87/16/492688716.db2.gz OWPQIBQSFDBUIW-UHFFFAOYSA-N 2 0 354.495 0.286 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000651192196 492720414 /nfs/dbraw/zinc/72/04/14/492720414.db2.gz FDTMMEMCJSAGJA-UHFFFAOYSA-N 2 0 367.538 0.914 10 0 FCAERP CN(C(=O)NCC[C@]1(O)CCOC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000651284488 492734920 /nfs/dbraw/zinc/73/49/20/492734920.db2.gz HEHWNORFCBPQQA-AEFFLSMTSA-N 2 0 354.495 0.338 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCNc2nccc(C(F)(F)F)n2)CC1 ZINC000644571296 492787094 /nfs/dbraw/zinc/78/70/94/492787094.db2.gz INADQHDVGLURGB-GFCCVEGCSA-N 2 0 362.400 0.105 10 0 FCAERP C[NH+](C)CCn1cc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000631141755 492799967 /nfs/dbraw/zinc/79/99/67/492799967.db2.gz WUVWOQQBXUPPEG-GOSISDBHSA-N 2 0 362.522 0.687 10 0 FCAERP C[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000645220133 492879699 /nfs/dbraw/zinc/87/96/99/492879699.db2.gz NBAAGHAFVFVSHE-OWCLPIDISA-N 2 0 353.511 0.868 10 0 FCAERP CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631917480 492882654 /nfs/dbraw/zinc/88/26/54/492882654.db2.gz LEWSEUIEBNQEQR-QGZVFWFLSA-N 2 0 355.504 0.888 10 0 FCAERP C[NH+](C)CCOc1ccc(CCNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000631917318 492883004 /nfs/dbraw/zinc/88/30/04/492883004.db2.gz JEBYMODAZNTDSA-KRWDZBQOSA-N 2 0 371.503 0.077 10 0 FCAERP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000631918766 492883682 /nfs/dbraw/zinc/88/36/82/492883682.db2.gz LUNFJEJJHXMTOT-KRWDZBQOSA-N 2 0 373.567 0.017 10 0 FCAERP C[C@H](CNS(=O)(=O)C[C@H]1CN(C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000631939926 492892990 /nfs/dbraw/zinc/89/29/90/492892990.db2.gz LKGKHTSAUDDCBF-NVXWUHKLSA-N 2 0 355.504 0.757 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000631942953 492893793 /nfs/dbraw/zinc/89/37/93/492893793.db2.gz JTTWSCVOOUUEBV-SJORKVTESA-N 2 0 358.552 0.418 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000658446568 492896009 /nfs/dbraw/zinc/89/60/09/492896009.db2.gz ATPDQMLVDPJFKZ-UHFFFAOYSA-N 2 0 358.486 0.741 10 0 FCAERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631950868 492897229 /nfs/dbraw/zinc/89/72/29/492897229.db2.gz SMZMPKOSTRJIKJ-QZTJIDSGSA-N 2 0 367.515 0.553 10 0 FCAERP Cc1ccc(C[N@@H+]2CC[C@@H](NS(=O)(=O)C[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000631981984 492903023 /nfs/dbraw/zinc/90/30/23/492903023.db2.gz LJRXPFFOWXIRNQ-SJORKVTESA-N 2 0 353.488 0.477 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631993602 492906735 /nfs/dbraw/zinc/90/67/35/492906735.db2.gz VHIAOQSAQSTILT-HZPDHXFCSA-N 2 0 369.535 0.824 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC000645622636 492946857 /nfs/dbraw/zinc/94/68/57/492946857.db2.gz OKGPNBCZYKRNPX-RHSMWYFYSA-N 2 0 360.458 0.728 10 0 FCAERP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658570943 492960542 /nfs/dbraw/zinc/96/05/42/492960542.db2.gz SFRYPNSGTWJDNK-MRXNPFEDSA-N 2 0 367.538 0.071 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000658618343 492981840 /nfs/dbraw/zinc/98/18/40/492981840.db2.gz XVQYQYPLPWIWNU-JKSUJKDBSA-N 2 0 350.507 0.920 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000652678008 492986529 /nfs/dbraw/zinc/98/65/29/492986529.db2.gz OZZQVJCPWRCCIT-SFHVURJKSA-N 2 0 372.513 0.912 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C[NH3+] ZINC000652678220 492986737 /nfs/dbraw/zinc/98/67/37/492986737.db2.gz YANYOQSCBDIYRK-BZUAXINKSA-N 2 0 354.495 0.045 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000652682672 492989096 /nfs/dbraw/zinc/98/90/96/492989096.db2.gz PVXOKPARTWLROX-HNNXBMFYSA-N 2 0 354.495 0.204 10 0 FCAERP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658651842 492991625 /nfs/dbraw/zinc/99/16/25/492991625.db2.gz QLYJEQRRGNXYAQ-INIZCTEOSA-N 2 0 356.511 0.356 10 0 FCAERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652709341 492996522 /nfs/dbraw/zinc/99/65/22/492996522.db2.gz PELJGCFNPYNTHV-UHFFFAOYSA-N 2 0 364.465 0.961 10 0 FCAERP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)CC2)C1 ZINC000646002843 492999088 /nfs/dbraw/zinc/99/90/88/492999088.db2.gz HFKGFMLUCCRTGR-MIALQEHNSA-N 2 0 364.534 0.757 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652729468 493007879 /nfs/dbraw/zinc/00/78/79/493007879.db2.gz HDZTWOPBKGGGKR-XUWVNRHRSA-N 2 0 354.495 0.140 10 0 FCAERP CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000626791829 493019528 /nfs/dbraw/zinc/01/95/28/493019528.db2.gz GWHMIVUPCRHGKE-UHFFFAOYSA-N 2 0 360.458 0.955 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000626851021 493036240 /nfs/dbraw/zinc/03/62/40/493036240.db2.gz LVBHEIRBQMBPGL-HNNXBMFYSA-N 2 0 374.489 0.879 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCC2([NH3+])CCOCC2)c1 ZINC000626858677 493038638 /nfs/dbraw/zinc/03/86/38/493038638.db2.gz ZCGUHLRZUQPODV-UHFFFAOYSA-N 2 0 364.446 0.190 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000658748542 493039703 /nfs/dbraw/zinc/03/97/03/493039703.db2.gz PVIQGXUTKGMLST-SJORKVTESA-N 2 0 368.522 0.545 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000626867169 493041562 /nfs/dbraw/zinc/04/15/62/493041562.db2.gz PNMJAPOHISKGHA-HNNXBMFYSA-N 2 0 364.446 0.363 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658801765 493060187 /nfs/dbraw/zinc/06/01/87/493060187.db2.gz JRXZPQKKOXKMDE-IAGOWNOFSA-N 2 0 350.507 0.729 10 0 FCAERP CCC(CC)[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)[NH+]1CCOCC1 ZINC000626929569 493065746 /nfs/dbraw/zinc/06/57/46/493065746.db2.gz OMICHTAMRLDBLE-MRXNPFEDSA-N 2 0 356.511 0.931 10 0 FCAERP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123132 493074696 /nfs/dbraw/zinc/07/46/96/493074696.db2.gz ONNOXFRLFYZDOZ-LPHOPBHVSA-N 2 0 351.491 0.621 10 0 FCAERP CCN(C(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658827659 493075115 /nfs/dbraw/zinc/07/51/15/493075115.db2.gz WKQDQIZDIFTDRI-QGZVFWFLSA-N 2 0 368.522 0.234 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000627115754 493089815 /nfs/dbraw/zinc/08/98/15/493089815.db2.gz XFUZXVQWKVSYCI-IRXDYDNUSA-N 2 0 362.474 0.948 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000627115759 493090219 /nfs/dbraw/zinc/09/02/19/493090219.db2.gz XGWGPCIHJTZNAE-SZMVWBNQSA-N 2 0 362.474 0.507 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)cn1 ZINC000633015433 493103356 /nfs/dbraw/zinc/10/33/56/493103356.db2.gz NZEOOVNVBCOWFM-UHFFFAOYSA-N 2 0 370.457 0.345 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC000633030115 493106155 /nfs/dbraw/zinc/10/61/55/493106155.db2.gz ZPBOMXQLRUKLIC-NVXWUHKLSA-N 2 0 373.501 0.426 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCO1 ZINC000658926881 493111975 /nfs/dbraw/zinc/11/19/75/493111975.db2.gz IADHHJJQGLDILQ-JKSUJKDBSA-N 2 0 368.522 0.545 10 0 FCAERP [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000633077901 493116740 /nfs/dbraw/zinc/11/67/40/493116740.db2.gz BXDAPGBYHMNSMN-KRWDZBQOSA-N 2 0 366.506 0.287 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633085898 493118594 /nfs/dbraw/zinc/11/85/94/493118594.db2.gz GZXZBGIKKFSPEQ-HOTGVXAUSA-N 2 0 354.495 0.286 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)C[C@H]1C[NH3+] ZINC000633090054 493120893 /nfs/dbraw/zinc/12/08/93/493120893.db2.gz BEDPSBFMERAIIG-JCCCHCCOSA-N 2 0 350.507 0.763 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000633097853 493124427 /nfs/dbraw/zinc/12/44/27/493124427.db2.gz UVJAJTXEOYFCFA-NXHRZFHOSA-N 2 0 358.486 0.773 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000633103390 493126925 /nfs/dbraw/zinc/12/69/25/493126925.db2.gz REIJUQYAMJFKSW-JKSUJKDBSA-N 2 0 366.506 0.428 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000633106794 493129106 /nfs/dbraw/zinc/12/91/06/493129106.db2.gz WNZBXUVHZFQGBX-HNNXBMFYSA-N 2 0 352.479 0.040 10 0 FCAERP C[C@@]1(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000627286982 493133065 /nfs/dbraw/zinc/13/30/65/493133065.db2.gz GBCRDEICJSRAFL-XLIONFOSSA-N 2 0 374.485 0.262 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000633119217 493133901 /nfs/dbraw/zinc/13/39/01/493133901.db2.gz UHPKGKUHFCMWLV-UHFFFAOYSA-N 2 0 368.522 0.546 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627293005 493137038 /nfs/dbraw/zinc/13/70/38/493137038.db2.gz JCCCVKYQAAECNJ-DZFGPLHGSA-N 2 0 372.513 0.734 10 0 FCAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000659078831 493143129 /nfs/dbraw/zinc/14/31/29/493143129.db2.gz JUNIGZJSPQFCFA-ZWKOTPCHSA-N 2 0 372.469 0.887 10 0 FCAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659079861 493143258 /nfs/dbraw/zinc/14/32/58/493143258.db2.gz ONSKYYTWDDWCRF-DOTOQJQBSA-N 2 0 358.442 0.639 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000627306421 493143924 /nfs/dbraw/zinc/14/39/24/493143924.db2.gz YVCSXUDOXRTEOT-HZMVEIRTSA-N 2 0 366.506 0.127 10 0 FCAERP Cc1cc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)ccc1OCC[NH+](C)C ZINC000659101962 493153353 /nfs/dbraw/zinc/15/33/53/493153353.db2.gz ZZXOTVTUBPPADR-UHFFFAOYSA-N 2 0 360.458 0.824 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000627332881 493157690 /nfs/dbraw/zinc/15/76/90/493157690.db2.gz MXXWYJLPAZQLAW-CGTJXYLNSA-N 2 0 358.486 0.534 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[NH2+]1 ZINC000627338673 493161748 /nfs/dbraw/zinc/16/17/48/493161748.db2.gz MVKRFNZEIHJXQN-GDBMZVCRSA-N 2 0 359.474 0.419 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)CCOCC1 ZINC000627344365 493164514 /nfs/dbraw/zinc/16/45/14/493164514.db2.gz CUAPDLJSMJQYIP-UHFFFAOYSA-N 2 0 352.479 0.134 10 0 FCAERP C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)CN1CC[NH+](C)CC1 ZINC000647179610 493174835 /nfs/dbraw/zinc/17/48/35/493174835.db2.gz GXIDKAUHVYTVCS-ZDUSSCGKSA-N 2 0 358.483 0.446 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000627357497 493174817 /nfs/dbraw/zinc/17/48/17/493174817.db2.gz HTYVGBXJCQCFMB-QAPCUYQASA-N 2 0 358.486 0.808 10 0 FCAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627364494 493180072 /nfs/dbraw/zinc/18/00/72/493180072.db2.gz QDQMIYUZKKYZNO-HOTGVXAUSA-N 2 0 368.522 0.485 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659449132 493182287 /nfs/dbraw/zinc/18/22/87/493182287.db2.gz SCGAYOIJPVXLSF-UHFFFAOYSA-N 2 0 359.474 0.529 10 0 FCAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000659370267 493198327 /nfs/dbraw/zinc/19/83/27/493198327.db2.gz VSJSHUDDWUZXRR-DOTOQJQBSA-N 2 0 356.430 0.943 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000627393772 493199707 /nfs/dbraw/zinc/19/97/07/493199707.db2.gz JZIDUOWIOHDVDL-BMGDILEWSA-N 2 0 358.486 0.880 10 0 FCAERP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627394234 493201430 /nfs/dbraw/zinc/20/14/30/493201430.db2.gz AXXUZJBSNXBVHR-ZMYBRWDISA-N 2 0 350.507 0.681 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000627416824 493208842 /nfs/dbraw/zinc/20/88/42/493208842.db2.gz IQUGLRULMREPHK-HOTGVXAUSA-N 2 0 366.506 0.347 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000627426470 493213467 /nfs/dbraw/zinc/21/34/67/493213467.db2.gz WFGRDLUBNXTYIV-WMLDXEAASA-N 2 0 359.474 0.276 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000659587790 493217019 /nfs/dbraw/zinc/21/70/19/493217019.db2.gz IEEOMNONXBSWLW-QCSYZSNVSA-N 2 0 362.474 0.898 10 0 FCAERP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000659589592 493217536 /nfs/dbraw/zinc/21/75/36/493217536.db2.gz UPIQJWUVSOPNAH-BSDSXHPESA-N 2 0 362.449 0.732 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000659588716 493217751 /nfs/dbraw/zinc/21/77/51/493217751.db2.gz TZSCAXPVMJEFTF-SZMVWBNQSA-N 2 0 361.490 0.425 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCO[C@@H](C[NH3+])C2)cc1F ZINC000659598453 493218316 /nfs/dbraw/zinc/21/83/16/493218316.db2.gz PUEQPFQXHVPQHZ-DZKIICNBSA-N 2 0 366.437 0.649 10 0 FCAERP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659617387 493221067 /nfs/dbraw/zinc/22/10/67/493221067.db2.gz QUUKMCYUDCZHCG-GNZRSQJKSA-N 2 0 373.501 0.327 10 0 FCAERP COc1cccc([C@@H](CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)[NH+](C)C)c1 ZINC000659673673 493244849 /nfs/dbraw/zinc/24/48/49/493244849.db2.gz FKNKFMMLKPOJDH-IAGOWNOFSA-N 2 0 364.490 0.904 10 0 FCAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659675294 493245539 /nfs/dbraw/zinc/24/55/39/493245539.db2.gz NIFWCYAYUXBADJ-TZGCNFNXSA-N 2 0 350.507 0.953 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666978844 493245736 /nfs/dbraw/zinc/24/57/36/493245736.db2.gz GYXRTXFDSPIHNY-KRWDZBQOSA-N 2 0 355.527 0.422 10 0 FCAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659676075 493246597 /nfs/dbraw/zinc/24/65/97/493246597.db2.gz VUHJEZATDGTQQA-RRFJBIMHSA-N 2 0 356.486 0.901 10 0 FCAERP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659679286 493247387 /nfs/dbraw/zinc/24/73/87/493247387.db2.gz UCJWEROLWMDJGA-XPQZIERPSA-N 2 0 370.497 0.883 10 0 FCAERP C[C@H](CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[N@H+](C)Cc1ccccc1 ZINC000659689948 493255193 /nfs/dbraw/zinc/25/51/93/493255193.db2.gz JSXHLTPSFIVMKX-XRTORIHISA-N 2 0 358.486 0.881 10 0 FCAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659690616 493255480 /nfs/dbraw/zinc/25/54/80/493255480.db2.gz PCVHIASHPDLNRG-ZUIJCZDSSA-N 2 0 371.485 0.591 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659693735 493257001 /nfs/dbraw/zinc/25/70/01/493257001.db2.gz JYKPPUKQYJCEQL-XTIMDLJNSA-N 2 0 370.497 0.881 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000659696484 493258529 /nfs/dbraw/zinc/25/85/29/493258529.db2.gz AOCCJYYQDOKKHY-UHFFFAOYSA-N 2 0 356.470 0.501 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659699412 493260475 /nfs/dbraw/zinc/26/04/75/493260475.db2.gz PESOJYRJOGPHSY-VXESANQCSA-N 2 0 356.470 0.574 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)C1=CC[N@H+](C)CC1 ZINC000659701410 493261268 /nfs/dbraw/zinc/26/12/68/493261268.db2.gz DLHICCIXRMLXOU-YJBOKZPZSA-N 2 0 362.518 0.991 10 0 FCAERP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000659706403 493264390 /nfs/dbraw/zinc/26/43/90/493264390.db2.gz KSPYXVMCNBQGJT-DLBZAZTESA-N 2 0 366.506 0.062 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000659716272 493269289 /nfs/dbraw/zinc/26/92/89/493269289.db2.gz VXLYCTSZVCXJEO-ARFHVFGLSA-N 2 0 354.495 0.060 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCO1 ZINC000659717953 493269989 /nfs/dbraw/zinc/26/99/89/493269989.db2.gz MAVAIGMNLNHSLU-OAGGEKHMSA-N 2 0 354.495 0.189 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000659724601 493273674 /nfs/dbraw/zinc/27/36/74/493273674.db2.gz RZYYRGNEDUNIEZ-CRAIPNDOSA-N 2 0 354.495 0.062 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCCCCC1 ZINC000659738672 493279784 /nfs/dbraw/zinc/27/97/84/493279784.db2.gz IECLQLKNVLNJES-MRXNPFEDSA-N 2 0 366.506 0.524 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659740685 493280929 /nfs/dbraw/zinc/28/09/29/493280929.db2.gz FDJSSGYJTMRKFY-IAGOWNOFSA-N 3 0 367.538 0.103 10 0 FCAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659742654 493281936 /nfs/dbraw/zinc/28/19/36/493281936.db2.gz BXZCGJLWFJMQHE-UHFFFAOYSA-N 2 0 358.486 0.753 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000659742677 493282016 /nfs/dbraw/zinc/28/20/16/493282016.db2.gz CUVAGXOARISTRL-VXESANQCSA-N 2 0 362.518 0.969 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659742674 493282044 /nfs/dbraw/zinc/28/20/44/493282044.db2.gz CRRBKEXDXNHEMB-GNZRSQJKSA-N 2 0 356.470 0.588 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000659745945 493283038 /nfs/dbraw/zinc/28/30/38/493283038.db2.gz WPERQCVMZIQRBO-UHFFFAOYSA-N 2 0 374.460 0.728 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000673046362 493283975 /nfs/dbraw/zinc/28/39/75/493283975.db2.gz YVKXRDLFNLZUOL-QGZVFWFLSA-N 2 0 353.507 0.937 10 0 FCAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000673123692 493293239 /nfs/dbraw/zinc/29/32/39/493293239.db2.gz KGNUWDHNABGNNZ-UCHQMPSGSA-N 2 0 350.507 0.917 10 0 FCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668504320 493366894 /nfs/dbraw/zinc/36/68/94/493366894.db2.gz SHWWDJWTZYFIDM-IAGOWNOFSA-N 2 0 368.522 0.546 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C2CC2)C2(CO)CCC2)C1 ZINC000660774691 493378802 /nfs/dbraw/zinc/37/88/02/493378802.db2.gz QVKCZQHMVBGZMJ-QGZVFWFLSA-N 2 0 353.507 0.839 10 0 FCAERP CC[N@@H+]1CCCN(CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000660797670 493380957 /nfs/dbraw/zinc/38/09/57/493380957.db2.gz ZZWGBTMAVDURSQ-ZWKOTPCHSA-N 2 0 354.539 0.876 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000668786850 493410113 /nfs/dbraw/zinc/41/01/13/493410113.db2.gz IZBPBOMDXTYWLP-CABCVRRESA-N 2 0 354.495 0.202 10 0 FCAERP CCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668852987 493422084 /nfs/dbraw/zinc/42/20/84/493422084.db2.gz MSOBMIRUZWFXHF-HNNXBMFYSA-N 2 0 368.522 0.545 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H]2[C@H](C)CO)C1 ZINC000661431033 493436858 /nfs/dbraw/zinc/43/68/58/493436858.db2.gz BEGBUJNVVIIVAT-KZNAEPCWSA-N 2 0 355.523 0.942 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CCO1 ZINC000669026710 493453749 /nfs/dbraw/zinc/45/37/49/493453749.db2.gz JDYXSEPOJFKIKT-OAHLLOKOSA-N 2 0 354.495 0.156 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@](O)(C3CC3)C2)C1 ZINC000661636510 493453890 /nfs/dbraw/zinc/45/38/90/493453890.db2.gz UICSNBYLNQFAII-MJGOQNOKSA-N 2 0 353.507 0.696 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C(C)(C)C[NH+](C)C ZINC000669144730 493468127 /nfs/dbraw/zinc/46/81/27/493468127.db2.gz UKBNPDSDDSCONM-GOEBONIOSA-N 2 0 368.522 0.137 10 0 FCAERP C[C@@H](NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000669144612 493468164 /nfs/dbraw/zinc/46/81/64/493468164.db2.gz RAZJNKUBMTXORX-CVEARBPZSA-N 2 0 370.538 0.648 10 0 FCAERP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000662337895 493507847 /nfs/dbraw/zinc/50/78/47/493507847.db2.gz NMAZSOHXGRHVKM-OKZBNKHCSA-N 2 0 374.533 0.862 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662450983 493516490 /nfs/dbraw/zinc/51/64/90/493516490.db2.gz XLKHWHFIDKXLTG-JKSUJKDBSA-N 2 0 360.506 0.729 10 0 FCAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676093962 493523630 /nfs/dbraw/zinc/52/36/30/493523630.db2.gz DIVWQLPYVQZREW-GASCZTMLSA-N 2 0 364.494 0.762 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC000676098914 493525337 /nfs/dbraw/zinc/52/53/37/493525337.db2.gz HGEHAEULGGVVIS-ZBFHGGJFSA-N 2 0 364.494 0.714 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000662742005 493536166 /nfs/dbraw/zinc/53/61/66/493536166.db2.gz KWGKGAHOXFEZIA-SFHVURJKSA-N 2 0 358.486 0.980 10 0 FCAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662749508 493537265 /nfs/dbraw/zinc/53/72/65/493537265.db2.gz IXGVJKPOQQJYBZ-CABCVRRESA-N 2 0 352.483 0.679 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662788598 493541926 /nfs/dbraw/zinc/54/19/26/493541926.db2.gz MTXSWMAHXQOAEO-HOTGVXAUSA-N 2 0 364.494 0.776 10 0 FCAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662929284 493555014 /nfs/dbraw/zinc/55/50/14/493555014.db2.gz ZGAXOAHCRVJRCX-IAGOWNOFSA-N 2 0 364.465 0.994 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662938648 493556644 /nfs/dbraw/zinc/55/66/44/493556644.db2.gz PKSHLVUYWLJBSC-GVDBMIGSSA-N 2 0 362.449 0.617 10 0 FCAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662947024 493559250 /nfs/dbraw/zinc/55/92/50/493559250.db2.gz GNXOMTUMWWGMHH-JKSUJKDBSA-N 2 0 356.511 0.387 10 0 FCAERP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662953265 493559922 /nfs/dbraw/zinc/55/99/22/493559922.db2.gz LSOGLCUDZHDJDB-CVEARBPZSA-N 2 0 354.495 0.156 10 0 FCAERP CCCN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1CC[NH2+]CC1 ZINC000662951461 493560198 /nfs/dbraw/zinc/56/01/98/493560198.db2.gz ATSDRWBUVRQJQE-KRWDZBQOSA-N 2 0 368.522 0.546 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCO1 ZINC000662969035 493561837 /nfs/dbraw/zinc/56/18/37/493561837.db2.gz KFKOZDQSYJGQRA-YLFCFFPRSA-N 2 0 366.506 0.141 10 0 FCAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662963835 493562035 /nfs/dbraw/zinc/56/20/35/493562035.db2.gz YQNYCCRWPSGUTD-DLBZAZTESA-N 2 0 350.507 0.777 10 0 FCAERP COc1cccc([C@@H](CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)[NH+](C)C)c1 ZINC000670622794 493581279 /nfs/dbraw/zinc/58/12/79/493581279.db2.gz MTZOLMNWVAUTKP-DOTOQJQBSA-N 2 0 362.474 0.625 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC000663580853 493601021 /nfs/dbraw/zinc/60/10/21/493601021.db2.gz WKTYGQHDABSIJC-GOSISDBHSA-N 2 0 369.554 0.765 10 0 FCAERP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000670883938 493609011 /nfs/dbraw/zinc/60/90/11/493609011.db2.gz ABBFILQKSVVYTL-MRXNPFEDSA-N 2 0 362.474 0.454 10 0 FCAERP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664026394 493631134 /nfs/dbraw/zinc/63/11/34/493631134.db2.gz MKNQQDRMROPLHO-DLBZAZTESA-N 2 0 355.527 0.375 10 0 FCAERP CCC[N@H+](C)CC(C)(C)NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000664173435 493641715 /nfs/dbraw/zinc/64/17/15/493641715.db2.gz FMUYGOBQIASGRT-HNNXBMFYSA-N 2 0 355.527 0.993 10 0 FCAERP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000671147173 493643595 /nfs/dbraw/zinc/64/35/95/493643595.db2.gz OYHGUWDSGQCMIW-MSOLQXFVSA-N 2 0 358.486 0.978 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671343514 493657564 /nfs/dbraw/zinc/65/75/64/493657564.db2.gz NOMJWYAXROKZOV-RTBURBONSA-N 2 0 372.513 0.876 10 0 FCAERP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000671389423 493663481 /nfs/dbraw/zinc/66/34/81/493663481.db2.gz CSDYJCGHUZOMSK-GJZGRUSLSA-N 2 0 350.463 0.989 10 0 FCAERP CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C)[C@H]1CC[N@H+](C)C1 ZINC000664884157 493688726 /nfs/dbraw/zinc/68/87/26/493688726.db2.gz VUUKLDMYEQNBDQ-HMQMGEFJSA-N 2 0 365.522 0.806 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)CC1 ZINC000679833495 493696926 /nfs/dbraw/zinc/69/69/26/493696926.db2.gz WLZVVUMXKLUTFW-HZPDHXFCSA-N 2 0 372.307 0.680 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1ncc2c(n1)CCOC2 ZINC000665219178 493705201 /nfs/dbraw/zinc/70/52/01/493705201.db2.gz NSQRTOPRGYAKCP-AWEZNQCLSA-N 2 0 364.494 0.621 10 0 FCAERP C[C@@H](CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000680182577 493710085 /nfs/dbraw/zinc/71/00/85/493710085.db2.gz DIPGXUFPPYEJBW-HNNXBMFYSA-N 2 0 364.494 0.764 10 0 FCAERP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000671904209 493712413 /nfs/dbraw/zinc/71/24/13/493712413.db2.gz ILBFNSMPTROXEJ-RBUKOAKNSA-N 2 0 372.513 0.878 10 0 FCAERP CO[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1CCOC1 ZINC000665477848 493717332 /nfs/dbraw/zinc/71/73/32/493717332.db2.gz QSSPPALHVNFMFM-BPQIPLTHSA-N 2 0 368.522 0.848 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000672165415 493739437 /nfs/dbraw/zinc/73/94/37/493739437.db2.gz XKJJVEHZTLYIPN-IRXDYDNUSA-N 2 0 366.506 0.300 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000672164358 493739488 /nfs/dbraw/zinc/73/94/88/493739488.db2.gz YPQREROQGXFVEJ-BBWFWOEESA-N 2 0 368.522 0.593 10 0 FCAERP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000419556388 535463275 /nfs/dbraw/zinc/46/32/75/535463275.db2.gz IWOGUEPOBZABFZ-HIFRSBDPSA-N 2 0 352.504 0.973 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)c2)CC1 ZINC000415623218 535749878 /nfs/dbraw/zinc/74/98/78/535749878.db2.gz ZHJNUKYTLGZSEO-MAUKXSAKSA-N 2 0 373.501 0.881 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000127587545 546562850 /nfs/dbraw/zinc/56/28/50/546562850.db2.gz ZEPVVWIGLFIECZ-OAHLLOKOSA-N 2 0 350.467 0.326 10 0 FCAERP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000550779959 547103401 /nfs/dbraw/zinc/10/34/01/547103401.db2.gz CLIOGONZBURQKT-INIZCTEOSA-N 2 0 354.495 0.158 10 0 FCAERP CN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550828796 547108604 /nfs/dbraw/zinc/10/86/04/547108604.db2.gz NLBHURDLVQVWLE-WMLDXEAASA-N 2 0 354.520 0.235 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000550900840 547113844 /nfs/dbraw/zinc/11/38/44/547113844.db2.gz DDBFDTZMSAKJLW-MRXNPFEDSA-N 2 0 350.507 0.825 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000550900839 547113882 /nfs/dbraw/zinc/11/38/82/547113882.db2.gz DDBFDTZMSAKJLW-INIZCTEOSA-N 2 0 350.507 0.825 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](C(=O)NCC[NH+](C)CCO)[C@@H](c2cnn(C)c2)C1 ZINC000899741904 665960702 /nfs/dbraw/zinc/96/07/02/665960702.db2.gz VXPGMELJFAOMML-DLBZAZTESA-N 2 0 351.495 0.274 10 0 FCAERP CCO[C@H](CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)C[NH+](C)C ZINC000926834136 664125939 /nfs/dbraw/zinc/12/59/39/664125939.db2.gz FARIQXJRMUYESE-QGZVFWFLSA-N 2 0 356.511 0.707 10 0 FCAERP CCOCCCN1CC[C@H]([NH2+]CC[C@@H]2CNCCS2(=O)=O)[C@@H](C)C1 ZINC000925794234 664816649 /nfs/dbraw/zinc/81/66/49/664816649.db2.gz LWJCNMHHNJGYAD-BBWFWOEESA-N 2 0 361.552 0.490 10 0 FCAERP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000908029024 666178196 /nfs/dbraw/zinc/17/81/96/666178196.db2.gz QEBJLUXFWBJUNB-GOSISDBHSA-N 2 0 351.539 0.299 10 0 FCAERP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000910932145 666293728 /nfs/dbraw/zinc/29/37/28/666293728.db2.gz WBKSJABODJPLJO-MSOLQXFVSA-N 2 0 354.539 0.706 10 0 FCAERP CCO[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)C[NH+](C)C ZINC000913998015 666680296 /nfs/dbraw/zinc/68/02/96/666680296.db2.gz DQKZZCGZTOMGCL-SJORKVTESA-N 2 0 357.543 0.524 10 0 FCAERP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000916843892 667033430 /nfs/dbraw/zinc/03/34/30/667033430.db2.gz XTVXIGHFOPXKRH-WCVJEAGWSA-N 2 0 354.520 0.729 10 0 FCAERP CCO[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+](C)C ZINC000918857367 667138129 /nfs/dbraw/zinc/13/81/29/667138129.db2.gz MYPQBSGRTSEYRQ-DLBZAZTESA-N 2 0 356.511 0.896 10 0 FCAERP CCO[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+](C)C ZINC000918857368 667138342 /nfs/dbraw/zinc/13/83/42/667138342.db2.gz MYPQBSGRTSEYRQ-IAGOWNOFSA-N 2 0 356.511 0.896 10 0 FCAERP C(CN1CC[NH2+]CCN(CC[C@H]2CCC[NH2+]C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000923393963 667830682 /nfs/dbraw/zinc/83/06/82/667830682.db2.gz ANACBMZIRHUBGU-WOJBJXKFSA-N 3 0 351.583 0.973 10 0 FCAERP C[C@H]1CN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC[C@H]1C[NH3+] ZINC000923494442 667841143 /nfs/dbraw/zinc/84/11/43/667841143.db2.gz MXHRYXMJVSZIEQ-ZFWWWQNUSA-N 2 0 353.488 0.623 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cnc(Br)cn1 ZINC000923529622 667843758 /nfs/dbraw/zinc/84/37/58/667843758.db2.gz BPZSBOXWZHBQAU-UHFFFAOYSA-N 2 0 373.299 0.874 10 0 FCAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923600624 667864560 /nfs/dbraw/zinc/86/45/60/667864560.db2.gz ACTQCSLPNHCHMQ-IXDOHACOSA-N 2 0 358.552 0.559 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000819038730 668972570 /nfs/dbraw/zinc/97/25/70/668972570.db2.gz KABSNCMGMKKDGP-CVEARBPZSA-N 2 0 356.511 0.584 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000819071810 668976350 /nfs/dbraw/zinc/97/63/50/668976350.db2.gz ALPARJIKRUTVNI-HZPDHXFCSA-N 2 0 356.511 0.584 10 0 FCAERP COC(=O)[C@@H]1CN(CC[NH+]2CCCC2)[C@@H](C)CN1CC[NH+]1CCCC1 ZINC000831883739 669872246 /nfs/dbraw/zinc/87/22/46/669872246.db2.gz CVUCPUZWRRUBFM-ROUUACIJSA-N 2 0 352.523 0.726 10 0 FCAERP CCCN(CC1CC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867282425 670622164 /nfs/dbraw/zinc/62/21/64/670622164.db2.gz QMBPAISZMFBDJQ-IAGOWNOFSA-N 2 0 352.523 0.833 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CSC[C@H]2C1 ZINC000867438551 671147105 /nfs/dbraw/zinc/14/71/05/671147105.db2.gz REKODZUCYWXVKH-LSDHHAIUSA-N 2 0 356.536 0.150 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](CO)C[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849593632 671353264 /nfs/dbraw/zinc/35/32/64/671353264.db2.gz QPCCMWKTWSWPDC-YESZJQIVSA-N 2 0 351.495 0.273 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000851685282 671457476 /nfs/dbraw/zinc/45/74/76/671457476.db2.gz RHTWADFGLGUKHE-JKSUJKDBSA-N 2 0 354.495 0.236 10 0 FCAERP C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000903283925 675924420 /nfs/dbraw/zinc/92/44/20/675924420.db2.gz YEPOEAAZYRQUSC-VQIMIIECSA-N 2 0 351.491 0.971 10 0 FCAERP C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000903283922 675924447 /nfs/dbraw/zinc/92/44/47/675924447.db2.gz YEPOEAAZYRQUSC-APWZRJJASA-N 2 0 351.491 0.971 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NCc1sccc1C)C2 ZINC000903492702 675933228 /nfs/dbraw/zinc/93/32/28/675933228.db2.gz QKBJZOSTDODKRM-AHIWAGSCSA-N 2 0 351.472 0.885 10 0 FCAERP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861567300 671972624 /nfs/dbraw/zinc/97/26/24/671972624.db2.gz FLIKJXOIDGIQBG-CFVMTHIKSA-N 2 0 353.467 0.293 10 0 FCAERP CC(C)[NH2+]CCCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861639030 671976820 /nfs/dbraw/zinc/97/68/20/671976820.db2.gz OYOPSJHSXAEAHE-CABCVRRESA-N 2 0 353.467 0.341 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[C@H]1CC[NH3+] ZINC000903754259 675968019 /nfs/dbraw/zinc/96/80/19/675968019.db2.gz CSMLLURXTODDRZ-HYVNUMGLSA-N 2 0 350.507 0.620 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903754939 675968267 /nfs/dbraw/zinc/96/82/67/675968267.db2.gz VRLGINYOFPXZIS-QJPTWQEYSA-N 2 0 350.385 0.135 10 0 FCAERP C([C@@H]1CCCC[NH2+]C1)N1CC[NH2+]CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903765671 675970425 /nfs/dbraw/zinc/97/04/25/675970425.db2.gz JYGCECRZQVZDFG-WOJBJXKFSA-N 3 0 351.583 0.973 10 0 FCAERP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903787701 675973604 /nfs/dbraw/zinc/97/36/04/675973604.db2.gz VOWWQGBLFCPTFP-STQMWFEESA-N 2 0 364.412 0.525 10 0 FCAERP COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908884 675981498 /nfs/dbraw/zinc/98/14/98/675981498.db2.gz AKKNWLXDRGVTIC-HMQMGEFJSA-N 2 0 359.536 0.889 10 0 FCAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000863643713 672144405 /nfs/dbraw/zinc/14/44/05/672144405.db2.gz UBRLCJLQZVMJGC-UONOGXRCSA-N 2 0 363.487 0.546 10 0 FCAERP Cc1c(C[C@H](C[NH3+])CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cnn1C ZINC000903933891 675983607 /nfs/dbraw/zinc/98/36/07/675983607.db2.gz AFCZDKMACAJSJL-BHIYHBOVSA-N 3 0 350.555 0.517 10 0 FCAERP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000865584548 672245744 /nfs/dbraw/zinc/24/57/44/672245744.db2.gz WDKZRTKLTVOELA-KGLIPLIRSA-N 2 0 358.483 0.278 10 0 FCAERP C[NH+](C)C1CCN(C(=O)C(F)(F)C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000865902547 672255003 /nfs/dbraw/zinc/25/50/03/672255003.db2.gz XRWMWSOOKOUTDV-UHFFFAOYSA-N 2 0 360.449 0.727 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C[C@@H]1C ZINC000867514846 672329554 /nfs/dbraw/zinc/32/95/54/672329554.db2.gz QSSQNRCFHARQMM-LUKYLMHMSA-N 2 0 350.507 0.870 10 0 FCAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000867524926 672331286 /nfs/dbraw/zinc/33/12/86/672331286.db2.gz RGNAYVKKJCCENM-ULQDDVLXSA-N 2 0 350.507 0.872 10 0 FCAERP CSC[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867546918 672335162 /nfs/dbraw/zinc/33/51/62/672335162.db2.gz UJLLJGYFWFUXCN-OAGGEKHMSA-N 2 0 370.563 0.538 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C3CC3)C2)C[C@H]1C[NH+](C)C ZINC000867547560 672335215 /nfs/dbraw/zinc/33/52/15/672335215.db2.gz DPTHLKOSJCHGBA-GVDBMIGSSA-N 2 0 350.507 0.443 10 0 FCAERP CCN(CCC1CC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867561360 672337469 /nfs/dbraw/zinc/33/74/69/672337469.db2.gz HRBOMYRHLUXZMD-IAGOWNOFSA-N 2 0 352.523 0.833 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc3nonc32)C[C@H]1C[NH+](C)C ZINC000867589841 672343534 /nfs/dbraw/zinc/34/35/34/672343534.db2.gz LUYXEJLUPRDBJF-CHWSQXEVSA-N 2 0 367.475 0.583 10 0 FCAERP Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)o1 ZINC000867676828 672354571 /nfs/dbraw/zinc/35/45/71/672354571.db2.gz HJWNKJYVBBXMPC-HUUCEWRRSA-N 2 0 350.463 0.402 10 0 FCAERP C[NH+]1CCC2(CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)CC2)CC1 ZINC000868392520 672398365 /nfs/dbraw/zinc/39/83/65/672398365.db2.gz BWVPWAMSMAZFQT-UHFFFAOYSA-N 2 0 350.507 0.908 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CCC1(C)C ZINC000868407106 672398950 /nfs/dbraw/zinc/39/89/50/672398950.db2.gz SHLUMBSUILNUDQ-UHFFFAOYSA-N 2 0 354.495 0.286 10 0 FCAERP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000868418524 672399826 /nfs/dbraw/zinc/39/98/26/672399826.db2.gz KEFDRWXMFLURJB-IAGOWNOFSA-N 2 0 350.507 0.920 10 0 FCAERP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868418526 672399897 /nfs/dbraw/zinc/39/98/97/672399897.db2.gz KEFDRWXMFLURJB-SJORKVTESA-N 2 0 350.507 0.920 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000868534691 672403320 /nfs/dbraw/zinc/40/33/20/672403320.db2.gz KCNSHWIHJRSAOF-KBXCAEBGSA-N 2 0 354.495 0.996 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1=O ZINC000869011694 672418015 /nfs/dbraw/zinc/41/80/15/672418015.db2.gz WXPSLIFZNXFOAE-UHFFFAOYSA-N 2 0 353.511 0.665 10 0 FCAERP CCOCCn1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000870017560 672461767 /nfs/dbraw/zinc/46/17/67/672461767.db2.gz NPIZTWKCXFMPJS-IAGOWNOFSA-N 2 0 351.495 0.731 10 0 FCAERP Cc1csc(=O)n1CCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024453 672462437 /nfs/dbraw/zinc/46/24/37/672462437.db2.gz PGOPCSUOPCLWPO-HUUCEWRRSA-N 2 0 354.520 0.806 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH+](C)C ZINC000870024499 672462466 /nfs/dbraw/zinc/46/24/66/672462466.db2.gz QJMMGZYJYMYWGB-HUUCEWRRSA-N 2 0 368.503 0.145 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@]23CCC(=O)N2CCS3)C[C@H]1C[NH+](C)C ZINC000870023746 672462497 /nfs/dbraw/zinc/46/24/97/672462497.db2.gz LDVXFAPMVZEMEH-CPUCHLNUSA-N 2 0 354.520 0.250 10 0 FCAERP O=S(=O)(NCCCOC1CC[NH+](Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000923623063 672510986 /nfs/dbraw/zinc/51/09/86/672510986.db2.gz CHOCHHCZSZTFDD-UHFFFAOYSA-N 2 0 367.515 0.949 10 0 FCAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000870997016 672524631 /nfs/dbraw/zinc/52/46/31/672524631.db2.gz ITZJEYOFNGJDBF-OAGGEKHMSA-N 2 0 350.463 0.500 10 0 FCAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998014 672525013 /nfs/dbraw/zinc/52/50/13/672525013.db2.gz CSAVMURCYSXYCQ-QCODTGAPSA-N 2 0 350.463 0.678 10 0 FCAERP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872189543 672598761 /nfs/dbraw/zinc/59/87/61/672598761.db2.gz HPSDJSRQQXCAEQ-QWHCGFSZSA-N 2 0 364.412 0.382 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872194105 672601962 /nfs/dbraw/zinc/60/19/62/672601962.db2.gz FLKMIKLHKPMNSD-GRYCIOLGSA-N 2 0 350.385 0.135 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872194108 672602000 /nfs/dbraw/zinc/60/20/00/672602000.db2.gz FLKMIKLHKPMNSD-WOPDTQHZSA-N 2 0 350.385 0.135 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCC1(C)C ZINC000872196004 672603547 /nfs/dbraw/zinc/60/35/47/672603547.db2.gz OBTNOWMJTRZTBY-RYUDHWBXSA-N 2 0 364.412 0.525 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000872233085 672607346 /nfs/dbraw/zinc/60/73/46/672607346.db2.gz MLMPOISSCHLNQK-XHSDSOJGSA-N 2 0 356.511 0.488 10 0 FCAERP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872254367 672608513 /nfs/dbraw/zinc/60/85/13/672608513.db2.gz AYTLJXRHZQFTBU-UPJWGTAASA-N 2 0 358.389 0.015 10 0 FCAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872256073 672609187 /nfs/dbraw/zinc/60/91/87/672609187.db2.gz LYNUMSAHDOWZQJ-OAGGEKHMSA-N 2 0 350.463 0.644 10 0 FCAERP CCO[C@H]1COCC[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875490692 672887681 /nfs/dbraw/zinc/88/76/81/672887681.db2.gz XZUGMQUTFDNWTA-VQHPVUNQSA-N 2 0 356.511 0.561 10 0 FCAERP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925165575 673780486 /nfs/dbraw/zinc/78/04/86/673780486.db2.gz TXAPGHIYBLYWBM-OWCLPIDISA-N 2 0 356.536 0.712 10 0 FCAERP CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925488676 673792956 /nfs/dbraw/zinc/79/29/56/673792956.db2.gz FACOEQFNFCTFRS-IRXDYDNUSA-N 2 0 358.552 0.322 10 0 FCAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC000925804970 673804775 /nfs/dbraw/zinc/80/47/75/673804775.db2.gz ONZOGVNOFPODEZ-IAOVAPTHSA-N 2 0 355.504 0.920 10 0 FCAERP CS(=O)(=O)N1CCC([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)CC1 ZINC000925808535 673805009 /nfs/dbraw/zinc/80/50/09/673805009.db2.gz LYRDIOQRZGWMGR-UHFFFAOYSA-N 2 0 366.531 0.605 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC[C@H]1C[NH3+] ZINC000926297012 673820760 /nfs/dbraw/zinc/82/07/60/673820760.db2.gz FPNUXOCGOSQWOW-HOTGVXAUSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC[C@H]1C[NH3+] ZINC000926326542 673822992 /nfs/dbraw/zinc/82/29/92/673822992.db2.gz OOSSTGBSNWWXCZ-CVEARBPZSA-N 2 0 350.507 0.907 10 0 FCAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000926349947 673825575 /nfs/dbraw/zinc/82/55/75/673825575.db2.gz CEWZXNWSNAEBOE-VQIMIIECSA-N 2 0 350.507 0.921 10 0 FCAERP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000929866913 673981401 /nfs/dbraw/zinc/98/14/01/673981401.db2.gz JHWRSCYXJANXJK-HUUCEWRRSA-N 2 0 356.536 0.531 10 0 FCAERP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000900438861 675681850 /nfs/dbraw/zinc/68/18/50/675681850.db2.gz MYPFQHFAPGKFCB-LJQANCHMSA-N 2 0 353.507 0.794 10 0 FCAERP C[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000900845408 675723621 /nfs/dbraw/zinc/72/36/21/675723621.db2.gz ANWTZEJCNKFYRR-FUHWJXTLSA-N 2 0 353.507 0.983 10 0 FCAERP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)CC2)CC1 ZINC000901238419 675774727 /nfs/dbraw/zinc/77/47/27/675774727.db2.gz DUFSRBGLTHCURO-PKOBYXMFSA-N 2 0 352.523 0.459 10 0 FCAERP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000901275188 675778761 /nfs/dbraw/zinc/77/87/61/675778761.db2.gz XHMOZRSMGMUWKB-ZIFCJYIRSA-N 2 0 352.523 0.318 10 0 FCAERP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000901275187 675778920 /nfs/dbraw/zinc/77/89/20/675778920.db2.gz XHMOZRSMGMUWKB-ZHALLVOQSA-N 2 0 352.523 0.318 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC(=O)Nc2cc(C)nn2C)CC[N@@H+]1C ZINC001266706674 1170124292 /nfs/dbraw/zinc/12/42/92/1170124292.db2.gz ZEQQTNYVAUGMBO-LSDHHAIUSA-N 2 0 364.494 0.445 10 0 FCAERP CCN1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000897939560 1192852390 /nfs/dbraw/zinc/85/23/90/1192852390.db2.gz MUGNUAUVCCJKEZ-IKGGRYGDSA-N 2 0 366.506 0.081 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCN1c1cc[nH+]cc1 ZINC000898070562 1192857036 /nfs/dbraw/zinc/85/70/36/1192857036.db2.gz SLCAXVBPYWJIIP-IRXDYDNUSA-N 2 0 373.501 0.967 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)COCC[NH+](C)C)C[C@@]2(C)C1 ZINC001719689308 1179399806 /nfs/dbraw/zinc/39/98/06/1179399806.db2.gz MLKPLNSGNRYLNM-QFBILLFUSA-N 2 0 368.522 0.213 10 0 FCAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001719712652 1179681116 /nfs/dbraw/zinc/68/11/16/1179681116.db2.gz JDRDZEKAQIGIIP-NXHRZFHOSA-N 2 0 364.534 0.881 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001267581493 1181924672 /nfs/dbraw/zinc/92/46/72/1181924672.db2.gz ASRXXLFUKFOQSF-IXDOHACOSA-N 2 0 365.522 0.522 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC(=O)Nc2nccs2)CC[N@@H+]1C ZINC001481231553 1182926073 /nfs/dbraw/zinc/92/60/73/1182926073.db2.gz FYXYUVULVVFCFD-QWHCGFSZSA-N 2 0 353.492 0.860 10 0 FCAERP Cc1cc(NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n(C)n1 ZINC001268367026 1187467753 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FADRDHDNQVBPOJ-GOSISDBHSA-N 2 0 364.534 0.774 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000552939664 1193959725 /nfs/dbraw/zinc/95/97/25/1193959725.db2.gz SWOBVNLRVXOBJK-IRXDYDNUSA-N 2 0 368.522 0.308 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000553274303 1193983899 /nfs/dbraw/zinc/98/38/99/1193983899.db2.gz SPVHHKCSWUFFIS-IRXDYDNUSA-N 2 0 366.506 0.300 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)[C@@H](C)C1 ZINC000842228749 1194108076 /nfs/dbraw/zinc/10/80/76/1194108076.db2.gz AVEZIQXTZJMNEB-YJBOKZPZSA-N 2 0 360.502 0.993 10 0 FCAERP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000842240187 1194116230 /nfs/dbraw/zinc/11/62/30/1194116230.db2.gz OARGYNFHEIMOHW-GOSISDBHSA-N 2 0 360.502 0.878 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000907920929 1195717188 /nfs/dbraw/zinc/71/71/88/1195717188.db2.gz GSMKHFKMGQYWRU-UHFFFAOYSA-N 2 0 358.446 0.811 10 0 FCAERP CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000912733267 1196364885 /nfs/dbraw/zinc/36/48/85/1196364885.db2.gz OZBYXPKOJMMABD-SJORKVTESA-N 2 0 369.506 0.831 10 0 FCAERP O=C(N1CC[C@@H]([NH+]2CCC2)C1)C1(C(=O)N2CC[C@H]([NH+]3CCC3)C2)CCC1 ZINC000912914102 1196383966 /nfs/dbraw/zinc/38/39/66/1196383966.db2.gz VQXXUHSLHGPFEE-CALCHBBNSA-N 2 0 360.502 0.770 10 0 FCAERP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC(C[NH+]3CCCC3)CC1)C2=O ZINC000151824522 1197120845 /nfs/dbraw/zinc/12/08/45/1197120845.db2.gz CIFCUWBQOKBGRQ-UHFFFAOYSA-N 2 0 363.506 0.768 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCNC(=O)CC1 ZINC000815163923 1203030893 /nfs/dbraw/zinc/03/08/93/1203030893.db2.gz XRQDOHPGBUNJCX-MRXNPFEDSA-N 2 0 359.474 0.626 10 0 FCAERP CN(C[C@H](O)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000819053614 1203149044 /nfs/dbraw/zinc/14/90/44/1203149044.db2.gz KAVJCYHCTRYRRI-NVXWUHKLSA-N 2 0 370.538 0.972 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000819193343 1203151753 /nfs/dbraw/zinc/15/17/53/1203151753.db2.gz FPHQVAFLFILEAK-MOPGFXCFSA-N 2 0 360.502 0.376 10 0 FCAERP CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867287937 1208290435 /nfs/dbraw/zinc/29/04/35/1208290435.db2.gz MDTHVVGOJQJLTD-YLFCFFPRSA-N 2 0 368.522 0.210 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1C ZINC001488058518 1208422182 /nfs/dbraw/zinc/42/21/82/1208422182.db2.gz UQJQGINCQMUKKU-OWCLPIDISA-N 2 0 368.522 0.184 10 0 FCAERP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001488967789 1208589770 /nfs/dbraw/zinc/58/97/70/1208589770.db2.gz GLWHGOURGLDCEB-HLLBOEOZSA-N 2 0 366.506 0.108 10 0 FCAERP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001488982021 1208598079 /nfs/dbraw/zinc/59/80/79/1208598079.db2.gz DXQJCYJVUHHGPF-RYQLBKOJSA-N 2 0 363.506 0.682 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001489002839 1208601013 /nfs/dbraw/zinc/60/10/13/1208601013.db2.gz NUAWJEAPLSBORK-HYVNUMGLSA-N 2 0 366.506 0.155 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+][C@@H](C)C(=O)NC ZINC001489017390 1208608402 /nfs/dbraw/zinc/60/84/02/1208608402.db2.gz OVVHFWSLCPAZRQ-GVDBMIGSSA-N 2 0 368.522 0.306 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001489128695 1208635266 /nfs/dbraw/zinc/63/52/66/1208635266.db2.gz OKYROGWIKRCTNO-LSDHHAIUSA-N 2 0 364.490 0.446 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001489366563 1208789971 /nfs/dbraw/zinc/78/99/71/1208789971.db2.gz YFYCELORCOTPJE-HZPDHXFCSA-N 2 0 368.522 0.279 10 0 FCAERP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O)[NH+](CC)CC ZINC001489626496 1209058615 /nfs/dbraw/zinc/05/86/15/1209058615.db2.gz MRGIVLXGPHZOOP-ZACQAIPSSA-N 2 0 368.522 0.137 10 0 FCAERP C[N@H+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001489878280 1209137462 /nfs/dbraw/zinc/13/74/62/1209137462.db2.gz HENOJBAHTUDNDY-ARFHVFGLSA-N 2 0 350.507 0.824 10 0 FCAERP CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001490007879 1209210236 /nfs/dbraw/zinc/21/02/36/1209210236.db2.gz VYWWEBATXWUBHM-JKSUJKDBSA-N 2 0 350.507 0.920 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001490042605 1209223850 /nfs/dbraw/zinc/22/38/50/1209223850.db2.gz OWSCRRLETDNBPT-MSOLQXFVSA-N 2 0 364.534 0.975 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001490306468 1209304076 /nfs/dbraw/zinc/30/40/76/1209304076.db2.gz BJPVJSWTRDNJNO-NXHRZFHOSA-N 2 0 364.534 0.881 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001490365693 1209339125 /nfs/dbraw/zinc/33/91/25/1209339125.db2.gz LILLYIDDEZFEIV-GVDBMIGSSA-N 2 0 352.523 0.879 10 0 FCAERP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000852754615 1209562415 /nfs/dbraw/zinc/56/24/15/1209562415.db2.gz YBSCLGANRNATFY-QGZVFWFLSA-N 2 0 366.506 0.999 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000853247176 1209588560 /nfs/dbraw/zinc/58/85/60/1209588560.db2.gz FSFRMHMDFUCGEG-UHFFFAOYSA-N 2 0 362.474 0.631 10 0 FCAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC(=O)NC(=O)NC)C2)ccn1 ZINC000856587536 1209717093 /nfs/dbraw/zinc/71/70/93/1209717093.db2.gz PHJYWCUYMNKMIC-MRXNPFEDSA-N 2 0 363.462 0.832 10 0 FCAERP [NH3+]C1(CNC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCCCC1 ZINC000861639577 1209873307 /nfs/dbraw/zinc/87/33/07/1209873307.db2.gz NWLBOYNVMYEKJQ-CABCVRRESA-N 2 0 365.478 0.615 10 0 FCAERP CC(C)(C)n1nnc(CC[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)n1 ZINC000863548587 1209944723 /nfs/dbraw/zinc/94/47/23/1209944723.db2.gz SRGMCMMYKJCYSD-KGLIPLIRSA-N 2 0 363.466 0.228 10 0 FCAERP CC(C)[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CC[C@H](O)C2)[C@@H](c2cnn(C)c2)C1 ZINC000863834165 1209953849 /nfs/dbraw/zinc/95/38/49/1209953849.db2.gz FEUZXFXYJKEXPJ-RCCFBDPRSA-N 2 0 363.506 0.417 10 0 FCAERP COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000867606225 1210017427 /nfs/dbraw/zinc/01/74/27/1210017427.db2.gz RDWYBTMIMLPQHL-HZPDHXFCSA-N 2 0 366.506 0.108 10 0 FCAERP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868224298 1210044116 /nfs/dbraw/zinc/04/41/16/1210044116.db2.gz FQQLZKNNLHXJRZ-DLBZAZTESA-N 2 0 359.474 0.193 10 0 FCAERP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000868230959 1210044988 /nfs/dbraw/zinc/04/49/88/1210044988.db2.gz SVGFWIRHGYCLJF-FHLIZLRMSA-N 2 0 372.469 0.620 10 0 FCAERP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000868260291 1210047672 /nfs/dbraw/zinc/04/76/72/1210047672.db2.gz CXTGVASZBHLDDL-AWEZNQCLSA-N 2 0 360.458 0.232 10 0 FCAERP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000868260581 1210047982 /nfs/dbraw/zinc/04/79/82/1210047982.db2.gz GWWMCNXBACCGEH-HNNXBMFYSA-N 2 0 362.474 0.696 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)CC[C@H]21 ZINC000868309804 1210050883 /nfs/dbraw/zinc/05/08/83/1210050883.db2.gz MLUFOVAGYRRXKA-XJKSGUPXSA-N 2 0 358.442 0.660 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000868312026 1210051599 /nfs/dbraw/zinc/05/15/99/1210051599.db2.gz JDQKGFQETGKOHB-GOSISDBHSA-N 2 0 364.494 0.607 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCc4ccccc4[C@@H]3C[NH3+])CC[C@H]21 ZINC000868393639 1210061640 /nfs/dbraw/zinc/06/16/40/1210061640.db2.gz QLJHERBWMLMEKP-NXHRZFHOSA-N 2 0 356.470 0.624 10 0 FCAERP C[NH+]1CCC2(CCN(C(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)CC2)CC1 ZINC000868396704 1210062045 /nfs/dbraw/zinc/06/20/45/1210062045.db2.gz NBPAXPWXTLILPQ-KDURUIRLSA-N 2 0 362.518 0.779 10 0 FCAERP COc1ccc(COCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000870016015 1210099609 /nfs/dbraw/zinc/09/96/09/1210099609.db2.gz AOSYDVKWXMMPLE-IAGOWNOFSA-N 2 0 364.490 0.805 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2COc3ccc(O)cc3O2)C[C@H]1C[NH+](C)C ZINC000870017025 1210099682 /nfs/dbraw/zinc/09/96/82/1210099682.db2.gz FTUFOVINGBWABJ-HBUWYVDXSA-N 2 0 363.458 0.730 10 0 FCAERP C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)n1nnnc1C(C)(C)C ZINC000870022837 1210099941 /nfs/dbraw/zinc/09/99/41/1210099941.db2.gz ZJVANMMYKZHHRW-RBSFLKMASA-N 2 0 365.526 0.729 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nn2)C[C@H]1C[NH+](C)C ZINC000870022054 1210100061 /nfs/dbraw/zinc/10/00/61/1210100061.db2.gz OEFFQMOPXODYBN-HZPDHXFCSA-N 2 0 360.506 0.888 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)Cn2c(=O)cnc3ccccc32)C[C@H]1C[NH+](C)C ZINC000870025067 1210100169 /nfs/dbraw/zinc/10/01/69/1210100169.db2.gz YFJCADQMIMHBDU-HZPDHXFCSA-N 2 0 371.485 0.594 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2-n2cnnn2)C[C@H]1C[NH+](C)C ZINC000870024170 1210100331 /nfs/dbraw/zinc/10/03/31/1210100331.db2.gz WLLLLUBBOZWLIB-HUUCEWRRSA-N 2 0 357.462 0.474 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2OCC(N)=O)C[C@H]1C[NH+](C)C ZINC000870024909 1210100350 /nfs/dbraw/zinc/10/03/50/1210100350.db2.gz WEAPIMARSIFTNL-HUUCEWRRSA-N 2 0 362.474 0.362 10 0 FCAERP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997207 1210124748 /nfs/dbraw/zinc/12/47/48/1210124748.db2.gz KQCIUAISQRFADU-KURKYZTESA-N 2 0 370.453 0.382 10 0 FCAERP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872194251 1210178070 /nfs/dbraw/zinc/17/80/70/1210178070.db2.gz HQMOPJOFCVBQMU-HNAYVOBHSA-N 2 0 362.474 0.628 10 0 FCAERP COc1cccc([C@H]([NH3+])C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000872253898 1210182306 /nfs/dbraw/zinc/18/23/06/1210182306.db2.gz LZZLVLUKMWIZFX-IKGGRYGDSA-N 2 0 374.441 0.479 10 0 FCAERP COC1([C@@H](C)NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCOCC1 ZINC000875678206 1210386752 /nfs/dbraw/zinc/38/67/52/1210386752.db2.gz BKOUGMLKUDKODC-BRWVUGGUSA-N 2 0 370.538 0.951 10 0 FCAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000924731735 1211478702 /nfs/dbraw/zinc/47/87/02/1211478702.db2.gz UYXMHUVVICOIHH-FKEKPDDDSA-N 2 0 366.506 0.996 10 0 FCAERP C[NH+]1CCC(C[NH2+][C@H]2C(=O)NCC23CCOCC3)(N2CCCCC2)CC1 ZINC000925156784 1211491889 /nfs/dbraw/zinc/49/18/89/1211491889.db2.gz QKHLPGGNNVTKQU-KRWDZBQOSA-N 2 0 364.534 0.822 10 0 FCAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(-n2cnnn2)c1 ZINC000925854094 1211509014 /nfs/dbraw/zinc/50/90/14/1211509014.db2.gz KJFVWDPKMJXIBO-CZUORRHYSA-N 2 0 356.430 0.998 10 0 FCAERP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)N1CCNCC[NH2+]CC1 ZINC000926187234 1211520435 /nfs/dbraw/zinc/52/04/35/1211520435.db2.gz AHVVTDJURVUOPN-LJQANCHMSA-N 2 0 372.517 0.998 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926308019 1211528959 /nfs/dbraw/zinc/52/89/59/1211528959.db2.gz LBXZVQTUGSBOFP-JKSUJKDBSA-N 2 0 366.506 0.143 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926324705 1211531144 /nfs/dbraw/zinc/53/11/44/1211531144.db2.gz WRVDNOGZVYDESK-APWZRJJASA-N 2 0 366.506 0.300 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC[C@H]1C[NH3+] ZINC000926348604 1211537444 /nfs/dbraw/zinc/53/74/44/1211537444.db2.gz SSXFISJLBBFVBE-XHSDSOJGSA-N 2 0 366.506 0.141 10 0 FCAERP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[C@]4(C3)CCCC[NH2+]4)C2)CC1 ZINC000926363082 1211539915 /nfs/dbraw/zinc/53/99/15/1211539915.db2.gz WIYHDONRWGJKRP-PXNSSMCTSA-N 2 0 362.518 0.921 10 0 FCAERP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926370867 1211540548 /nfs/dbraw/zinc/54/05/48/1211540548.db2.gz JYNHWFIARIQSRX-HNNXBMFYSA-N 2 0 366.506 0.286 10 0 FCAERP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926441610 1211548778 /nfs/dbraw/zinc/54/87/78/1211548778.db2.gz CVEMDGPSSNJTES-LJQANCHMSA-N 2 0 367.538 0.073 10 0 FCAERP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000927817644 1211583502 /nfs/dbraw/zinc/58/35/02/1211583502.db2.gz NHJMHWBIDKNGKY-CVEARBPZSA-N 2 0 373.501 0.739 10 0 FCAERP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000927841309 1211584455 /nfs/dbraw/zinc/58/44/55/1211584455.db2.gz PFEQKIRJYDJYPA-UHFFFAOYSA-N 2 0 361.490 0.534 10 0 FCAERP CCCn1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cn1 ZINC000927836811 1211584534 /nfs/dbraw/zinc/58/45/34/1211584534.db2.gz ZPKVGCKELGFSJX-CALCHBBNSA-N 2 0 374.489 0.659 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC000927894733 1211590406 /nfs/dbraw/zinc/59/04/06/1211590406.db2.gz ZZZIGLAYCLZPMF-HZPDHXFCSA-N 2 0 373.501 0.820 10 0 FCAERP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000927924950 1211593203 /nfs/dbraw/zinc/59/32/03/1211593203.db2.gz HRFQINPHNKKTMS-GOSISDBHSA-N 2 0 354.414 0.950 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCCC1 ZINC000929161624 1211619816 /nfs/dbraw/zinc/61/98/16/1211619816.db2.gz CGGBKBPUWQEHMS-HZPDHXFCSA-N 2 0 366.506 0.035 10 0 FCAERP C[C@H]1CN(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC(C)(C)O1 ZINC000929954008 1211675413 /nfs/dbraw/zinc/67/54/13/1211675413.db2.gz ROSVLDMGRDTCLE-HNNXBMFYSA-N 2 0 368.522 0.402 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1cccnc1 ZINC000929992303 1211679674 /nfs/dbraw/zinc/67/96/74/1211679674.db2.gz PQLUSUPWOBVDGI-ROUUACIJSA-N 2 0 373.501 0.791 10 0 FCAERP C[C@@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)C1=CC[N@H+](C)CC1 ZINC000930652426 1211716141 /nfs/dbraw/zinc/71/61/41/1211716141.db2.gz KHSUJMOWOBAZAS-QAPCUYQASA-N 2 0 373.501 0.957 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000930932549 1211729211 /nfs/dbraw/zinc/72/92/11/1211729211.db2.gz IVWVDHXJJQEEHL-IRXDYDNUSA-N 2 0 368.522 0.138 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C[NH+](C)C ZINC000931001640 1211733957 /nfs/dbraw/zinc/73/39/57/1211733957.db2.gz XYKZFSKPRVCBAP-NVXWUHKLSA-N 2 0 368.522 0.593 10 0 FCAERP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CC[NH+]3C3CCCCC3)C[C@]2(C)C1 ZINC000931063050 1211738274 /nfs/dbraw/zinc/73/82/74/1211738274.db2.gz USIIOPCJVIZYMZ-SYNHAJSKSA-N 2 0 362.518 0.920 10 0 FCAERP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C[NH+](C)C)CC1 ZINC001490857049 1212572525 /nfs/dbraw/zinc/57/25/25/1212572525.db2.gz VRDMOXSICSNBFG-OAGGEKHMSA-N 2 0 350.507 0.918 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001490869242 1212835462 /nfs/dbraw/zinc/83/54/62/1212835462.db2.gz AQIDFZZTUQXEHT-VQHPVUNQSA-N 2 0 362.518 0.918 10 0 FCAERP CCN(C(=O)C(=O)NCc1cccnc1-n1ccnc1C)[C@H]1CC[N@H+](C)C1 ZINC000827376873 1216593270 /nfs/dbraw/zinc/59/32/70/1216593270.db2.gz JUMQANQMEWQGPP-INIZCTEOSA-N 2 0 370.457 0.745 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC000900480573 1217995214 /nfs/dbraw/zinc/99/52/14/1217995214.db2.gz IDKWLXPMFZGAJT-DJIMGWMZSA-N 2 0 364.494 0.462 10 0 FCAERP C[NH+]1CCN(C[C@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000900543233 1218003168 /nfs/dbraw/zinc/00/31/68/1218003168.db2.gz MPVZESPBFCMAJJ-FPOVZHCZSA-N 2 0 374.529 0.938 10 0 FCAERP C[NH+]1CCN(C[C@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000900543234 1218003407 /nfs/dbraw/zinc/00/34/07/1218003407.db2.gz MPVZESPBFCMAJJ-PZJWPPBQSA-N 2 0 374.529 0.938 10 0 FCAERP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C12CC[NH+](CC1)C2 ZINC000900574711 1218007801 /nfs/dbraw/zinc/00/78/01/1218007801.db2.gz VQIBNMPYDZLHIK-UHFFFAOYSA-N 2 0 358.490 0.591 10 0 FCAERP O=C(N1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC000900813780 1218041813 /nfs/dbraw/zinc/04/18/13/1218041813.db2.gz HJJSGWXQGWGXEQ-DLBZAZTESA-N 2 0 372.513 0.627 10 0 FCAERP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000900979240 1218065589 /nfs/dbraw/zinc/06/55/89/1218065589.db2.gz QZQJPWNBTFARHQ-HNAYVOBHSA-N 2 0 368.522 0.184 10 0 FCAERP CC[NH+](CC)CCN(C(=O)[C@@]12CC[N@H+](C1)CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000901211488 1218093288 /nfs/dbraw/zinc/09/32/88/1218093288.db2.gz DLYRFMZJGFTURS-WMZOPIPTSA-N 2 0 371.547 0.830 10 0 FCAERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903720625 1218506860 /nfs/dbraw/zinc/50/68/60/1218506860.db2.gz DMIXTHNTABNQNL-INIZCTEOSA-N 2 0 364.465 0.912 10 0 FCAERP CC[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CCO1 ZINC000903719484 1218507021 /nfs/dbraw/zinc/50/70/21/1218507021.db2.gz MCNBVJOKRHMLFZ-BBWFWOEESA-N 2 0 364.490 0.051 10 0 FCAERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903720626 1218507124 /nfs/dbraw/zinc/50/71/24/1218507124.db2.gz DMIXTHNTABNQNL-MRXNPFEDSA-N 2 0 364.465 0.912 10 0 FCAERP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C[C@@H](C)O1 ZINC000903730006 1218508471 /nfs/dbraw/zinc/50/84/71/1218508471.db2.gz FMRIQKGJIAUELU-WCVJEAGWSA-N 2 0 366.506 0.282 10 0 FCAERP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C[C@H](C)O1 ZINC000903730007 1218508956 /nfs/dbraw/zinc/50/89/56/1218508956.db2.gz FMRIQKGJIAUELU-XUWVNRHRSA-N 2 0 366.506 0.282 10 0 FCAERP Cc1c(C[C@H](C[NH3+])CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cnn1C ZINC000903909937 1218561838 /nfs/dbraw/zinc/56/18/38/1218561838.db2.gz IZCXCYPPQAFJNP-POAQFYNOSA-N 2 0 362.566 0.804 10 0 FCAERP C(CCC[N@@H+]1CCN2CCOC[C@@H]2C1)CC[NH+]1CCN2CCOC[C@H]2C1 ZINC000755209173 1220132234 /nfs/dbraw/zinc/13/22/34/1220132234.db2.gz VOCFFQSIHSECGZ-BGYRXZFFSA-N 2 0 366.550 0.580 10 0 FCAERP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001118902501 1221842776 /nfs/dbraw/zinc/84/27/76/1221842776.db2.gz MOXYUFLFYVUKDJ-QGZVFWFLSA-N 2 0 368.522 0.404 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)C[C@H]1C[NH+](C)C ZINC001119179571 1221882600 /nfs/dbraw/zinc/88/26/00/1221882600.db2.gz PWSPZGXIMYJTPU-VXNCWWDNSA-N 2 0 368.522 0.705 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C[C@H]1C[NH+](C)C ZINC001119179569 1221882724 /nfs/dbraw/zinc/88/27/24/1221882724.db2.gz PWSPZGXIMYJTPU-MTNOOBJLSA-N 2 0 368.522 0.705 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1C[NH+](C)C ZINC001119247512 1221892593 /nfs/dbraw/zinc/89/25/93/1221892593.db2.gz FQJSJWZSAZHCTI-BZUAXINKSA-N 2 0 365.522 0.378 10 0 FCAERP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC001119640024 1221944172 /nfs/dbraw/zinc/94/41/72/1221944172.db2.gz IHSFQKWLOJASTQ-LJQANCHMSA-N 2 0 360.458 0.533 10 0 FCAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC001119776143 1221969024 /nfs/dbraw/zinc/96/90/24/1221969024.db2.gz HQCXXWSPIRVHPD-YLFCFFPRSA-N 2 0 366.506 0.033 10 0 FCAERP Cc1cn2nc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc2c(=O)[nH]1 ZINC001123843175 1222360863 /nfs/dbraw/zinc/36/08/63/1222360863.db2.gz HEVCZAVDGZGBEB-ZIAGYGMSSA-N 2 0 360.462 0.142 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN(CC[NH+](C)C)CC2)cn1 ZINC000849488928 1245396062 /nfs/dbraw/zinc/39/60/62/1245396062.db2.gz PSOABCYDYZGAFN-ZWKOTPCHSA-N 2 0 362.522 0.161 10 0 FCAERP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849587877 1245405667 /nfs/dbraw/zinc/40/56/67/1245405667.db2.gz VVFAOAYCQVLBIQ-SQNIBIBYSA-N 2 0 365.522 0.664 10 0 FCAERP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@H]2CCCC[NH+]2CCO)cn1 ZINC000849602156 1245406959 /nfs/dbraw/zinc/40/69/59/1245406959.db2.gz YUTDWDOLTVJZTH-SQNIBIBYSA-N 2 0 363.506 0.418 10 0 FCAERP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC000903779119 1245478344 /nfs/dbraw/zinc/47/83/44/1245478344.db2.gz VXNHMMCNEJPDBB-OAHLLOKOSA-N 2 0 359.474 0.897 10 0 FCAERP C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000919297523 1245602932 /nfs/dbraw/zinc/60/29/32/1245602932.db2.gz NDLFZYYKZSHSTM-ZACQAIPSSA-N 2 0 360.506 0.984 10 0 FCAERP CN1CC[NH+](CCCCNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000919509732 1245606209 /nfs/dbraw/zinc/60/62/09/1245606209.db2.gz PKLDQMYCBIBAKE-GOSISDBHSA-N 2 0 367.538 0.567 10 0 FCAERP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001329041432 1265680406 /nfs/dbraw/zinc/68/04/06/1265680406.db2.gz MCJFHODXEDLTPT-INIZCTEOSA-N 2 0 358.442 0.804 10 0 FCAERP CO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H](C)C1 ZINC001329493369 1265767865 /nfs/dbraw/zinc/76/78/65/1265767865.db2.gz DASMKUJDHDGMPR-VQHPVUNQSA-N 2 0 368.522 0.210 10 0 FCAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001329614918 1265792715 /nfs/dbraw/zinc/79/27/15/1265792715.db2.gz ZOECPQALTFOKNT-SJORKVTESA-N 2 0 366.506 0.156 10 0 FCAERP C[N@@H+]1C[C@H](C(=O)N2CCO[C@H](CN3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC001329990942 1265917248 /nfs/dbraw/zinc/91/72/48/1265917248.db2.gz WWMRGIPWNXQISX-AQNXPRMDSA-N 2 0 373.497 0.891 10 0 FCAERP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001330024505 1265927798 /nfs/dbraw/zinc/92/77/98/1265927798.db2.gz QZSFWBYSFYQTIJ-RDJZCZTQSA-N 2 0 368.522 0.450 10 0 FCAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001520830550 1266015187 /nfs/dbraw/zinc/01/51/87/1266015187.db2.gz NGKAANWEHBASSJ-JENIJYKNSA-N 2 0 368.522 0.489 10 0 FCAERP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC001335378321 1259633768 /nfs/dbraw/zinc/63/37/68/1259633768.db2.gz DZHDOAFMNKJHSK-DLBZAZTESA-N 2 0 366.506 0.014 10 0 FCAERP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](CCCCCO)CC1 ZINC001335384150 1259636107 /nfs/dbraw/zinc/63/61/07/1259636107.db2.gz DNEJRQFWNKLPRY-INIZCTEOSA-N 2 0 351.499 0.442 10 0 FCAERP O=C(c1cccc2c1C[NH2+]C2)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001335844956 1259866412 /nfs/dbraw/zinc/86/64/12/1259866412.db2.gz SHHPRTQNFXOJLV-SJORKVTESA-N 2 0 356.426 0.687 10 0 FCAERP COC[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001261865494 1260202702 /nfs/dbraw/zinc/20/27/02/1260202702.db2.gz FQEFJWRIMPDPQF-BRWVUGGUSA-N 2 0 368.522 0.212 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)NCCC3CC[NH2+]CC3)cn2)CC1 ZINC001261874832 1260205341 /nfs/dbraw/zinc/20/53/41/1260205341.db2.gz MHOSOYFGWNKRLD-UHFFFAOYSA-N 2 0 362.478 0.594 10 0 FCAERP C[C@@H]1[C@H](O)CCCN1C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001262122065 1260263428 /nfs/dbraw/zinc/26/34/28/1260263428.db2.gz XEJROPKNSGKOSO-RHSMWYFYSA-N 2 0 366.506 0.033 10 0 FCAERP COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001263943955 1260358488 /nfs/dbraw/zinc/35/84/88/1260358488.db2.gz KNIMRLZHYIXIRA-KSZLIROESA-N 2 0 365.522 0.927 10 0 FCAERP Cn1cc([C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@H]2[NH2+]CCCO)cn1 ZINC001264503349 1260375308 /nfs/dbraw/zinc/37/53/08/1260375308.db2.gz GHXYKJCMHXSZAU-SCTDSRPQSA-N 2 0 361.490 0.172 10 0 FCAERP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001522073877 1266331729 /nfs/dbraw/zinc/33/17/29/1266331729.db2.gz NHRSRGAQUKNQSC-OWSLCNJRSA-N 2 0 350.507 0.382 10 0 FCAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NCc1cccnc1 ZINC001266145673 1260423374 /nfs/dbraw/zinc/42/33/74/1260423374.db2.gz AGXBNCOFPDWMLF-ZMSDIMECSA-N 2 0 361.490 0.522 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)NC(=O)C(C)(C)[NH+](C)CC)CC[N@@H+]1C ZINC001337672887 1260453296 /nfs/dbraw/zinc/45/32/96/1260453296.db2.gz BUKZADNURWOGQA-QLFBSQMISA-N 2 0 356.511 0.040 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]Cc2ccn(C)c(=O)c2)CC[N@@H+]1C ZINC001279717910 1260920031 /nfs/dbraw/zinc/92/00/31/1260920031.db2.gz QCTGPFLXWFJVFU-DLBZAZTESA-N 2 0 364.490 0.026 10 0 FCAERP 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COCC[NH2+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001734606855 1288662970 /nfs/dbraw/zinc/66/29/70/1288662970.db2.gz YPXPXZWTDWJYMJ-BRWVUGGUSA-N 2 0 368.522 0.450 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001736341495 1289267158 /nfs/dbraw/zinc/26/71/58/1289267158.db2.gz JYDNKNIANQLGCW-APWZRJJASA-N 2 0 364.534 0.977 10 0 FCAERP Cc1nc[nH]c1CC(=O)NC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001736376676 1289293668 /nfs/dbraw/zinc/29/36/68/1289293668.db2.gz UGTHAUUHKDDAFA-UKRRQHHQSA-N 2 0 365.478 0.050 10 0 FCAERP CCOC(=O)C1(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCOCC1 ZINC001610913918 1289619485 /nfs/dbraw/zinc/61/94/85/1289619485.db2.gz SZUSGKRCBHDUSH-UHFFFAOYSA-N 2 0 357.495 0.688 10 0 FCAERP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001739422254 1289953026 /nfs/dbraw/zinc/95/30/26/1289953026.db2.gz WVHMDWXISTUGMC-BZUAXINKSA-N 2 0 368.522 0.277 10 0 FCAERP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)C1 ZINC001739430280 1289970783 /nfs/dbraw/zinc/97/07/83/1289970783.db2.gz GAUOWGXMJWMLOH-GVDBMIGSSA-N 2 0 368.522 0.137 10 0 FCAERP CO[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001702312484 1290013416 /nfs/dbraw/zinc/01/34/16/1290013416.db2.gz YMTCCTPTBLIWMV-HZPDHXFCSA-N 2 0 368.522 0.545 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001739512699 1290091435 /nfs/dbraw/zinc/09/14/35/1290091435.db2.gz FOPBQVLVKOAMFA-HYVNUMGLSA-N 2 0 350.507 0.633 10 0 FCAERP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001739585296 1290199013 /nfs/dbraw/zinc/19/90/13/1290199013.db2.gz YJUPNJQKZWCONL-HZPDHXFCSA-N 2 0 354.495 0.156 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001739937221 1290445565 /nfs/dbraw/zinc/44/55/65/1290445565.db2.gz OKJQSCWXBRVYGT-GVDBMIGSSA-N 2 0 368.522 0.260 10 0 FCAERP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001739959118 1290453193 /nfs/dbraw/zinc/45/31/93/1290453193.db2.gz STMWTRQFVXPSNC-ZACQAIPSSA-N 2 0 350.507 0.777 10 0 FCAERP CCOCCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1C ZINC001750927123 1290606454 /nfs/dbraw/zinc/60/64/54/1290606454.db2.gz KWQLNJGJTSGCNF-IKGGRYGDSA-N 2 0 368.522 0.593 10 0 FCAERP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1=O ZINC001651148768 1291199511 /nfs/dbraw/zinc/19/95/11/1291199511.db2.gz ZMSORJMZZJZGTI-DOTOQJQBSA-N 2 0 366.506 0.156 10 0 FCAERP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC([NH2+][C@H]4CCOC4)C3)cc21 ZINC001652690861 1291290656 /nfs/dbraw/zinc/29/06/56/1291290656.db2.gz OCIXKHQLQVQHAY-AWEZNQCLSA-N 2 0 373.457 0.506 10 0 FCAERP Cn1cnnc1CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656253921 1291503494 /nfs/dbraw/zinc/50/34/94/1291503494.db2.gz KHWKADLHZWPBET-DLBZAZTESA-N 2 0 356.474 0.851 10 0 FCAERP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)on1 ZINC001656272158 1291504645 /nfs/dbraw/zinc/50/46/45/1291504645.db2.gz XBGMZRARQCRCCE-RRFJBIMHSA-N 2 0 363.462 0.890 10 0 FCAERP CC(C)N(C)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001656369705 1291516450 /nfs/dbraw/zinc/51/64/50/1291516450.db2.gz OBZVTDIDCLTGFX-JKSUJKDBSA-N 2 0 350.507 0.824 10 0 FCAERP CN(C[C@@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1)CC(F)(F)F ZINC001659831463 1291646046 /nfs/dbraw/zinc/64/60/46/1291646046.db2.gz CJJMGTWZPDEBMX-OAHLLOKOSA-N 2 0 352.445 0.553 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001661601418 1291701468 /nfs/dbraw/zinc/70/14/68/1291701468.db2.gz LPXLLGZTTXRBJL-VVLHAWIVSA-N 2 0 350.507 0.822 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001664806551 1291814452 /nfs/dbraw/zinc/81/44/52/1291814452.db2.gz HDKGVLNQHLFMNM-HLLBOEOZSA-N 2 0 350.507 0.728 10 0 FCAERP CCN(CC[NH2+]CC(=O)Nc1cc(C)nn1C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668435750 1291965497 /nfs/dbraw/zinc/96/54/97/1291965497.db2.gz RTRPGBBFXHSUMH-HUUCEWRRSA-N 2 0 364.494 0.445 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(CC[NH2+][C@@H]2CCNC2=O)Cc2ccccc2)CC[N@@H+]1C ZINC001672388359 1292079243 /nfs/dbraw/zinc/07/92/43/1292079243.db2.gz GIVCSBISQIQISG-KBAYOESNSA-N 2 0 358.486 0.834 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCCO[C@@H]4CCOC4)C[C@@H]3C2)CC[N@@H+]1C ZINC001672417176 1292080426 /nfs/dbraw/zinc/08/04/26/1292080426.db2.gz ZAUAQFAJNFPGNK-UJWQCDCRSA-N 2 0 365.518 0.912 10 0 FCAERP CCOCCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001674375905 1292139318 /nfs/dbraw/zinc/13/93/18/1292139318.db2.gz UXAJDODACABDSV-IXDOHACOSA-N 2 0 368.522 0.450 10 0 FCAERP COC[C@H](O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001675687558 1292182147 /nfs/dbraw/zinc/18/21/47/1292182147.db2.gz BLLVWNYMCYONNJ-RTYCURFASA-N 2 0 353.507 0.504 10 0 FCAERP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1C[N@H+](C)CCN1C ZINC001684804461 1292339014 /nfs/dbraw/zinc/33/90/14/1292339014.db2.gz AGDMBGYJOITJQX-ROUUACIJSA-N 3 0 370.586 0.536 10 0 FCAERP C[NH+](C)CCCC(=O)N1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@]2(C)C1 ZINC001685563144 1292559219 /nfs/dbraw/zinc/55/92/19/1292559219.db2.gz FQGPROCSSHGUKU-QFBILLFUSA-N 2 0 364.534 0.977 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C[C@H]3CCNC(=O)CC3)CC2)CC[N@@H+]1C ZINC001686989296 1292972095 /nfs/dbraw/zinc/97/20/95/1292972095.db2.gz BJPFMUGGXSBWFY-IXDOHACOSA-N 2 0 350.507 0.777 10 0 FCAERP CN1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000694894518 836097398 /nfs/dbraw/zinc/09/73/98/836097398.db2.gz QEGFRFURLGYFBH-ZWKOTPCHSA-N 2 0 366.531 0.474 10 0 FCAERP CC(C)NC(=O)NCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001276983995 861723075 /nfs/dbraw/zinc/72/30/75/861723075.db2.gz YUVXWAXODCLRPH-KLHDSHLOSA-N 2 0 353.511 0.519 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001117091445 846884417 /nfs/dbraw/zinc/88/44/17/846884417.db2.gz FUXPLGCBLRJOJX-QGZVFWFLSA-N 2 0 350.507 0.921 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001277060933 861747929 /nfs/dbraw/zinc/74/79/29/861747929.db2.gz VLAIDFLCTLJNCL-QLFBSQMISA-N 2 0 357.520 0.390 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccc(OCC(F)(F)F)n2)CC1 ZINC001118155394 847300631 /nfs/dbraw/zinc/30/06/31/847300631.db2.gz IKBMUOOKKXQQJN-AWEZNQCLSA-N 2 0 362.396 0.721 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C2CC2)C[C@H]1C[NH+](C)C ZINC001118940395 847643776 /nfs/dbraw/zinc/64/37/76/847643776.db2.gz MWDZDMPTSQTCMB-ZACQAIPSSA-N 2 0 350.507 0.585 10 0 FCAERP CN1C[C@@H](CCNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC001119623433 847912718 /nfs/dbraw/zinc/91/27/18/847912718.db2.gz IAQIGSWEVWBDLL-ARFHVFGLSA-N 2 0 353.511 0.236 10 0 FCAERP CC(C)C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C)C(=O)NCC[NH+](C)C ZINC001123663725 848621914 /nfs/dbraw/zinc/62/19/14/848621914.db2.gz HKDZPMCIMRWNKW-CVEARBPZSA-N 2 0 355.527 0.862 10 0 FCAERP O=C(N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)C1C[NH+](C2CCOCC2)C1 ZINC001123864548 848646701 /nfs/dbraw/zinc/64/67/01/848646701.db2.gz ZMLXGMXMJBIQEC-ROUUACIJSA-N 2 0 351.491 0.591 10 0 FCAERP CC(C)[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001278868871 862545207 /nfs/dbraw/zinc/54/52/07/862545207.db2.gz JUVZBSBGPWTAGJ-ZACQAIPSSA-N 2 0 357.495 0.026 10 0 FCAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@](O)(C2CC2)C1)[NH+]1CC[C@](O)(C2CC2)C1 ZINC001262277803 858846120 /nfs/dbraw/zinc/84/61/20/858846120.db2.gz OUUFOMOOBMXTNH-NIKGAXFTSA-N 2 0 351.491 0.185 10 0 FCAERP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001263906730 859234975 /nfs/dbraw/zinc/23/49/75/859234975.db2.gz WKOOEIAUCLSLLT-ARFHVFGLSA-N 2 0 354.495 0.060 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001263969301 859260170 /nfs/dbraw/zinc/26/01/70/859260170.db2.gz MYPQEKGJKPAZJW-OWCLPIDISA-N 2 0 354.495 0.045 10 0 FCAERP CN1CCC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001264465574 859358968 /nfs/dbraw/zinc/35/89/68/859358968.db2.gz GWAIUMSPTZMMBQ-XHSDSOJGSA-N 2 0 350.507 0.966 10 0 FCAERP C[C@@H](NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1)C1CC1 ZINC001264491254 859365789 /nfs/dbraw/zinc/36/57/89/859365789.db2.gz UGPXFSYWIXXZTQ-HLLBOEOZSA-N 2 0 350.507 0.871 10 0 FCAERP CCO[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC ZINC001264527897 859373576 /nfs/dbraw/zinc/37/35/76/859373576.db2.gz DARABNLWRSIBKV-BZUAXINKSA-N 2 0 354.495 0.060 10 0 FCAERP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCCS(C)(=O)=O)[NH+](C)C ZINC001264564569 859386088 /nfs/dbraw/zinc/38/60/88/859386088.db2.gz XOOOTHCZSBIPTM-PMPSAXMXSA-N 2 0 361.552 0.978 10 0 FCAERP 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CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)c2)CC1 ZINC000187147669 209205334 /nfs/dbraw/zinc/20/53/34/209205334.db2.gz BEUVLYIWRRUPCN-GOSISDBHSA-N 2 0 373.501 0.930 10 0 FCAERP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276282633 212204041 /nfs/dbraw/zinc/20/40/41/212204041.db2.gz FSCWFSXZIPSNOV-MGPUTAFESA-N 2 0 374.485 0.078 10 0 FCAERP COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414903132 245329732 /nfs/dbraw/zinc/32/97/32/245329732.db2.gz JEVGAXPXIFQRSF-CYBMUJFWSA-N 2 0 374.441 0.324 10 0 FCAERP C[C@H](CNC(=O)CN1C[C@@H](O)CC(C)(C)C1)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000931551960 674119520 /nfs/dbraw/zinc/11/95/20/674119520.db2.gz PXPFZCLODCABSA-OWCLPIDISA-N 2 0 355.523 0.677 10 0 FCAERP O=C(C[C@H]1COCC[NH2+]1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000375939515 217335627 /nfs/dbraw/zinc/33/56/27/217335627.db2.gz BJFMDTMUVQTOPR-KRWDZBQOSA-N 2 0 360.458 0.829 10 0 FCAERP 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246141178 /nfs/dbraw/zinc/14/11/78/246141178.db2.gz DVXWDWDQTNMGEM-SJORKVTESA-N 2 0 362.474 0.247 10 0 FCAERP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419433011 246161542 /nfs/dbraw/zinc/16/15/42/246161542.db2.gz YTZJOGKSHCLICV-GOSISDBHSA-N 2 0 358.486 0.809 10 0 FCAERP C[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000419499940 246184314 /nfs/dbraw/zinc/18/43/14/246184314.db2.gz YWMORDISKLDIIH-CVEARBPZSA-N 2 0 355.527 0.109 10 0 FCAERP C[C@H]1C[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419565867 246204809 /nfs/dbraw/zinc/20/48/09/246204809.db2.gz OQHGKEMUKLCKJU-DOTOQJQBSA-N 2 0 358.486 0.868 10 0 FCAERP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000419591930 246211671 /nfs/dbraw/zinc/21/16/71/246211671.db2.gz WALDHEJNDJJJBQ-SCLBCKFNSA-N 2 0 364.515 0.876 10 0 FCAERP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000419556674 246201012 /nfs/dbraw/zinc/20/10/12/246201012.db2.gz 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208296378 /nfs/dbraw/zinc/29/63/78/208296378.db2.gz MFLXBIOQAIBRRQ-CRAIPNDOSA-N 2 0 374.485 0.962 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000119085548 208357015 /nfs/dbraw/zinc/35/70/15/208357015.db2.gz WFZVCGDJDDEARQ-CVEARBPZSA-N 2 0 351.495 0.419 10 0 FCAERP Cn1cnc2c1c(=O)n(CCC[N@H+](C)C[C@H]1CCC[NH+](C)C1)c(=O)n2C ZINC000118841838 208352536 /nfs/dbraw/zinc/35/25/36/208352536.db2.gz KUJSNRHSQRLZQO-AWEZNQCLSA-N 2 0 362.478 0.097 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000176612006 209005641 /nfs/dbraw/zinc/00/56/41/209005641.db2.gz LGWNIZIPHFQKHR-QGZVFWFLSA-N 2 0 356.511 0.848 10 0 FCAERP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000178331197 209048578 /nfs/dbraw/zinc/04/85/78/209048578.db2.gz PAHIJBJAKIIDJR-HNNXBMFYSA-N 2 0 371.507 0.054 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000627907033 484101647 /nfs/dbraw/zinc/10/16/47/484101647.db2.gz MSSDLQDZKFQPPS-HNNXBMFYSA-N 2 0 362.478 0.516 10 0 FCAERP O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C(=O)N1CC[NH2+]CC1 ZINC000311690620 488895200 /nfs/dbraw/zinc/89/52/00/488895200.db2.gz SFTQFNLVXGKEHZ-FGTMMUONSA-N 2 0 356.470 0.445 10 0 FCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000328675721 488929535 /nfs/dbraw/zinc/92/95/35/488929535.db2.gz QZMREXQETACSTF-CRAIPNDOSA-N 2 0 353.507 0.791 10 0 FCAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000054994179 488233991 /nfs/dbraw/zinc/23/39/91/488233991.db2.gz MSXBGRQJKXJOTK-INIZCTEOSA-N 2 0 366.506 0.158 10 0 FCAERP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000074167382 488388670 /nfs/dbraw/zinc/38/86/70/488388670.db2.gz RDGACAYNEAQQFR-MSOLQXFVSA-N 2 0 369.554 0.670 10 0 FCAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000184843809 488398443 /nfs/dbraw/zinc/39/84/43/488398443.db2.gz WTELQRXUIBXBJM-KRWDZBQOSA-N 2 0 370.538 0.833 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000185732320 488402548 /nfs/dbraw/zinc/40/25/48/488402548.db2.gz MCVADQQYZHHXRD-IRXDYDNUSA-N 2 0 355.527 0.422 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077595398 488415984 /nfs/dbraw/zinc/41/59/84/488415984.db2.gz HFFCIMHIWMJJRB-SFHVURJKSA-N 2 0 368.522 0.851 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1=O ZINC000247021296 488480189 /nfs/dbraw/zinc/48/01/89/488480189.db2.gz MZKVNRORHIHQNW-BBWFWOEESA-N 2 0 366.506 0.108 10 0 FCAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@H](C)N2CCOCC2)C[C@H]1CC ZINC000247101631 488481833 /nfs/dbraw/zinc/48/18/33/488481833.db2.gz MQTHNCWGFVSEHC-DLBZAZTESA-N 2 0 356.511 0.849 10 0 FCAERP CNS(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000103210840 488500300 /nfs/dbraw/zinc/50/03/00/488500300.db2.gz AMLKCXQKSMZJFB-UHFFFAOYSA-N 2 0 356.492 0.160 10 0 FCAERP C(=C\C[N@@H+]1CC[C@@H](N2CCOCC2)C1)\C[NH+]1CC[C@H](N2CCOCC2)C1 ZINC000255145370 488522723 /nfs/dbraw/zinc/52/27/23/488522723.db2.gz MMGZUALTBPIRLN-DZNLNZEASA-N 2 0 364.534 0.356 10 0 FCAERP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000261618367 488527320 /nfs/dbraw/zinc/52/73/20/488527320.db2.gz FUGFUNLTBPERBS-HIFRSBDPSA-N 2 0 350.438 0.790 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000111811370 488531294 /nfs/dbraw/zinc/53/12/94/488531294.db2.gz CHRPOHXJJRKTGB-BBWFWOEESA-N 2 0 356.511 0.896 10 0 FCAERP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261858762 488539132 /nfs/dbraw/zinc/53/91/32/488539132.db2.gz WGGZPGRHLCSAOQ-OWLYRPNTSA-N 2 0 358.486 0.773 10 0 FCAERP CC[NH+]1CCN(Cc2ccc(CNC(=O)C3([NH3+])CCOCC3)cc2)CC1 ZINC000261902408 488540873 /nfs/dbraw/zinc/54/08/73/488540873.db2.gz RVVHUAFNNVBEDB-UHFFFAOYSA-N 2 0 360.502 0.948 10 0 FCAERP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H](c1cccs1)N1CCOCC1 ZINC000262247664 488559798 /nfs/dbraw/zinc/55/97/98/488559798.db2.gz 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CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000158673354 488779550 /nfs/dbraw/zinc/77/95/50/488779550.db2.gz ZWDKIPQBUZNXQT-GUDVDZBRSA-N 2 0 366.550 0.876 10 0 FCAERP CC[C@H](O)C[NH+]1CCN(C/C=C/CN2CC[NH+](C[C@@H](O)CC)CC2)CC1 ZINC000173459086 488842941 /nfs/dbraw/zinc/84/29/41/488842941.db2.gz GWNODHJRYNTVQW-KJBZUCPPSA-N 2 0 368.566 0.320 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000173788837 488845381 /nfs/dbraw/zinc/84/53/81/488845381.db2.gz NPMGKAXELWZMTM-IRXDYDNUSA-N 2 0 354.495 0.459 10 0 FCAERP C[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000175781588 488855671 /nfs/dbraw/zinc/85/56/71/488855671.db2.gz XRVKRBVVVYRZJW-IRXDYDNUSA-N 2 0 355.527 0.016 10 0 FCAERP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000175808348 488855940 /nfs/dbraw/zinc/85/59/40/488855940.db2.gz LDMAMJRZTDKWFQ-QZTJIDSGSA-N 2 0 369.554 0.406 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655919352 492488274 /nfs/dbraw/zinc/48/82/74/492488274.db2.gz PVMQUASUMFWWEO-QWHCGFSZSA-N 3 0 353.433 0.934 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000365513510 489082539 /nfs/dbraw/zinc/08/25/39/489082539.db2.gz PGFQNKKOBBDJHF-AEFFLSMTSA-N 2 0 368.522 0.992 10 0 FCAERP COC(=O)[C@]1(C)CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000366030408 489136539 /nfs/dbraw/zinc/13/65/39/489136539.db2.gz CWOGZHJUBPPLHH-MAUKXSAKSA-N 2 0 355.479 0.344 10 0 FCAERP CN1CCC[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000294651242 489189878 /nfs/dbraw/zinc/18/98/78/489189878.db2.gz UQLZLBOWIKPBBU-QGZVFWFLSA-N 2 0 359.474 0.578 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000563456265 491248951 /nfs/dbraw/zinc/24/89/51/491248951.db2.gz FHJFGBGJIZSYCI-WMLDXEAASA-N 2 0 365.522 0.759 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000563512317 491252052 /nfs/dbraw/zinc/25/20/52/491252052.db2.gz 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ZINC000417179371 489644685 /nfs/dbraw/zinc/64/46/85/489644685.db2.gz FOECNLAZLARICR-OALUTQOASA-N 2 0 359.518 0.848 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000457514629 489647833 /nfs/dbraw/zinc/64/78/33/489647833.db2.gz MPXDUBGXQUCXTR-IRXDYDNUSA-N 2 0 356.511 0.489 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417430198 489652798 /nfs/dbraw/zinc/65/27/98/489652798.db2.gz ORWMMQPNDUYANZ-CVEARBPZSA-N 2 0 351.495 0.465 10 0 FCAERP O=C(NCC[C@H]1CCC[NH2+]C1)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000417704092 489661604 /nfs/dbraw/zinc/66/16/04/489661604.db2.gz KUNWTXPBQDELFS-MRXNPFEDSA-N 2 0 365.522 0.620 10 0 FCAERP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000417826010 489667343 /nfs/dbraw/zinc/66/73/43/489667343.db2.gz DBLAUFYJRKDAJL-HYVNUMGLSA-N 2 0 362.449 0.503 10 0 FCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000417833319 489667847 /nfs/dbraw/zinc/66/78/47/489667847.db2.gz DTSPHTIXXQMIPZ-GOEBONIOSA-N 2 0 367.538 0.910 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000469177452 489693615 /nfs/dbraw/zinc/69/36/15/489693615.db2.gz XFOXKTJTXXANJO-AWEZNQCLSA-N 2 0 367.494 0.191 10 0 FCAERP C[C@@]1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000418818035 489736226 /nfs/dbraw/zinc/73/62/26/489736226.db2.gz NGJXDTPGKSYAQW-XLIONFOSSA-N 2 0 374.485 0.262 10 0 FCAERP CN(c1ccccc1C[NH2+]C[C@@H](O)Cn1ccnn1)C1CC[NH+](C)CC1 ZINC000459695595 489747784 /nfs/dbraw/zinc/74/77/84/489747784.db2.gz LBFYZMSZQMJDSI-GOSISDBHSA-N 2 0 358.490 0.959 10 0 FCAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000418879962 489772612 /nfs/dbraw/zinc/77/26/12/489772612.db2.gz URKOOJLGLOSZFC-CGTJXYLNSA-N 2 0 360.502 0.861 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418882954 489774752 /nfs/dbraw/zinc/77/47/52/489774752.db2.gz ZTGUDITYWPLNPO-GOSISDBHSA-N 2 0 372.513 0.878 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000418939067 489797321 /nfs/dbraw/zinc/79/73/21/489797321.db2.gz QTFLIRMDZVRLOD-DZGCQCFKSA-N 2 0 354.495 0.454 10 0 FCAERP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccco1 ZINC000418950169 489801746 /nfs/dbraw/zinc/80/17/46/489801746.db2.gz VUURKRVDNYQZIT-RRFJBIMHSA-N 2 0 350.463 0.893 10 0 FCAERP [NH3+][C@H]1CCN(C(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000418966770 489806485 /nfs/dbraw/zinc/80/64/85/489806485.db2.gz QUNKXWCBPBMXHF-OOKSDGMUSA-N 2 0 356.470 0.858 10 0 FCAERP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000418971497 489808390 /nfs/dbraw/zinc/80/83/90/489808390.db2.gz XUVRRMWBIJYIMM-JSGCOSHPSA-N 2 0 350.438 0.699 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000418972646 489808415 /nfs/dbraw/zinc/80/84/15/489808415.db2.gz ZJBIFXZRPOOSFQ-BLLLJJGKSA-N 2 0 350.438 0.618 10 0 FCAERP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000376892076 489812862 /nfs/dbraw/zinc/81/28/62/489812862.db2.gz HDQDVTZMFRFOHE-OAHLLOKOSA-N 2 0 360.462 0.232 10 0 FCAERP [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCO1 ZINC000419016092 489819787 /nfs/dbraw/zinc/81/97/87/489819787.db2.gz MBGWZPOFLSKYPG-SFHVURJKSA-N 2 0 374.485 0.475 10 0 FCAERP C[NH+](C)CCOc1cc(CNC(=O)NCCNc2cc[nH+]cc2)ccn1 ZINC000476151440 489870143 /nfs/dbraw/zinc/87/01/43/489870143.db2.gz JYWSIBFLWOGJOL-UHFFFAOYSA-N 2 0 358.446 0.750 10 0 FCAERP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000419988906 489874162 /nfs/dbraw/zinc/87/41/62/489874162.db2.gz AIFYGAVTQLOFAW-GOSISDBHSA-N 2 0 358.486 0.979 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000420043335 489891736 /nfs/dbraw/zinc/89/17/36/489891736.db2.gz RTIJFFDLPOYSKR-ARFHVFGLSA-N 2 0 366.506 0.693 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000420093702 489909514 /nfs/dbraw/zinc/90/95/14/489909514.db2.gz CZTNUIFBDYHYAO-OAGGEKHMSA-N 2 0 354.495 0.060 10 0 FCAERP Cc1cc(N2CC[C@@H]([N@@H+](C)CCCN(C)CC[NH+](C)C)C2=O)n(C)n1 ZINC000377491365 489910478 /nfs/dbraw/zinc/91/04/78/489910478.db2.gz NGCBNFOEKIMJNF-MRXNPFEDSA-N 2 0 350.511 0.649 10 0 FCAERP CCC[C@@]1(CO)CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000377503154 489912313 /nfs/dbraw/zinc/91/23/13/489912313.db2.gz BCRJVEBHNXXSSE-IEBWSBKVSA-N 2 0 355.523 0.944 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420108267 489914667 /nfs/dbraw/zinc/91/46/67/489914667.db2.gz XARXVISJUCFQQK-BPQIPLTHSA-N 2 0 358.486 0.834 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420120247 489919044 /nfs/dbraw/zinc/91/90/44/489919044.db2.gz JSWXLSGJQBSARY-RHSMWYFYSA-N 2 0 364.465 0.830 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000420125305 489920570 /nfs/dbraw/zinc/92/05/70/489920570.db2.gz SVYUSFIYEHCJLN-HIFRSBDPSA-N 2 0 352.504 0.753 10 0 FCAERP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000420125858 489920954 /nfs/dbraw/zinc/92/09/54/489920954.db2.gz PXWDIUSPPCLCKH-SJORKVTESA-N 2 0 367.538 0.249 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420127225 489921823 /nfs/dbraw/zinc/92/18/23/489921823.db2.gz VDASYGQFQDCESA-NJAFHUGGSA-N 2 0 358.486 0.834 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000420135659 489925833 /nfs/dbraw/zinc/92/58/33/489925833.db2.gz VKPSUXMRSULQSI-NXHRZFHOSA-N 2 0 358.486 0.976 10 0 FCAERP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000420167160 489938298 /nfs/dbraw/zinc/93/82/98/489938298.db2.gz OPQKXOIADHGECM-KRWDZBQOSA-N 2 0 368.522 0.453 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000377683342 489941379 /nfs/dbraw/zinc/94/13/79/489941379.db2.gz XYPYIBSXVKQWKT-AEFFLSMTSA-N 2 0 367.538 0.565 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@](CO)(C(C)C)C2)C1 ZINC000377728193 489948442 /nfs/dbraw/zinc/94/84/42/489948442.db2.gz VTYRAQOUSQJWDN-MJGOQNOKSA-N 2 0 355.523 0.800 10 0 FCAERP CN(C(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000420202319 489950375 /nfs/dbraw/zinc/95/03/75/489950375.db2.gz PJSHJEDSFYPFDB-PEAZAFBESA-N 2 0 374.529 0.951 10 0 FCAERP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000420215112 489954596 /nfs/dbraw/zinc/95/45/96/489954596.db2.gz RTXKWDLDQFDLNC-RCCFBDPRSA-N 2 0 362.518 0.825 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000571282197 491297651 /nfs/dbraw/zinc/29/76/51/491297651.db2.gz BKTZMYKGZQVMRX-IRXDYDNUSA-N 2 0 363.458 0.674 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000571282195 491297690 /nfs/dbraw/zinc/29/76/90/491297690.db2.gz BKTZMYKGZQVMRX-DLBZAZTESA-N 2 0 363.458 0.674 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000385672988 490128328 /nfs/dbraw/zinc/12/83/28/490128328.db2.gz FDMZGWWQECDJDM-ZWKOTPCHSA-N 2 0 367.515 0.806 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000383765382 490128507 /nfs/dbraw/zinc/12/85/07/490128507.db2.gz GRDGIYYJPVQBPZ-SJORKVTESA-N 2 0 353.488 0.559 10 0 FCAERP C[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000382793915 490129519 /nfs/dbraw/zinc/12/95/19/490129519.db2.gz SIRHMJJCVDVDQA-AEFFLSMTSA-N 2 0 367.515 0.901 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000564358035 491303197 /nfs/dbraw/zinc/30/31/97/491303197.db2.gz OVWMKGAQHGJXMD-MRXNPFEDSA-N 2 0 350.507 0.920 10 0 FCAERP CN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000394113740 490161584 /nfs/dbraw/zinc/16/15/84/490161584.db2.gz SXOIRJPCSXDZAJ-GOSISDBHSA-N 2 0 367.515 0.901 10 0 FCAERP CC1=CC[N@H+](CCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000546568226 490219618 /nfs/dbraw/zinc/21/96/18/490219618.db2.gz HIRWJSSYRBGORU-UHFFFAOYSA-N 2 0 354.414 0.974 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)CC1=O ZINC000498480873 490301100 /nfs/dbraw/zinc/30/11/00/490301100.db2.gz BDPZRURKOYOHMB-KZNAEPCWSA-N 2 0 362.518 0.872 10 0 FCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000571592274 491317909 /nfs/dbraw/zinc/31/79/09/491317909.db2.gz CNAXJMKRBKZOMI-MGNMYUMUSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000564740368 491324008 /nfs/dbraw/zinc/32/40/08/491324008.db2.gz NTADGJZDSCZTST-INIZCTEOSA-N 2 0 355.527 0.992 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC[NH+](C)CCCOC)[C@@H](C)C1 ZINC000509713553 490453438 /nfs/dbraw/zinc/45/34/38/490453438.db2.gz KLJPAOHBVDSJMN-HOTGVXAUSA-N 2 0 356.511 0.260 10 0 FCAERP COc1ccc([C@H](OC)[C@@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000564851282 491331237 /nfs/dbraw/zinc/33/12/37/491331237.db2.gz JHZGRZNXAXDQAZ-HHXXYDBFSA-N 2 0 351.491 0.969 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C3CC3)C[C@H](C)C2)C1 ZINC000451087409 490514500 /nfs/dbraw/zinc/51/45/00/490514500.db2.gz UYUGMADVCUDOFL-MJGOQNOKSA-N 2 0 366.550 0.876 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423061627 490534176 /nfs/dbraw/zinc/53/41/76/490534176.db2.gz LJATZEAFMKNGGN-DNVCBOLYSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511967643 490645185 /nfs/dbraw/zinc/64/51/85/490645185.db2.gz OCWOWXBXBNEQRU-ZGRYLRDCSA-N 2 0 350.507 0.918 10 0 FCAERP NC(=O)C[C@@H]1CCCC[NH+]1CCOCC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000487533045 490717689 /nfs/dbraw/zinc/71/76/89/490717689.db2.gz GENRBLKTIHBFKE-HOTGVXAUSA-N 2 0 354.495 0.463 10 0 FCAERP [NH3+]CC1(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCOCC1 ZINC000529318599 490851015 /nfs/dbraw/zinc/85/10/15/490851015.db2.gz TZUYNZRAHIMMJH-CVEARBPZSA-N 2 0 354.495 0.561 10 0 FCAERP [NH3+][C@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000529334734 490853991 /nfs/dbraw/zinc/85/39/91/490853991.db2.gz VPCHBMPJERTNSI-MRXNPFEDSA-N 2 0 360.462 0.039 10 0 FCAERP COc1cc([C@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)ccc1OCCO ZINC000516438469 490863665 /nfs/dbraw/zinc/86/36/65/490863665.db2.gz ULDIEFVGRBLXJC-DOTOQJQBSA-N 2 0 367.490 0.325 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000541856105 490875732 /nfs/dbraw/zinc/87/57/32/490875732.db2.gz ZTSXLDMBOIUMLT-KRWDZBQOSA-N 2 0 361.490 0.967 10 0 FCAERP COc1ccc([C@@H](C[NH3+])CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000530223845 490893581 /nfs/dbraw/zinc/89/35/81/490893581.db2.gz PXDRUSXAFAEGBG-KRWDZBQOSA-N 2 0 361.490 0.380 10 0 FCAERP CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000530240527 490895011 /nfs/dbraw/zinc/89/50/11/490895011.db2.gz MTLFMZWTFASNKX-DLBZAZTESA-N 2 0 359.536 0.749 10 0 FCAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530242211 490895176 /nfs/dbraw/zinc/89/51/76/490895176.db2.gz LUIGYWPWWAHOHY-UHFFFAOYSA-N 2 0 369.473 0.719 10 0 FCAERP COc1ccc(CN2CC[C@@H]2C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000530240777 490895258 /nfs/dbraw/zinc/89/52/58/490895258.db2.gz NQQVFQDYQYRNOV-MOPGFXCFSA-N 2 0 362.518 0.467 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](CO)C2CCCCC2)C1 ZINC000542913647 490915401 /nfs/dbraw/zinc/91/54/01/490915401.db2.gz IGVXPTPPXLPKJU-ROUUACIJSA-N 2 0 355.523 0.990 10 0 FCAERP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000517730863 490918341 /nfs/dbraw/zinc/91/83/41/490918341.db2.gz CRDKDYLKOWVUGY-GASCZTMLSA-N 2 0 373.457 0.092 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000531291534 490950329 /nfs/dbraw/zinc/95/03/29/490950329.db2.gz RAMIVNLMHGBOLU-FQEVSTJZSA-N 2 0 360.502 0.329 10 0 FCAERP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000519754924 490988322 /nfs/dbraw/zinc/98/83/22/490988322.db2.gz KJZXYEVQMASAKC-XMTFNYHQSA-N 2 0 356.470 0.901 10 0 FCAERP COC(=O)c1nc2nc(C)cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n2n1 ZINC000596362820 491984623 /nfs/dbraw/zinc/98/46/23/491984623.db2.gz DFCVKWIFMITBJK-ZDUSSCGKSA-N 2 0 363.466 0.903 10 0 FCAERP C[NH+]1CCN(c2cc(CNC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)ccn2)CC1 ZINC000572497821 491374438 /nfs/dbraw/zinc/37/44/38/491374438.db2.gz UGEBAOMTWFLTKW-QGZVFWFLSA-N 2 0 358.490 0.869 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000565427961 491375894 /nfs/dbraw/zinc/37/58/94/491375894.db2.gz UBXPGKIEGMTBFK-INIZCTEOSA-N 2 0 354.495 0.155 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)NC2(CNC(=O)C[N@H+]3CC[C@H](C)C3)CCC2)C1 ZINC000565550183 491384325 /nfs/dbraw/zinc/38/43/25/491384325.db2.gz QKMXODJLHHFQHV-JKSUJKDBSA-N 2 0 350.507 0.825 10 0 FCAERP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000566001407 491411731 /nfs/dbraw/zinc/41/17/31/491411731.db2.gz ADCIGYRFOGYNED-QGZVFWFLSA-N 2 0 368.522 0.546 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000558106932 491414114 /nfs/dbraw/zinc/41/41/14/491414114.db2.gz GAJXSQOEPMLAJA-HNNXBMFYSA-N 2 0 350.507 0.991 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[NH+](C(C)C)CC1 ZINC000566060070 491414930 /nfs/dbraw/zinc/41/49/30/491414930.db2.gz OSYRMOHVXCKFJA-INIZCTEOSA-N 2 0 354.495 0.156 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000566063577 491415424 /nfs/dbraw/zinc/41/54/24/491415424.db2.gz CJOSEHSRIVXIJE-GDBMZVCRSA-N 2 0 350.438 0.129 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000573238001 491421983 /nfs/dbraw/zinc/42/19/83/491421983.db2.gz JGKFDGFBUVMVBZ-QZTJIDSGSA-N 2 0 364.465 0.125 10 0 FCAERP CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000668374104 493342245 /nfs/dbraw/zinc/34/22/45/493342245.db2.gz SRANVHFDRHOFNF-INIZCTEOSA-N 2 0 354.495 0.156 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000558442654 491431222 /nfs/dbraw/zinc/43/12/22/491431222.db2.gz MRQSBFBBTFHAOC-PBHICJAKSA-N 2 0 350.507 0.918 10 0 FCAERP CCN1CC[NH+](CCCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000566298143 491433352 /nfs/dbraw/zinc/43/33/52/491433352.db2.gz QBLSUKZRLPMXRZ-MRXNPFEDSA-N 2 0 363.510 0.350 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000566296345 491433664 /nfs/dbraw/zinc/43/36/64/491433664.db2.gz HPMNUTHICOVPNX-IAGOWNOFSA-N 2 0 362.474 0.372 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000566508496 491449937 /nfs/dbraw/zinc/44/99/37/491449937.db2.gz JTLSFKXYFJNALB-BHYGNILZSA-N 2 0 365.522 0.746 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCCN(c3ccccc3F)C2)CC1 ZINC000573835586 491458182 /nfs/dbraw/zinc/45/81/82/491458182.db2.gz RLZJVPJNPRFOPK-IRXDYDNUSA-N 2 0 350.482 0.992 10 0 FCAERP COCC[NH+]1CCC(NC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000566797955 491467700 /nfs/dbraw/zinc/46/77/00/491467700.db2.gz SEAISGGKYJNLAL-GOSISDBHSA-N 2 0 374.485 0.298 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000574445063 491497229 /nfs/dbraw/zinc/49/72/29/491497229.db2.gz OSPXTGHFHJURLD-FQEVSTJZSA-N 2 0 374.529 0.737 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000574450981 491497628 /nfs/dbraw/zinc/49/76/28/491497628.db2.gz XYHIVDZFRBTKOI-HQSKLWIPSA-N 2 0 362.518 0.430 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000574526185 491503106 /nfs/dbraw/zinc/50/31/06/491503106.db2.gz RXZFRSVALCVWIS-UHFFFAOYSA-N 2 0 368.522 0.450 10 0 FCAERP C[NH+](C)CC1(CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CCCC1 ZINC000559837906 491503755 /nfs/dbraw/zinc/50/37/55/491503755.db2.gz QARJFMMSRUWMHC-UHFFFAOYSA-N 2 0 368.522 0.453 10 0 FCAERP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nc1 ZINC000567569685 491514240 /nfs/dbraw/zinc/51/42/40/491514240.db2.gz SKINILWNOACNBV-RHSMWYFYSA-N 2 0 360.458 0.948 10 0 FCAERP COC(=O)[C@](C)(O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000574788503 491520242 /nfs/dbraw/zinc/52/02/42/491520242.db2.gz FLMBSSIEDRSVPM-LJQANCHMSA-N 2 0 369.506 0.615 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000567679991 491522852 /nfs/dbraw/zinc/52/28/52/491522852.db2.gz LZWVORTYHDVWSN-VQTJNVASSA-N 2 0 362.518 0.258 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000560295794 491529200 /nfs/dbraw/zinc/52/92/00/491529200.db2.gz YMQYSLNAVDQLOV-DLBZAZTESA-N 2 0 358.486 0.628 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000575740941 491557751 /nfs/dbraw/zinc/55/77/51/491557751.db2.gz HUHDVDVSZLCYQB-UXHICEINSA-N 2 0 374.529 0.418 10 0 FCAERP C[C@H]1CC2(C[N@@H+]1CCCn1c(=O)c3c(ncn3C)n(C)c1=O)CC[NH2+]CC2 ZINC000575872332 491566800 /nfs/dbraw/zinc/56/68/00/491566800.db2.gz MCCMYVSPIVGRIP-AWEZNQCLSA-N 2 0 374.489 0.288 10 0 FCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000568389985 491573378 /nfs/dbraw/zinc/57/33/78/491573378.db2.gz LUTGURIIAZCPCE-WPECMILSSA-N 2 0 351.491 0.874 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000561119818 491575470 /nfs/dbraw/zinc/57/54/70/491575470.db2.gz DFYIMHGNRQHDKO-HOTGVXAUSA-N 2 0 354.495 0.014 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000561119842 491575624 /nfs/dbraw/zinc/57/56/24/491575624.db2.gz AAJXTESBPROOIM-MRXNPFEDSA-N 2 0 354.495 0.158 10 0 FCAERP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000568499910 491580622 /nfs/dbraw/zinc/58/06/22/491580622.db2.gz YFFXCWKAIFQFOS-IBGZPJMESA-N 2 0 350.507 0.779 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C2CC3CC(C2)CC1C3 ZINC000576450876 491615549 /nfs/dbraw/zinc/61/55/49/491615549.db2.gz UNGOOIYVPRAMDR-PVLUHRGYSA-N 2 0 374.529 0.999 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(N3CCSCC3)CCCCC2)CC1 ZINC000577503234 491626738 /nfs/dbraw/zinc/62/67/38/491626738.db2.gz NUAZRPDGIFAGJX-SFHVURJKSA-N 2 0 370.607 0.936 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000576763831 491642648 /nfs/dbraw/zinc/64/26/48/491642648.db2.gz YCPAAIXLUPNNCP-MRXNPFEDSA-N 2 0 354.495 0.206 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000577731811 491647126 /nfs/dbraw/zinc/64/71/26/491647126.db2.gz UJAQMJPNLSOFEH-CQSZACIVSA-N 2 0 364.446 0.190 10 0 FCAERP C[C@H]1CC[N@H+](CC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000576835647 491649211 /nfs/dbraw/zinc/64/92/11/491649211.db2.gz IWSOAFQXCTWCHD-KRWDZBQOSA-N 2 0 360.506 0.837 10 0 FCAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000578138231 491670756 /nfs/dbraw/zinc/67/07/56/491670756.db2.gz RIHNZFAJKKRCCE-INIZCTEOSA-N 2 0 368.522 0.404 10 0 FCAERP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCCO1 ZINC000578336180 491674975 /nfs/dbraw/zinc/67/49/75/491674975.db2.gz OLFJDMXBOKBCIC-QFBILLFUSA-N 2 0 366.506 0.206 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2nc(C(F)(F)F)cs2)CC1 ZINC000578350626 491675336 /nfs/dbraw/zinc/67/53/36/491675336.db2.gz SLRVLKWZAMGZIB-NSHDSACASA-N 2 0 352.426 0.902 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000578669845 491682208 /nfs/dbraw/zinc/68/22/08/491682208.db2.gz USCRYZBUAAVXAA-GOSISDBHSA-N 2 0 353.511 0.666 10 0 FCAERP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000578851097 491685510 /nfs/dbraw/zinc/68/55/10/491685510.db2.gz AEBOWTOPGMUQIW-IYBDPMFKSA-N 2 0 364.490 0.101 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000579197186 491692796 /nfs/dbraw/zinc/69/27/96/491692796.db2.gz XGJATIWYRJLFOI-ICSRJNTNSA-N 2 0 361.486 0.586 10 0 FCAERP COc1cccc([C@@H]2[C@H](NC(=O)CN3CCNCC3=O)CC[N@@H+]2C2CC2)c1 ZINC000579227095 491693507 /nfs/dbraw/zinc/69/35/07/491693507.db2.gz LXUYYKOGVQMUQQ-YLJYHZDGSA-N 2 0 372.469 0.521 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000580097024 491717501 /nfs/dbraw/zinc/71/75/01/491717501.db2.gz XMGCTAHANPASJD-MRXNPFEDSA-N 2 0 353.511 0.794 10 0 FCAERP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000580294098 491724448 /nfs/dbraw/zinc/72/44/48/491724448.db2.gz UUHDVBWZLYFGRO-XMTFNYHQSA-N 2 0 356.470 0.901 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC1 ZINC000580435435 491731156 /nfs/dbraw/zinc/73/11/56/491731156.db2.gz ZKXSQLGKETZNIO-GOSISDBHSA-N 2 0 352.523 0.366 10 0 FCAERP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(N4CC[NH+](C)CC4)n3)[C@H]2C1 ZINC000580852408 491748852 /nfs/dbraw/zinc/74/88/52/491748852.db2.gz PAPSJGAZGUJYBP-ZWKOTPCHSA-N 2 0 373.501 0.769 10 0 FCAERP CC1[C@H](C(=O)N2CCC([NH+](C)C)CC2)[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000668477364 493361277 /nfs/dbraw/zinc/36/12/77/493361277.db2.gz DECWSCVYSCUUEU-ROUUACIJSA-N 2 0 364.534 0.974 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000581613774 491780123 /nfs/dbraw/zinc/78/01/23/491780123.db2.gz WIRDGCRFUJXCCG-HNNXBMFYSA-N 2 0 354.495 0.062 10 0 FCAERP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000582291015 491805873 /nfs/dbraw/zinc/80/58/73/491805873.db2.gz HOMYRBKTZSIWJN-IBGZPJMESA-N 2 0 350.507 0.968 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000583089991 491837718 /nfs/dbraw/zinc/83/77/18/491837718.db2.gz VTGAGWALIPJUEP-HZPDHXFCSA-N 2 0 356.511 0.306 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000583395889 491844014 /nfs/dbraw/zinc/84/40/14/491844014.db2.gz RCYUYPBKOZWEKB-SJORKVTESA-N 2 0 350.507 0.968 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000583395886 491844093 /nfs/dbraw/zinc/84/40/93/491844093.db2.gz RCYUYPBKOZWEKB-DLBZAZTESA-N 2 0 350.507 0.968 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CCO1 ZINC000611949748 491884902 /nfs/dbraw/zinc/88/49/02/491884902.db2.gz YRQJNIUEIWFUJN-QGZVFWFLSA-N 2 0 373.457 0.520 10 0 FCAERP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595400370 491928702 /nfs/dbraw/zinc/92/87/02/491928702.db2.gz GDJOSEDWOQKNDP-MRXNPFEDSA-N 2 0 368.522 0.498 10 0 FCAERP CC[NH2+][C@H](C)CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612925038 491958331 /nfs/dbraw/zinc/95/83/31/491958331.db2.gz YPSCXINGKHIWJF-CABCVRRESA-N 2 0 363.510 0.706 10 0 FCAERP C[C@@H](CCC[NH3+])NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612924993 491958671 /nfs/dbraw/zinc/95/86/71/491958671.db2.gz MCMANCVERFDOCO-LSDHHAIUSA-N 2 0 363.510 0.836 10 0 FCAERP COC(=O)CCN1CCC[C@H]([N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000595896668 491959939 /nfs/dbraw/zinc/95/99/39/491959939.db2.gz TZRWAGPUVLCRRU-VVLHAWIVSA-N 2 0 367.490 0.759 10 0 FCAERP O=C(NCCC[NH+]1CCCC1)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000606626688 492124835 /nfs/dbraw/zinc/12/48/35/492124835.db2.gz YLMXOFKLWRZQDD-UHFFFAOYSA-N 2 0 365.522 0.716 10 0 FCAERP 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O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654366878 492295707 /nfs/dbraw/zinc/29/57/07/492295707.db2.gz GZGQBRZOWAKFGV-ZWKOTPCHSA-N 2 0 359.474 0.506 10 0 FCAERP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627439711 492295985 /nfs/dbraw/zinc/29/59/85/492295985.db2.gz RVGMBFSZADDTFX-INIZCTEOSA-N 2 0 350.507 0.966 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000647562298 492309507 /nfs/dbraw/zinc/30/95/07/492309507.db2.gz AIUXCVWDUNPXOK-MRXNPFEDSA-N 2 0 366.506 0.110 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000647565007 492311858 /nfs/dbraw/zinc/31/18/58/492311858.db2.gz VVDGRJWCOSDKKP-MRXNPFEDSA-N 2 0 366.506 0.299 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C[NH2+]1 ZINC000627480131 492316179 /nfs/dbraw/zinc/31/61/79/492316179.db2.gz LGOKLEZVKSVUAI-BPQIPLTHSA-N 2 0 358.486 0.976 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C[NH2+]1 ZINC000627481633 492316983 /nfs/dbraw/zinc/31/69/83/492316983.db2.gz GIIUITCNODWETN-KBPBESRZSA-N 2 0 352.504 0.895 10 0 FCAERP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627487781 492319227 /nfs/dbraw/zinc/31/92/27/492319227.db2.gz KNHITMBFTAVEPR-DLBZAZTESA-N 2 0 368.522 0.581 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000627501628 492326057 /nfs/dbraw/zinc/32/60/57/492326057.db2.gz SBKISZOOLDWOFZ-YYIAUSFCSA-N 2 0 350.507 0.966 10 0 FCAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000647595142 492330987 /nfs/dbraw/zinc/33/09/87/492330987.db2.gz PJLISFHYKBALPC-SOLBZPMBSA-N 2 0 356.470 0.814 10 0 FCAERP CC[C@@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC[C@@H]1[NH3+] ZINC000642104445 492335146 /nfs/dbraw/zinc/33/51/46/492335146.db2.gz SVLAHKBUYNPMKE-SQNIBIBYSA-N 2 0 360.502 0.861 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-n2cnnn2)cn1 ZINC000654679513 492337838 /nfs/dbraw/zinc/33/78/38/492337838.db2.gz XFJSTFFQXMCVMB-MRXNPFEDSA-N 2 0 372.477 0.545 10 0 FCAERP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000642196506 492341120 /nfs/dbraw/zinc/34/11/20/492341120.db2.gz NGTNHVNIVIZYPA-ORQFMDKSSA-N 2 0 360.458 0.123 10 0 FCAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)CC2(O)CCOCC2)(N2CCCCC2)CC1 ZINC000634705996 492361420 /nfs/dbraw/zinc/36/14/20/492361420.db2.gz JJWLQCAIOYXQIS-SFHVURJKSA-N 2 0 369.550 0.819 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1=O ZINC000634746005 492366150 /nfs/dbraw/zinc/36/61/50/492366150.db2.gz BJSHXWJJWUFQJX-GJJHYRHESA-N 2 0 362.518 0.777 10 0 FCAERP C[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655970920 492499907 /nfs/dbraw/zinc/49/99/07/492499907.db2.gz NAMUAABKWVYCLR-NCOADZHNSA-N 2 0 353.511 0.173 10 0 FCAERP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000649102142 492500799 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/nfs/dbraw/zinc/57/48/98/492574898.db2.gz RNCLFMAHLNBJSC-WNKDZCFJSA-N 2 0 352.523 0.927 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656299731 492577787 /nfs/dbraw/zinc/57/77/87/492577787.db2.gz CBCYCCUZVIDYOK-KURKYZTESA-N 2 0 360.502 0.732 10 0 FCAERP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCCO1 ZINC000656325960 492593954 /nfs/dbraw/zinc/59/39/54/492593954.db2.gz FUJHFIQAROZAAK-OAGGEKHMSA-N 2 0 354.495 0.060 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000656345641 492605163 /nfs/dbraw/zinc/60/51/63/492605163.db2.gz LKAXVCOZVHKCCH-SJORKVTESA-N 2 0 368.522 0.402 10 0 FCAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650305867 492630725 /nfs/dbraw/zinc/63/07/25/492630725.db2.gz NQIFOLZOLNYHTJ-UHFFFAOYSA-N 2 0 373.501 0.839 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1=O ZINC000650562458 492651591 /nfs/dbraw/zinc/65/15/91/492651591.db2.gz VZSUIBZLKKJLGI-UHFFFAOYSA-N 2 0 353.511 0.666 10 0 FCAERP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629590510 492657490 /nfs/dbraw/zinc/65/74/90/492657490.db2.gz JNBXIWAGSHJUFC-PBHICJAKSA-N 2 0 366.506 0.202 10 0 FCAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650856642 492676402 /nfs/dbraw/zinc/67/64/02/492676402.db2.gz AXFJEZGPWISOTP-IYBDPMFKSA-N 2 0 353.511 0.665 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCCC[C@H]([NH+]3CCCC3)C1)C2 ZINC000629797491 492676697 /nfs/dbraw/zinc/67/66/97/492676697.db2.gz YCJNYDDNXPNGIJ-FFZOFVMBSA-N 2 0 362.518 0.921 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[C@@H](C)C1 ZINC000629800236 492678460 /nfs/dbraw/zinc/67/84/60/492678460.db2.gz YLVBEZRERACERD-QGWWYQLQSA-N 2 0 350.507 0.633 10 0 FCAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629800413 492678485 /nfs/dbraw/zinc/67/84/85/492678485.db2.gz SHBBFVUZQAKRNR-ZYSHUDEJSA-N 2 0 350.507 0.777 10 0 FCAERP C[NH+](C)CC[C@@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C(C)(C)C ZINC000650879315 492680744 /nfs/dbraw/zinc/68/07/44/492680744.db2.gz NWQHRHRTGKDRRT-OAHLLOKOSA-N 2 0 355.527 0.768 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCO1 ZINC000629805599 492681394 /nfs/dbraw/zinc/68/13/94/492681394.db2.gz AWKNBJFEKGRMLO-ZYSHUDEJSA-N 2 0 366.506 0.014 10 0 FCAERP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000629817729 492687005 /nfs/dbraw/zinc/68/70/05/492687005.db2.gz VMMXFHJTHIQNCM-MRXNPFEDSA-N 2 0 366.506 0.156 10 0 FCAERP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000629816377 492687280 /nfs/dbraw/zinc/68/72/80/492687280.db2.gz GKTVLIJTVXILJT-HZPDHXFCSA-N 2 0 366.506 0.286 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650980790 492690928 /nfs/dbraw/zinc/69/09/28/492690928.db2.gz XEFMNDOYOCRYAZ-QGZVFWFLSA-N 2 0 367.538 0.770 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644297570 492696462 /nfs/dbraw/zinc/69/64/62/492696462.db2.gz BSMNMOQDLYWCSI-GJZGRUSLSA-N 2 0 355.508 0.386 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1=O ZINC000651068197 492703272 /nfs/dbraw/zinc/70/32/72/492703272.db2.gz MVHNJFOHZNQHBO-OAHLLOKOSA-N 2 0 353.511 0.522 10 0 FCAERP CN1CCO[C@H](CS(=O)(=O)NCc2ccccc2Cn2ccnc2)C1 ZINC000631724661 492840983 /nfs/dbraw/zinc/84/09/83/492840983.db2.gz BXYLASAPFRNYDD-KRWDZBQOSA-N 2 0 364.471 0.681 10 0 FCAERP CC(C)[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)N1CCOCC1 ZINC000645129568 492870335 /nfs/dbraw/zinc/87/03/35/492870335.db2.gz YVWZAVBAWDNUOB-JKSUJKDBSA-N 2 0 369.510 0.105 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000631909667 492875583 /nfs/dbraw/zinc/87/55/83/492875583.db2.gz LLVYZVXMBMPSJI-DLBZAZTESA-N 2 0 353.488 0.731 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000631911488 492878135 /nfs/dbraw/zinc/87/81/35/492878135.db2.gz HNUKQVKTICVKKA-KRWDZBQOSA-N 2 0 353.488 0.343 10 0 FCAERP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000625747461 492878678 /nfs/dbraw/zinc/87/86/78/492878678.db2.gz PUQJSXRZPNUNLG-MRXNPFEDSA-N 2 0 366.506 0.252 10 0 FCAERP Cc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631912578 492878820 /nfs/dbraw/zinc/87/88/20/492878820.db2.gz PYJWOHBPUGRUTO-GOSISDBHSA-N 2 0 367.515 0.821 10 0 FCAERP C[NH+](C)CCN(CCCc1ccccc1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631916574 492882106 /nfs/dbraw/zinc/88/21/06/492882106.db2.gz YQARCICLRNBCIO-GOSISDBHSA-N 2 0 369.531 0.801 10 0 FCAERP [NH3+][C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[C@H]1c1ccc(F)cc1 ZINC000631952390 492897198 /nfs/dbraw/zinc/89/71/98/492897198.db2.gz GQBBQGYPCCGIHB-OWCLPIDISA-N 2 0 357.451 0.261 10 0 FCAERP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658471227 492907367 /nfs/dbraw/zinc/90/73/67/492907367.db2.gz CYUPJNJOOCAPQA-UHFFFAOYSA-N 2 0 352.523 0.977 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000658526638 492928686 /nfs/dbraw/zinc/92/86/86/492928686.db2.gz DPGKDVGWNNYRFU-UHFFFAOYSA-N 2 0 364.465 0.736 10 0 FCAERP CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632104583 492930379 /nfs/dbraw/zinc/93/03/79/492930379.db2.gz JUFGBTRKJYOBNO-MSOLQXFVSA-N 2 0 367.515 0.853 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccnn2-c2ccncc2)CC1 ZINC000652625542 492972621 /nfs/dbraw/zinc/97/26/21/492972621.db2.gz DXZONKGFDUOHOV-UHFFFAOYSA-N 2 0 372.429 0.433 10 0 FCAERP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000626410316 492973150 /nfs/dbraw/zinc/97/31/50/492973150.db2.gz BFDDOMQMEYKLLY-HNNXBMFYSA-N 2 0 357.418 0.729 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1F ZINC000652633938 492974314 /nfs/dbraw/zinc/97/43/14/492974314.db2.gz IDTTUKINPQZYQW-UHFFFAOYSA-N 2 0 366.437 0.950 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000652672114 492984101 /nfs/dbraw/zinc/98/41/01/492984101.db2.gz YZHZLAFVKBJINE-JKSUJKDBSA-N 2 0 366.506 0.116 10 0 FCAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000658644080 492989070 /nfs/dbraw/zinc/98/90/70/492989070.db2.gz LUOHEFVAOGQJCI-OWCLPIDISA-N 2 0 350.507 0.918 10 0 FCAERP COc1cc[nH+]c(N2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)CC2)c1 ZINC000645934807 492989634 /nfs/dbraw/zinc/98/96/34/492989634.db2.gz BGBGBDHXCCOLOL-CQSZACIVSA-N 2 0 371.445 0.569 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000658659513 492993844 /nfs/dbraw/zinc/99/38/44/492993844.db2.gz JAOWYKFOADKNAL-DLBZAZTESA-N 2 0 368.522 0.356 10 0 FCAERP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)C2)CC1 ZINC000645978175 492994961 /nfs/dbraw/zinc/99/49/61/492994961.db2.gz WCIRWUNJDPNZBT-DZIWXPPMSA-N 2 0 364.534 0.804 10 0 FCAERP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)CC2)C1 ZINC000646002811 492999258 /nfs/dbraw/zinc/99/92/58/492999258.db2.gz FXPGLGGRNVLYQW-HOTGVXAUSA-N 2 0 361.494 0.055 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000652718754 493001321 /nfs/dbraw/zinc/00/13/21/493001321.db2.gz LTFPALSZSPMWGV-UHFFFAOYSA-N 2 0 367.453 0.766 10 0 FCAERP CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000626805235 493022671 /nfs/dbraw/zinc/02/26/71/493022671.db2.gz DQHRMNILHCTIFW-UHFFFAOYSA-N 2 0 360.458 0.955 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000626848675 493035769 /nfs/dbraw/zinc/03/57/69/493035769.db2.gz GJBKPRUQRHVMJQ-INIZCTEOSA-N 2 0 360.458 0.966 10 0 FCAERP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658748135 493039730 /nfs/dbraw/zinc/03/97/30/493039730.db2.gz KBWMAPMLASUYNY-RDJZCZTQSA-N 2 0 366.506 0.033 10 0 FCAERP CN(CCOCC[NH3+])C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000626897330 493056311 /nfs/dbraw/zinc/05/63/11/493056311.db2.gz WSWIFPJJZWJJRR-HNNXBMFYSA-N 2 0 364.446 0.444 10 0 FCAERP CCN(C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658800835 493059404 /nfs/dbraw/zinc/05/94/04/493059404.db2.gz AYPAGVPYOSRXSI-INIZCTEOSA-N 2 0 368.522 0.498 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658801763 493060626 /nfs/dbraw/zinc/06/06/26/493060626.db2.gz JRXZPQKKOXKMDE-DLBZAZTESA-N 2 0 350.507 0.729 10 0 FCAERP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626951559 493069959 /nfs/dbraw/zinc/06/99/59/493069959.db2.gz AJTAWHFSYYRJAF-OAHLLOKOSA-N 2 0 354.499 0.069 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626964363 493071221 /nfs/dbraw/zinc/07/12/21/493071221.db2.gz QIEALIGQJNBNCM-LSDHHAIUSA-N 2 0 351.495 0.513 10 0 FCAERP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)C1 ZINC000653115517 493072666 /nfs/dbraw/zinc/07/26/66/493072666.db2.gz RHXMXVHPMOVBQN-FTRWYGJKSA-N 2 0 372.469 0.558 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626986174 493075452 /nfs/dbraw/zinc/07/54/52/493075452.db2.gz BKGVMCUCLHJCIS-QGZVFWFLSA-N 2 0 356.511 0.755 10 0 FCAERP CN1CCC(CNC(=O)NC2(C[NH3+])CCOCC2)([NH+]2CCCCC2)CC1 ZINC000626989494 493075884 /nfs/dbraw/zinc/07/58/84/493075884.db2.gz XTTUIPAAFMHLAC-UHFFFAOYSA-N 2 0 367.538 0.744 10 0 FCAERP CN1CC[N@H+](CCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@@H](c2ccccc2)C1 ZINC000653125272 493075907 /nfs/dbraw/zinc/07/59/07/493075907.db2.gz VARBOEQAHJZERC-ZVDOUQERSA-N 2 0 372.513 0.717 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000627002182 493078217 /nfs/dbraw/zinc/07/82/17/493078217.db2.gz OBANOYMLUAMAOU-SJORKVTESA-N 2 0 356.511 0.632 10 0 FCAERP C[NH2+]CCOCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000627019730 493082166 /nfs/dbraw/zinc/08/21/66/493082166.db2.gz NASOAKLOYXGHTJ-SFHVURJKSA-N 2 0 364.490 0.813 10 0 FCAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627038083 493083947 /nfs/dbraw/zinc/08/39/47/493083947.db2.gz HKTRWGUEVUIYIZ-INIZCTEOSA-N 2 0 368.526 0.459 10 0 FCAERP CCO[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@H]1C[NH3+] ZINC000653247052 493086551 /nfs/dbraw/zinc/08/65/51/493086551.db2.gz JOEYLTANIPWTNB-IAGOWNOFSA-N 2 0 361.490 0.416 10 0 FCAERP CCO[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC000653247178 493086715 /nfs/dbraw/zinc/08/67/15/493086715.db2.gz OSBOYBBLYQUNPB-RTBURBONSA-N 2 0 360.502 0.870 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)C(=O)NCC[NH+](C)C ZINC000627131926 493094287 /nfs/dbraw/zinc/09/42/87/493094287.db2.gz ZNAFARDDGRXTRP-LSDHHAIUSA-N 2 0 353.511 0.663 10 0 FCAERP C[NH2+]CCOCCNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000627176076 493100976 /nfs/dbraw/zinc/10/09/76/493100976.db2.gz ISHSLAOJHWOXQP-SFHVURJKSA-N 2 0 350.463 0.159 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CCCCC[C@H]([NH3+])C3)cn2)CC1 ZINC000633012995 493103165 /nfs/dbraw/zinc/10/31/65/493103165.db2.gz SKIBXOSTRWDJFH-AWEZNQCLSA-N 2 0 362.478 0.818 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627206702 493107135 /nfs/dbraw/zinc/10/71/35/493107135.db2.gz IAGPRDBEHCRISW-HOTGVXAUSA-N 2 0 356.511 0.896 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C[NH2+]1 ZINC000627205585 493107395 /nfs/dbraw/zinc/10/73/95/493107395.db2.gz CBPSCTQPJCBERP-LVQVYYBASA-N 2 0 351.495 0.417 10 0 FCAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000627226864 493110907 /nfs/dbraw/zinc/11/09/07/493110907.db2.gz SXLRMVJYKSYUTM-JYJNAYRXSA-N 2 0 351.495 0.370 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000627241690 493116131 /nfs/dbraw/zinc/11/61/31/493116131.db2.gz JKPXPVANCFMURF-UAGQMJEPSA-N 2 0 361.490 0.325 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000633085300 493118840 /nfs/dbraw/zinc/11/88/40/493118840.db2.gz QCKWAUCJLVXAFU-GDBMZVCRSA-N 2 0 364.465 0.769 10 0 FCAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000633096748 493123422 /nfs/dbraw/zinc/12/34/22/493123422.db2.gz AMMAIUXWFZGXKQ-SJORKVTESA-N 2 0 350.507 0.907 10 0 FCAERP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000633102038 493126274 /nfs/dbraw/zinc/12/62/74/493126274.db2.gz QHROMNGSDIJKKS-INIZCTEOSA-N 2 0 368.522 0.676 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)C3(C(=O)N4CC[C@H]5C[N@@H+](C)C[C@@H]54)CCC3)[C@H]2C1 ZINC000646923749 493127803 /nfs/dbraw/zinc/12/78/03/493127803.db2.gz ZDXBARRALMGJJR-YVSFHVDLSA-N 2 0 360.502 0.482 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CCO1 ZINC000633109093 493129815 /nfs/dbraw/zinc/12/98/15/493129815.db2.gz LBVWQQRZMRMGIH-JKSUJKDBSA-N 2 0 354.495 0.286 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCC(C)([NH+]3CCCC3)CC1)C2 ZINC000633108451 493130107 /nfs/dbraw/zinc/13/01/07/493130107.db2.gz FDZIQZNPEBTUNR-KDURUIRLSA-N 2 0 362.518 0.921 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000633118763 493133148 /nfs/dbraw/zinc/13/31/48/493133148.db2.gz SRHZMJZYPGISPZ-SFHVURJKSA-N 2 0 350.507 0.921 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000627291831 493136151 /nfs/dbraw/zinc/13/61/51/493136151.db2.gz GGQPGWLCFHNULX-BFHYXJOUSA-N 2 0 350.488 0.868 10 0 FCAERP C[C@H]1CCC[C@](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)([NH+](C)C)C1 ZINC000627301965 493142475 /nfs/dbraw/zinc/14/24/75/493142475.db2.gz UHZIVXWPOYCSGW-KSSFIOAISA-N 2 0 354.495 0.237 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCOCC1 ZINC000627309400 493144803 /nfs/dbraw/zinc/14/48/03/493144803.db2.gz PTVPUALCUUMWIR-UHFFFAOYSA-N 2 0 374.485 0.523 10 0 FCAERP CC1CC[NH+](CCCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627309581 493144826 /nfs/dbraw/zinc/14/48/26/493144826.db2.gz VDEVHKOQDKPFKE-KDURUIRLSA-N 2 0 350.507 0.683 10 0 FCAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627312425 493146852 /nfs/dbraw/zinc/14/68/52/493146852.db2.gz YILMOWHTFFQYLN-QXSJWSMHSA-N 2 0 350.507 0.870 10 0 FCAERP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659102495 493153406 /nfs/dbraw/zinc/15/34/06/493153406.db2.gz DGCSYPGRJPMLNS-DLBZAZTESA-N 2 0 360.458 0.887 10 0 FCAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627334836 493158862 /nfs/dbraw/zinc/15/88/62/493158862.db2.gz BWNMACWSHKAUGK-JJRVBVJISA-N 2 0 359.474 0.590 10 0 FCAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627334857 493158871 /nfs/dbraw/zinc/15/88/71/493158871.db2.gz CNUDSAUYIVAILM-RVKKMQEKSA-N 2 0 373.501 0.980 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[NH2+]1 ZINC000627338761 493161549 /nfs/dbraw/zinc/16/15/49/493161549.db2.gz POJIORKRMUFBRL-ZBFHGGJFSA-N 2 0 362.474 0.500 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cn2)CC1 ZINC000659430054 493174403 /nfs/dbraw/zinc/17/44/03/493174403.db2.gz GZNFIFVOHASNEE-HUUCEWRRSA-N 2 0 350.442 0.414 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C[NH2+]1 ZINC000627357319 493174627 /nfs/dbraw/zinc/17/46/27/493174627.db2.gz CNZWYCAGLOYLMQ-DAXOMENPSA-N 2 0 350.438 0.801 10 0 FCAERP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653828411 493187409 /nfs/dbraw/zinc/18/74/09/493187409.db2.gz NNAFYLIXQJKBAL-BTHPGYMESA-N 2 0 372.513 0.516 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[NH2+]1 ZINC000627381116 493190042 /nfs/dbraw/zinc/19/00/42/493190042.db2.gz IUJRINIXBJGAHM-GDBMZVCRSA-N 2 0 359.474 0.671 10 0 FCAERP CCN(CC[NH3+])C(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000627383026 493192560 /nfs/dbraw/zinc/19/25/60/493192560.db2.gz QCPKPINOPQZCLB-UHFFFAOYSA-N 2 0 364.412 0.715 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000627388294 493195871 /nfs/dbraw/zinc/19/58/71/493195871.db2.gz QXDKMPPGJCKFKM-WBVHZDCISA-N 2 0 362.474 0.118 10 0 FCAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000659370269 493198565 /nfs/dbraw/zinc/19/85/65/493198565.db2.gz VSJSHUDDWUZXRR-NVXWUHKLSA-N 2 0 356.430 0.943 10 0 FCAERP O=C(CN1CCNCC1=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659381389 493199383 /nfs/dbraw/zinc/19/93/83/493199383.db2.gz KLPFAMGKIRHGFW-GOSISDBHSA-N 2 0 370.497 0.837 10 0 FCAERP O=C(C[C@H]1COCC[NH2+]1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659372353 493199461 /nfs/dbraw/zinc/19/94/61/493199461.db2.gz ACAYBLYIHVBOKB-KRWDZBQOSA-N 2 0 358.486 0.836 10 0 FCAERP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627406829 493204988 /nfs/dbraw/zinc/20/49/88/493204988.db2.gz TUYKFZAUUPBUSS-UHFFFAOYSA-N 2 0 354.495 0.204 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000627421738 493211205 /nfs/dbraw/zinc/21/12/05/493211205.db2.gz RMSXUXJERHXCRF-HUUCEWRRSA-N 2 0 354.495 0.332 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000627425323 493213825 /nfs/dbraw/zinc/21/38/25/493213825.db2.gz MAFZOAQYWSWCJC-FVCCEPFGSA-N 2 0 364.412 0.429 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659613986 493220970 /nfs/dbraw/zinc/22/09/70/493220970.db2.gz PUQNXFLLESZKMA-UHFFFAOYSA-N 2 0 354.495 0.507 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639703 493222081 /nfs/dbraw/zinc/22/20/81/493222081.db2.gz FDJXIWUFDKJWIS-HZPDHXFCSA-N 2 0 367.538 0.118 10 0 FCAERP CCc1ccc([C@@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[NH+](C)C)cc1 ZINC000659674066 493244610 /nfs/dbraw/zinc/24/46/10/493244610.db2.gz KJWUHSXLWYJSKE-RYZJOYRSSA-N 2 0 358.486 0.836 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659680916 493248968 /nfs/dbraw/zinc/24/89/68/493248968.db2.gz MQRKWJZSGFPNNT-WWMCIYDGSA-N 2 0 350.507 0.727 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000659683047 493250352 /nfs/dbraw/zinc/25/03/52/493250352.db2.gz SAHZTXQHGQZBEP-JJXSEGSLSA-N 2 0 372.485 0.137 10 0 FCAERP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659686834 493253446 /nfs/dbraw/zinc/25/34/46/493253446.db2.gz KRNMPGSEIQHHOM-UHFFFAOYSA-N 2 0 360.458 0.111 10 0 FCAERP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659689120 493254202 /nfs/dbraw/zinc/25/42/02/493254202.db2.gz SQXHALVWAVZWQD-XPQZIERPSA-N 2 0 370.497 0.535 10 0 FCAERP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000659689607 493255122 /nfs/dbraw/zinc/25/51/22/493255122.db2.gz FVZVQNNKDTYZOL-UHFFFAOYSA-N 2 0 360.458 0.193 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659695343 493257828 /nfs/dbraw/zinc/25/78/28/493257828.db2.gz YUBPVAYEFOVUQB-XTIMDLJNSA-N 2 0 370.497 0.963 10 0 FCAERP C[C@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659696751 493258434 /nfs/dbraw/zinc/25/84/34/493258434.db2.gz MUTZCQQPJHHNHC-TYJOOELLSA-N 2 0 370.497 0.881 10 0 FCAERP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000659706404 493264720 /nfs/dbraw/zinc/26/47/20/493264720.db2.gz KSPYXVMCNBQGJT-IAGOWNOFSA-N 2 0 366.506 0.062 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1F ZINC000659707004 493265377 /nfs/dbraw/zinc/26/53/77/493265377.db2.gz SUPSRWOYEBHEJP-IAGOWNOFSA-N 2 0 362.449 0.665 10 0 FCAERP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659713570 493267729 /nfs/dbraw/zinc/26/77/29/493267729.db2.gz FYTHPEHZRGSHPD-ROUUACIJSA-N 2 0 370.497 0.883 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000659717954 493270637 /nfs/dbraw/zinc/27/06/37/493270637.db2.gz MAVAIGMNLNHSLU-XHSDSOJGSA-N 2 0 354.495 0.189 10 0 FCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659725084 493273662 /nfs/dbraw/zinc/27/36/62/493273662.db2.gz ZOLNOXUUALWZQF-MAUKXSAKSA-N 2 0 373.501 0.524 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000659740119 493280245 /nfs/dbraw/zinc/28/02/45/493280245.db2.gz LBRLMHZZSWCSPM-UHFFFAOYSA-N 2 0 362.518 0.969 10 0 FCAERP C[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1=CC[N@H+](C)CC1 ZINC000682347279 493292683 /nfs/dbraw/zinc/29/26/83/493292683.db2.gz OSLFBTIWFZTKIA-ZDUSSCGKSA-N 2 0 354.414 0.972 10 0 FCAERP CO[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCOC1 ZINC000667680612 493295934 /nfs/dbraw/zinc/29/59/34/493295934.db2.gz LYMIIGMGCSKWCL-SJLPKXTDSA-N 2 0 362.474 0.761 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COCc1nccn1C ZINC000667812479 493303403 /nfs/dbraw/zinc/30/34/03/493303403.db2.gz NWDWDNJIRRZLDX-INIZCTEOSA-N 2 0 351.495 0.811 10 0 FCAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000668513142 493368816 /nfs/dbraw/zinc/36/88/16/493368816.db2.gz YMUJIPNQYDVIIZ-KRWDZBQOSA-N 2 0 368.522 0.452 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)cn1 ZINC000673866401 493369432 /nfs/dbraw/zinc/36/94/32/493369432.db2.gz BRYHFGPLXYVKNC-UHFFFAOYSA-N 2 0 351.499 0.592 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000668538392 493372660 /nfs/dbraw/zinc/37/26/60/493372660.db2.gz ZSFNOMUCPFLJSZ-QGZVFWFLSA-N 2 0 350.507 0.920 10 0 FCAERP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668633649 493387009 /nfs/dbraw/zinc/38/70/09/493387009.db2.gz PWUPJJXDTJBLSF-OAHLLOKOSA-N 2 0 354.495 0.202 10 0 FCAERP CC[NH+]1CCC(CNC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000668636466 493387671 /nfs/dbraw/zinc/38/76/71/493387671.db2.gz USZYFAAPMKVKQZ-KRWDZBQOSA-N 2 0 368.522 0.404 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000668786867 493410416 /nfs/dbraw/zinc/41/04/16/493410416.db2.gz JFUPNCIDEXUDCF-GJZGRUSLSA-N 2 0 354.495 0.202 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000668786852 493410651 /nfs/dbraw/zinc/41/06/51/493410651.db2.gz IZBPBOMDXTYWLP-HUUCEWRRSA-N 2 0 354.495 0.202 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC000668892707 493430230 /nfs/dbraw/zinc/43/02/30/493430230.db2.gz JILMXKIYBAFRLP-PMPSAXMXSA-N 2 0 354.495 0.155 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC000668892704 493430662 /nfs/dbraw/zinc/43/06/62/493430662.db2.gz JILMXKIYBAFRLP-BZUAXINKSA-N 2 0 354.495 0.155 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2[C@H](C)CO)C1 ZINC000661431032 493436785 /nfs/dbraw/zinc/43/67/85/493436785.db2.gz BEGBUJNVVIIVAT-KURKYZTESA-N 2 0 355.523 0.942 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)[C@H](C)C1 ZINC000685310627 493474523 /nfs/dbraw/zinc/47/45/23/493474523.db2.gz XYGVWEVIWCDFGC-ABFRBSLYSA-N 2 0 350.507 0.774 10 0 FCAERP 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RDDXQOXIHXVXEA-HRCADAONSA-N 2 0 352.479 0.607 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2=NO[C@@H](C[NH3+])C2)cc1F ZINC000852906367 671530501 /nfs/dbraw/zinc/53/05/01/671530501.db2.gz BRDZINLQRJSIHY-XUJVJEKNSA-N 2 0 350.394 0.500 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000853683129 671554164 /nfs/dbraw/zinc/55/41/64/671554164.db2.gz NCJJDXWKRKPJDD-ULQDDVLXSA-N 2 0 355.527 0.421 10 0 FCAERP CCOC(=O)C1([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)CC[NH2+]CC1 ZINC000854224441 671570173 /nfs/dbraw/zinc/57/01/73/671570173.db2.gz XAFQOCVUYQDFOX-LLVKDONJSA-N 2 0 374.425 0.875 10 0 FCAERP CCOC(=O)C1([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)CC[NH2+]CC1 ZINC000854224442 671570192 /nfs/dbraw/zinc/57/01/92/671570192.db2.gz XAFQOCVUYQDFOX-NSHDSACASA-N 2 0 374.425 0.875 10 0 FCAERP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1CC[NH3+] ZINC000903494708 675933580 /nfs/dbraw/zinc/93/35/80/675933580.db2.gz LRFOQBWGVUHFEB-ZIAGYGMSSA-N 2 0 368.503 0.792 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903581688 675949223 /nfs/dbraw/zinc/94/92/23/675949223.db2.gz SKTHXVBETGIJSK-OLZOCXBDSA-N 2 0 372.457 0.165 10 0 FCAERP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903719209 675963587 /nfs/dbraw/zinc/96/35/87/675963587.db2.gz IYKVTJPRQAVHMV-QJPTWQEYSA-N 2 0 350.385 0.277 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[C@H]1C(F)(F)F ZINC000903747807 675967205 /nfs/dbraw/zinc/96/72/05/675967205.db2.gz SSEFBWGRPKPJQH-JHJVBQTASA-N 2 0 362.396 0.279 10 0 FCAERP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903754129 675967984 /nfs/dbraw/zinc/96/79/84/675967984.db2.gz ARZVWCGIDPAMAH-CHWSQXEVSA-N 2 0 364.412 0.669 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903766777 675970613 /nfs/dbraw/zinc/97/06/13/675970613.db2.gz HHHVDEIXRFCEKD-SRVKXCTJSA-N 2 0 350.385 0.277 10 0 FCAERP Cc1ccc(S(N)(=O)=O)c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000866009994 672260002 /nfs/dbraw/zinc/26/00/02/672260002.db2.gz CLUZOPPYJGADJZ-HUUCEWRRSA-N 2 0 354.520 0.818 10 0 FCAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](CCOCC(F)(F)C(F)F)C1 ZINC000866711433 672291172 /nfs/dbraw/zinc/29/11/72/672291172.db2.gz KVKIKYRETCYLGT-AXFHLTTASA-N 2 0 355.332 0.770 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866822196 672313238 /nfs/dbraw/zinc/31/32/38/672313238.db2.gz AIDSYEDKLOPJJP-LSDHHAIUSA-N 2 0 355.508 0.577 10 0 FCAERP CCOc1ccncc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867590704 672343775 /nfs/dbraw/zinc/34/37/75/672343775.db2.gz RXRZHJZXDHFXIR-HUUCEWRRSA-N 2 0 370.519 0.840 10 0 FCAERP C[C@H]1[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H]1C ZINC000867605487 672347108 /nfs/dbraw/zinc/34/71/08/672347108.db2.gz VTSDAPMDPWVKPA-WRQOLXDDSA-N 2 0 352.523 0.687 10 0 FCAERP C[NH+](C)C1(C)CCC(NS(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000867742154 672360940 /nfs/dbraw/zinc/36/09/40/672360940.db2.gz BPPGSXCHCUCBKR-UHFFFAOYSA-N 2 0 360.568 0.806 10 0 FCAERP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@](C[NH3+])(C(C)(C)C)C3)C2)C1 ZINC000868411210 672399186 /nfs/dbraw/zinc/39/91/86/672399186.db2.gz NPTWFDJKFUKLRU-MOPGFXCFSA-N 2 0 350.507 0.764 10 0 FCAERP CCOC(=O)[C@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)=O ZINC000870018894 672461745 /nfs/dbraw/zinc/46/17/45/672461745.db2.gz ZBIYCDVJRUXIDG-BZUAXINKSA-N 2 0 355.479 0.343 10 0 FCAERP CCCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022964 672462107 /nfs/dbraw/zinc/46/21/07/672462107.db2.gz GGHMSDIUZFSHTB-ZACQAIPSSA-N 2 0 352.523 0.975 10 0 FCAERP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997309 672524381 /nfs/dbraw/zinc/52/43/81/672524381.db2.gz RHSKCIAKCPUIBP-XQQFMLRXSA-N 2 0 362.455 0.401 10 0 FCAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000872146431 672594711 /nfs/dbraw/zinc/59/47/11/672594711.db2.gz NIBQCRNMRFOOKF-XUWVNRHRSA-N 2 0 351.447 0.439 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872186788 672596924 /nfs/dbraw/zinc/59/69/24/672596924.db2.gz NXRMAKZTRRZQMK-QFBILLFUSA-N 2 0 350.507 0.635 10 0 FCAERP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872186279 672596947 /nfs/dbraw/zinc/59/69/47/672596947.db2.gz JXQSZNZNQPBBCW-CHWSQXEVSA-N 2 0 366.428 0.628 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872188738 672597959 /nfs/dbraw/zinc/59/79/59/672597959.db2.gz BPQDMJWRWHLUIW-NDBYEHHHSA-N 2 0 364.412 0.381 10 0 FCAERP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872192209 672600202 /nfs/dbraw/zinc/60/02/02/672600202.db2.gz SWSOPYIXGOSIAE-NWDGAFQWSA-N 2 0 352.401 0.381 10 0 FCAERP 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COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)[C@H]2CCC[NH2+]C2)cc1F ZINC000923655794 673001608 /nfs/dbraw/zinc/00/16/08/673001608.db2.gz UTDNQPDRYNZUJK-DZKIICNBSA-N 2 0 371.478 0.951 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923703633 673735781 /nfs/dbraw/zinc/73/57/81/673735781.db2.gz RQLZLLQIZVUTMO-SWLSCSKDSA-N 2 0 357.524 0.667 10 0 FCAERP COC(=O)CC(C)(C)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000925002607 673773661 /nfs/dbraw/zinc/77/36/61/673773661.db2.gz QIWKLWWCEIZGHH-HUUCEWRRSA-N 2 0 356.511 0.957 10 0 FCAERP O=S(=O)(Cc1ccon1)NCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925543800 673793959 /nfs/dbraw/zinc/79/39/59/673793959.db2.gz WLGYMVUWIHOSOF-HZPDHXFCSA-N 2 0 356.492 0.852 10 0 FCAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)CC[NH2+]CC1 ZINC000925826954 673805044 /nfs/dbraw/zinc/80/50/44/673805044.db2.gz QTVAPVZWHWNAFK-UKRRQHHQSA-N 2 0 362.492 0.101 10 0 FCAERP CCO[C@H](CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)C[NH+](C)C 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/nfs/dbraw/zinc/94/82/06/673948206.db2.gz UXZWCSPKIWQTSC-INIZCTEOSA-N 2 0 354.495 0.709 10 0 FCAERP C[C@H](CNC(=O)CN1CCC[C@@H]([NH+](C)C)C1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000929489263 673959236 /nfs/dbraw/zinc/95/92/36/673959236.db2.gz YZTWUBOQKZRBBH-KZNAEPCWSA-N 2 0 353.555 0.543 10 0 FCAERP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000929866910 673981446 /nfs/dbraw/zinc/98/14/46/673981446.db2.gz JHWRSCYXJANXJK-GJZGRUSLSA-N 2 0 356.536 0.531 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900482068 675687005 /nfs/dbraw/zinc/68/70/05/675687005.db2.gz YSYGPUBBVSVHMG-HKUYNNGSSA-N 3 0 354.539 0.708 10 0 FCAERP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000900907760 675728371 /nfs/dbraw/zinc/72/83/71/675728371.db2.gz DEEFDFOAWPJTAM-LJQANCHMSA-N 2 0 353.507 0.937 10 0 FCAERP CC[C@@H](CO)[NH+]1CCN(C(=O)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000901148038 675764161 /nfs/dbraw/zinc/76/41/61/675764161.db2.gz XMDOQZBKZSNTJI-SFHVURJKSA-N 2 0 354.539 0.708 10 0 FCAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)COC1CC[NH+](C)CC1 ZINC001746157864 1192240594 /nfs/dbraw/zinc/24/05/94/1192240594.db2.gz KQTSMNYFBYTRMO-BFYDXBDKSA-N 2 0 368.522 0.448 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000122064205 1169258642 /nfs/dbraw/zinc/25/86/42/1169258642.db2.gz BYVZQWQKYUYORM-GDBMZVCRSA-N 2 0 362.478 0.326 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)N2CCOCC2)C2CC2)CC[N@@H+]1C ZINC001670474658 1169356521 /nfs/dbraw/zinc/35/65/21/1169356521.db2.gz ICAOUWYSCQWXHB-GVDBMIGSSA-N 2 0 366.506 0.060 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCN1c1cc[nH+]cc1 ZINC000898070561 1192856986 /nfs/dbraw/zinc/85/69/86/1192856986.db2.gz SLCAXVBPYWJIIP-IAGOWNOFSA-N 2 0 373.501 0.967 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)[C@@H]1c1ccccc1 ZINC000842030986 1192859055 /nfs/dbraw/zinc/85/90/55/1192859055.db2.gz DINBGXZTOQCPMV-ZWOKBUDYSA-N 2 0 356.470 0.903 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001267293499 1179343132 /nfs/dbraw/zinc/34/31/32/1179343132.db2.gz UAXKFNLNIDSDDG-BZUAXINKSA-N 2 0 367.538 0.862 10 0 FCAERP C[NH+](C)CCCCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001719689793 1179405977 /nfs/dbraw/zinc/40/59/77/1179405977.db2.gz UOYFWKZWFIVIOL-ABSDTBQOSA-N 2 0 364.534 0.977 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@]2(C)C1 ZINC001719689812 1179406714 /nfs/dbraw/zinc/40/67/14/1179406714.db2.gz VDFIXOKLGFZOOS-UXPWSPDFSA-N 2 0 362.518 0.731 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000128523281 1180141063 /nfs/dbraw/zinc/14/10/63/1180141063.db2.gz UHSQSJLORXFJMG-HOCLYGCPSA-N 2 0 362.478 0.326 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)NCC[NH+](C)C ZINC000134074432 1181855746 /nfs/dbraw/zinc/85/57/46/1181855746.db2.gz UHEHHWNUCLGZNM-SJORKVTESA-N 2 0 367.538 0.862 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)C[C@@H]21 ZINC000659074478 1181988369 /nfs/dbraw/zinc/98/83/69/1181988369.db2.gz JAQZEPXQPJSXEJ-PVAVHDDUSA-N 2 0 358.442 0.449 10 0 FCAERP CCO[C@H](CNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)C[NH+](C)C ZINC000926833753 1182427975 /nfs/dbraw/zinc/42/79/75/1182427975.db2.gz QZIKZDFATQKKEJ-MRXNPFEDSA-N 2 0 371.526 0.149 10 0 FCAERP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001481498392 1186186320 /nfs/dbraw/zinc/18/63/20/1186186320.db2.gz ODFGVLPCUDKKFL-NXHRZFHOSA-N 2 0 358.486 0.597 10 0 FCAERP CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001719847361 1186354313 /nfs/dbraw/zinc/35/43/13/1186354313.db2.gz LVUWMWHBCZNWND-YVSFHVDLSA-N 2 0 350.507 0.918 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001481726013 1187470883 /nfs/dbraw/zinc/47/08/83/1187470883.db2.gz CEDYHVXJSBHQGC-HRCADAONSA-N 2 0 359.536 0.684 10 0 FCAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC(=O)Nc1nncs1 ZINC001481814233 1187539810 /nfs/dbraw/zinc/53/98/10/1187539810.db2.gz RTWHHUNHHAGGCG-RWMBFGLXSA-N 2 0 368.507 0.691 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1C ZINC000937298249 1187623241 /nfs/dbraw/zinc/62/32/41/1187623241.db2.gz FMJUOOSILOKTSE-LTIDMASMSA-N 2 0 360.502 0.767 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001268793002 1187781517 /nfs/dbraw/zinc/78/15/17/1187781517.db2.gz GEFJGJYDOORLAN-LSDHHAIUSA-N 2 0 367.494 0.143 10 0 FCAERP COCCOc1cc2c(cc1C[N@@H+]1CC[C@H](N3CC[NH2+]CC3)C1)OCO2 ZINC000262096522 1188356207 /nfs/dbraw/zinc/35/62/07/1188356207.db2.gz HYSWPZQVCXEJCI-INIZCTEOSA-N 2 0 363.458 0.920 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000550554684 1189840023 /nfs/dbraw/zinc/84/00/23/1189840023.db2.gz PCZBSUAQKHAAEE-UHFFFAOYSA-N 2 0 361.490 0.572 10 0 FCAERP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1 ZINC000896210402 1190007404 /nfs/dbraw/zinc/00/74/04/1190007404.db2.gz MQCNMFCVWJTRAJ-GOSISDBHSA-N 2 0 374.485 0.315 10 0 FCAERP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897355725 1190782955 /nfs/dbraw/zinc/78/29/55/1190782955.db2.gz CJCMRSAEEFCAIT-MOPGFXCFSA-N 2 0 359.470 0.590 10 0 FCAERP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000550786006 1193795067 /nfs/dbraw/zinc/79/50/67/1193795067.db2.gz XVZFDAOBITYJGQ-UHFFFAOYSA-N 2 0 368.522 0.452 10 0 FCAERP CC(C)(CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000551165717 1193838286 /nfs/dbraw/zinc/83/82/86/1193838286.db2.gz XGRRQVXTTBKOEM-UHFFFAOYSA-N 2 0 368.522 0.596 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000552939756 1193959669 /nfs/dbraw/zinc/95/96/69/1193959669.db2.gz WPYYLWBNXCXOOX-JKSUJKDBSA-N 2 0 368.522 0.450 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000552939662 1193959999 /nfs/dbraw/zinc/95/99/99/1193959999.db2.gz SWOBVNLRVXOBJK-DLBZAZTESA-N 2 0 368.522 0.308 10 0 FCAERP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000553733978 1194017233 /nfs/dbraw/zinc/01/72/33/1194017233.db2.gz UDJYATCXHCDAHF-QGZVFWFLSA-N 2 0 366.506 0.158 10 0 FCAERP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC([C@]3(C)COC(=O)N3)CC2)C1=O ZINC000905028631 1195573567 /nfs/dbraw/zinc/57/35/67/1195573567.db2.gz PWCJJDLXSFQMFP-KDOFPFPSSA-N 2 0 366.462 0.276 10 0 FCAERP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC([C@]3(C)COC(=O)N3)CC2)C1=O ZINC000905028633 1195573696 /nfs/dbraw/zinc/57/36/96/1195573696.db2.gz PWCJJDLXSFQMFP-KSSFIOAISA-N 2 0 366.462 0.276 10 0 FCAERP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ccnn3CC[NH+](C)C)CC2)CC1 ZINC000907385203 1195692141 /nfs/dbraw/zinc/69/21/41/1195692141.db2.gz OOHWJUQGDOEOCF-CALCHBBNSA-N 2 0 362.522 0.733 10 0 FCAERP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000908156603 1195724306 /nfs/dbraw/zinc/72/43/06/1195724306.db2.gz OZRGXFLNECEPRT-IBGZPJMESA-N 2 0 368.522 0.282 10 0 FCAERP C/C(=C\C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)CN1CCOCC1 ZINC000908185116 1195730309 /nfs/dbraw/zinc/73/03/09/1195730309.db2.gz GGPLMYAVDSOQKV-VOGRQWBCSA-N 2 0 364.490 0.076 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2coc3c2C(=O)NCCC3)C[C@H]1C[NH+](C)C ZINC000913436077 1196430794 /nfs/dbraw/zinc/43/07/94/1196430794.db2.gz BZBRZNAZJZAORJ-ZIAGYGMSSA-N 2 0 362.474 0.767 10 0 FCAERP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000914017685 1197202045 /nfs/dbraw/zinc/20/20/45/1197202045.db2.gz IZUCWLIYGGTIFU-GOSISDBHSA-N 2 0 367.538 0.565 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000819246611 1203152858 /nfs/dbraw/zinc/15/28/58/1203152858.db2.gz NWFUGEZSAWIDHK-IAGOWNOFSA-N 2 0 370.538 0.974 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000819368821 1203156285 /nfs/dbraw/zinc/15/62/85/1203156285.db2.gz RGJIZNCCSUDEKE-SFHVURJKSA-N 2 0 362.474 0.205 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000820075423 1203179556 /nfs/dbraw/zinc/17/95/56/1203179556.db2.gz WSRKPRMSPYGSQI-BZSNNMDCSA-N 2 0 369.554 0.499 10 0 FCAERP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000867403488 1208465114 /nfs/dbraw/zinc/46/51/14/1208465114.db2.gz ZAQGTUMFUUIPAU-VQHPVUNQSA-N 2 0 368.522 0.210 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867421204 1208472653 /nfs/dbraw/zinc/47/26/53/1208472653.db2.gz QWMCVYVDPDWUPH-IKGGRYGDSA-N 2 0 366.506 0.108 10 0 FCAERP COCCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001488539460 1208532212 /nfs/dbraw/zinc/53/22/12/1208532212.db2.gz HNFHYTZWWBQYNR-BRWVUGGUSA-N 2 0 368.522 0.260 10 0 FCAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001488960382 1208574221 /nfs/dbraw/zinc/57/42/21/1208574221.db2.gz IMISKWMIQFWIQK-YESZJQIVSA-N 2 0 350.507 0.825 10 0 FCAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)C1 ZINC001488955530 1208584477 /nfs/dbraw/zinc/58/44/77/1208584477.db2.gz QOZHWRFSYWIWGV-SOUVJXGZSA-N 2 0 361.494 0.724 10 0 FCAERP CC(C)CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001488962380 1208588411 /nfs/dbraw/zinc/58/84/11/1208588411.db2.gz ZZLWIXZMWGTLRK-JKSUJKDBSA-N 2 0 350.507 0.729 10 0 FCAERP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001489016103 1208607870 /nfs/dbraw/zinc/60/78/70/1208607870.db2.gz IPYVOTGFRIRFQS-IAGOWNOFSA-N 2 0 368.522 0.260 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+][C@H](C)C(=O)NC ZINC001489017387 1208608431 /nfs/dbraw/zinc/60/84/31/1208608431.db2.gz OVVHFWSLCPAZRQ-BRWVUGGUSA-N 2 0 368.522 0.306 10 0 FCAERP CCO[C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001489023204 1208610412 /nfs/dbraw/zinc/61/04/12/1208610412.db2.gz YOFIKGVQDMZLAY-HZPDHXFCSA-N 2 0 365.478 0.169 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCC2(CNC(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC001489072757 1208620295 /nfs/dbraw/zinc/62/02/95/1208620295.db2.gz JSCWACAPRRVMOF-HZPDHXFCSA-N 2 0 350.507 0.825 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001489208296 1208672495 /nfs/dbraw/zinc/67/24/95/1208672495.db2.gz QGKKJMGHFFLUCS-CVEARBPZSA-N 2 0 351.495 0.132 10 0 FCAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)[C@@H]1C)[NH+](C)C ZINC001489273618 1208750996 /nfs/dbraw/zinc/75/09/96/1208750996.db2.gz DZBDULCTEJGLLU-QLFBSQMISA-N 2 0 362.540 0.187 10 0 FCAERP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001489276274 1208753320 /nfs/dbraw/zinc/75/33/20/1208753320.db2.gz ZGWVUEQXOPEXKP-KBMXLJTQSA-N 2 0 359.430 0.467 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001489655871 1209042415 /nfs/dbraw/zinc/04/24/15/1209042415.db2.gz RQCXJPAANRPHHN-NVXWUHKLSA-N 2 0 350.507 0.870 10 0 FCAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001489894481 1209115749 /nfs/dbraw/zinc/11/57/49/1209115749.db2.gz NFWFKPZQKYQVTO-BBWFWOEESA-N 2 0 368.522 0.450 10 0 FCAERP CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)[C@H]1C ZINC001490118063 1209242205 /nfs/dbraw/zinc/24/22/05/1209242205.db2.gz WBDKWCDZYMYAAB-GJYPPUQNSA-N 2 0 350.507 0.920 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001490307240 1209303945 /nfs/dbraw/zinc/30/39/45/1209303945.db2.gz LJCHGEGAJWNGDQ-NXHRZFHOSA-N 2 0 364.534 0.879 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C[NH+](C)C)CC1 ZINC001490614527 1209389659 /nfs/dbraw/zinc/38/96/59/1209389659.db2.gz IKOQIYPSXFAPOS-PMPSAXMXSA-N 2 0 350.507 0.918 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001490714859 1209411449 /nfs/dbraw/zinc/41/14/49/1209411449.db2.gz DAYJHICUAJMZOO-NCOADZHNSA-N 2 0 350.507 0.917 10 0 FCAERP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000851678925 1209509371 /nfs/dbraw/zinc/50/93/71/1209509371.db2.gz OFPSDOVWBIUABO-QRVBRYPASA-N 2 0 357.502 0.806 10 0 FCAERP C[N@H+](CCN1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1)Cc1ccccc1 ZINC000852867260 1209569223 /nfs/dbraw/zinc/56/92/23/1209569223.db2.gz SJSIMDIXTMDZTQ-QGZVFWFLSA-N 2 0 359.474 0.366 10 0 FCAERP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000852864383 1209569332 /nfs/dbraw/zinc/56/93/32/1209569332.db2.gz UMAGNLGYFMWJNJ-MRXNPFEDSA-N 2 0 373.457 0.469 10 0 FCAERP [NH3+]C[C@@H]1CC(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)=NO1 ZINC000852873311 1209571485 /nfs/dbraw/zinc/57/14/85/1209571485.db2.gz RKDZIMSWCITKOI-KRWDZBQOSA-N 2 0 359.474 0.414 10 0 FCAERP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1C[C@]34COC[C@@]3(C1)CCCC4)C2=O ZINC000853622792 1209601719 /nfs/dbraw/zinc/60/17/19/1209601719.db2.gz BFGPSQDUFCDFOZ-HDICACEKSA-N 2 0 362.474 0.853 10 0 FCAERP CCNC(=O)NC(=O)CN1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856593949 1209716646 /nfs/dbraw/zinc/71/66/46/1209716646.db2.gz BYFKALQKFNWBJN-MRXNPFEDSA-N 2 0 363.462 0.832 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC[N@@H+]1C ZINC000861592199 1209872202 /nfs/dbraw/zinc/87/22/02/1209872202.db2.gz HRRMRRJDIMQBRE-CLWVCHIJSA-N 2 0 365.478 0.436 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000863769180 1209951211 /nfs/dbraw/zinc/95/12/11/1209951211.db2.gz AVGSZLCKISJKDR-MRXNPFEDSA-N 2 0 366.506 0.287 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000864607721 1209961029 /nfs/dbraw/zinc/96/10/29/1209961029.db2.gz AQWYCFMDNDLIOA-HNNXBMFYSA-N 2 0 371.526 0.147 10 0 FCAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCOCCOc2ccccc2)C1 ZINC000866708426 1210002841 /nfs/dbraw/zinc/00/28/41/1210002841.db2.gz FBQOAZYYLRLUDF-RYQLBKOJSA-N 2 0 361.442 0.949 10 0 FCAERP CC[C@@]1(C)CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000867519581 1210011011 /nfs/dbraw/zinc/01/10/11/1210011011.db2.gz FDMVVRRNVZYWGR-MDZRGWNJSA-N 2 0 368.522 0.212 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)CC[C@@H]21 ZINC000867572248 1210014516 /nfs/dbraw/zinc/01/45/16/1210014516.db2.gz PNOXYMHSESQNAK-KURKYZTESA-N 2 0 362.518 0.729 10 0 FCAERP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H](C)CO1 ZINC000867625335 1210018512 /nfs/dbraw/zinc/01/85/12/1210018512.db2.gz ZLPXCKAQGZWXNH-YLFCFFPRSA-N 2 0 368.522 0.210 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCO1 ZINC000867639811 1210019762 /nfs/dbraw/zinc/01/97/62/1210019762.db2.gz DDPFPORSEMUVHK-BRWVUGGUSA-N 2 0 366.506 0.108 10 0 FCAERP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[NH+](C)C(C)(C)CC2)CC1 ZINC000867742587 1210028106 /nfs/dbraw/zinc/02/81/06/1210028106.db2.gz QMTTXCVSTYMSEZ-UHFFFAOYSA-N 2 0 368.522 0.234 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000867848751 1210033886 /nfs/dbraw/zinc/03/38/86/1210033886.db2.gz URQKFEMGBZBRAE-KSSFIOAISA-N 2 0 372.510 0.356 10 0 FCAERP CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868224281 1210044145 /nfs/dbraw/zinc/04/41/45/1210044145.db2.gz FHEGLNHIRUDYSW-JCGIZDLHSA-N 2 0 373.501 0.582 10 0 FCAERP CNc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000868263813 1210048242 /nfs/dbraw/zinc/04/82/42/1210048242.db2.gz WTOGODNDKYKUCY-HUUCEWRRSA-N 2 0 361.490 0.865 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)CC[C@H]21 ZINC000868390855 1210061074 /nfs/dbraw/zinc/06/10/74/1210061074.db2.gz BJLQBJUCPZBCHM-DZJNRPSUSA-N 2 0 374.460 0.631 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)CC[C@H]21 ZINC000868392061 1210061617 /nfs/dbraw/zinc/06/16/17/1210061617.db2.gz QVZRKIMHDYXEOE-OXXUSNJHSA-N 2 0 374.460 0.631 10 0 FCAERP [NH3+]C[C@@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccc(F)cc1 ZINC000870997601 1210125586 /nfs/dbraw/zinc/12/55/86/1210125586.db2.gz PBQOVXCXVZLJDZ-JJXSEGSLSA-N 2 0 362.405 0.262 10 0 FCAERP CN(C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000872186241 1210174883 /nfs/dbraw/zinc/17/48/83/1210174883.db2.gz JDWJGPPYHNBFDV-WAOWUJCRSA-N 2 0 370.497 0.787 10 0 FCAERP CN(CCCCCC[NH3+])C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000872189546 1210176070 /nfs/dbraw/zinc/17/60/70/1210176070.db2.gz HSTUUAXDEOWBBY-KRWDZBQOSA-N 2 0 367.538 0.202 10 0 FCAERP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)C2 ZINC000872192323 1210177195 /nfs/dbraw/zinc/17/71/95/1210177195.db2.gz GONSVSOZTMKBKK-DOHHPOSVSA-N 2 0 360.502 0.530 10 0 FCAERP O=C(NC1CC1)c1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872255235 1210183251 /nfs/dbraw/zinc/18/32/51/1210183251.db2.gz RYFFDHYKRNVVJK-KURKYZTESA-N 2 0 370.453 0.946 10 0 FCAERP [NH3+]C1(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)Cc2ccccc2C1 ZINC000872264627 1210184516 /nfs/dbraw/zinc/18/45/16/1210184516.db2.gz WVASZAHTPBAVPV-SJORKVTESA-N 2 0 370.453 0.266 10 0 FCAERP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872264039 1210184899 /nfs/dbraw/zinc/18/48/99/1210184899.db2.gz ITDVDXDXCSDZGJ-CMZRPVNOSA-N 2 0 362.474 0.691 10 0 FCAERP CC(C)[C@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCCCC1 ZINC000872304486 1210188628 /nfs/dbraw/zinc/18/86/28/1210188628.db2.gz XNVVIPZWYQCNNF-WCXIOVBPSA-N 2 0 364.490 0.890 10 0 FCAERP C[NH2+]CCc1ccccc1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872305392 1210189604 /nfs/dbraw/zinc/18/96/04/1210189604.db2.gz JTQSMYHHMYBICX-OIISXLGYSA-N 2 0 358.442 0.456 10 0 FCAERP C[C@H](C[N@H+](C)CCc1nnn(C(C)(C)C)n1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275561101 1211257589 /nfs/dbraw/zinc/25/75/89/1211257589.db2.gz WEXNETJRTPCTCO-RBSFLKMASA-N 2 0 365.526 0.747 10 0 FCAERP CC1=CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000545858984 1211424113 /nfs/dbraw/zinc/42/41/13/1211424113.db2.gz MMGDLWDRTXZATG-KRWDZBQOSA-N 2 0 365.522 0.880 10 0 FCAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC[NH2+]CC1 ZINC000925850788 1211509075 /nfs/dbraw/zinc/50/90/75/1211509075.db2.gz WQEAVTVDRWVKPL-GJZGRUSLSA-N 3 0 367.490 0.583 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926308015 1211528697 /nfs/dbraw/zinc/52/86/97/1211528697.db2.gz LBXZVQTUGSBOFP-HOTGVXAUSA-N 2 0 366.506 0.143 10 0 FCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926347119 1211536112 /nfs/dbraw/zinc/53/61/12/1211536112.db2.gz MPXFKPROZUAKDG-LJQANCHMSA-N 2 0 362.474 0.914 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000926352141 1211538233 /nfs/dbraw/zinc/53/82/33/1211538233.db2.gz NAFQRORABZJBPJ-HZPDHXFCSA-N 2 0 366.506 0.143 10 0 FCAERP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926358226 1211538907 /nfs/dbraw/zinc/53/89/07/1211538907.db2.gz NRDURUIUXNTPTM-MRXNPFEDSA-N 2 0 368.522 0.533 10 0 FCAERP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000926375853 1211541299 /nfs/dbraw/zinc/54/12/99/1211541299.db2.gz XEDZOFMZEJXLEZ-JKSUJKDBSA-N 2 0 366.506 0.332 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[C@H]1C[NH3+] ZINC000926375759 1211541484 /nfs/dbraw/zinc/54/14/84/1211541484.db2.gz UYOTUFLNTGKKCA-ULQDDVLXSA-N 2 0 366.506 0.001 10 0 FCAERP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000926590886 1211551332 /nfs/dbraw/zinc/55/13/32/1211551332.db2.gz HWYAQQJFSSDGSU-GOSISDBHSA-N 2 0 373.497 0.898 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2cc[nH]c2CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000928429507 1211602415 /nfs/dbraw/zinc/60/24/15/1211602415.db2.gz WVXGTBNXAJUGBV-RRCSTGOVSA-N 2 0 361.490 0.588 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000929230605 1211624616 /nfs/dbraw/zinc/62/46/16/1211624616.db2.gz ZPBMKCODRFSUFY-INIZCTEOSA-N 2 0 366.506 0.156 10 0 FCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929405217 1211636981 /nfs/dbraw/zinc/63/69/81/1211636981.db2.gz RHWGAGWVMDBOCN-ZACQAIPSSA-N 2 0 366.506 0.035 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)C[NH+](C)C ZINC000929638408 1211652126 /nfs/dbraw/zinc/65/21/26/1211652126.db2.gz JQKZKRCPNULEQA-MDZRGWNJSA-N 2 0 370.538 0.696 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)C[NH+](C)C ZINC000929638406 1211652218 /nfs/dbraw/zinc/65/22/18/1211652218.db2.gz JQKZKRCPNULEQA-FRQCXROJSA-N 2 0 370.538 0.696 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000929954188 1211675317 /nfs/dbraw/zinc/67/53/17/1211675317.db2.gz FVZPEUVBVFKDGI-SJORKVTESA-N 2 0 366.506 0.347 10 0 FCAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000930201813 1211695719 /nfs/dbraw/zinc/69/57/19/1211695719.db2.gz HVRVKOPUHTVYPA-BRWVUGGUSA-N 2 0 366.506 0.035 10 0 FCAERP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000930366165 1211705420 /nfs/dbraw/zinc/70/54/20/1211705420.db2.gz FLRFADRPEFUREX-RGCFKVTRSA-N 2 0 374.529 0.824 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000930932551 1211728985 /nfs/dbraw/zinc/72/89/85/1211728985.db2.gz IVWVDHXJJQEEHL-SJORKVTESA-N 2 0 368.522 0.138 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)C[NH+](C)C ZINC000931061622 1211738134 /nfs/dbraw/zinc/73/81/34/1211738134.db2.gz JKLQJLKZPYKBNZ-DLBZAZTESA-N 2 0 368.522 0.593 10 0 FCAERP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000900703733 1218027441 /nfs/dbraw/zinc/02/74/41/1218027441.db2.gz OJUVGUJYDWQWCO-UYAOXDASSA-N 2 0 361.486 0.715 10 0 FCAERP C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000901069350 1218074019 /nfs/dbraw/zinc/07/40/19/1218074019.db2.gz YARKLLAJKMTFEB-QUCCMNQESA-N 2 0 361.486 0.369 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H]1CCCN(c3cnn(C)c3)C1=O)C2 ZINC000903493251 1218426207 /nfs/dbraw/zinc/42/62/07/1218426207.db2.gz QSUSDFRZEKAPLF-OJIVJNGMSA-N 2 0 361.446 0.128 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(=O)n3cc(C)ccc3n1)C2 ZINC000903491099 1218426382 /nfs/dbraw/zinc/42/63/82/1218426382.db2.gz UZVHNQFAOOLFRS-KSMMKXTCSA-N 2 0 356.426 0.715 10 0 FCAERP CN(C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000903719452 1218506981 /nfs/dbraw/zinc/50/69/81/1218506981.db2.gz LNSWPFWJKBGEIP-IAGOWNOFSA-N 2 0 358.486 0.915 10 0 FCAERP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000903786821 1218525772 /nfs/dbraw/zinc/52/57/72/1218525772.db2.gz DMCKFQGIERTRJS-RDJZCZTQSA-N 2 0 359.474 0.719 10 0 FCAERP COCCCNC(=O)C1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903886560 1218560688 /nfs/dbraw/zinc/56/06/88/1218560688.db2.gz QVAJYKADPBOGKY-INIZCTEOSA-N 2 0 365.522 0.711 10 0 FCAERP CC(C)NC(=O)NCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001491107062 1220085160 /nfs/dbraw/zinc/08/51/60/1220085160.db2.gz CSUMZXGGSFJTAE-IXDOHACOSA-N 2 0 367.538 0.862 10 0 FCAERP C[N@@H+]1C[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001491174363 1220090744 /nfs/dbraw/zinc/09/07/44/1220090744.db2.gz YEUOPKFOFCOWNL-NXHRZFHOSA-N 2 0 358.486 0.645 10 0 FCAERP C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C[C@@H]1F ZINC001117141082 1221478879 /nfs/dbraw/zinc/47/88/79/1221478879.db2.gz PEFYDGVGZNXFCD-YOEHRIQHSA-N 2 0 368.497 0.868 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001118089903 1221708154 /nfs/dbraw/zinc/70/81/54/1221708154.db2.gz BVIZZCCMUKLIEN-OALUTQOASA-N 2 0 360.502 0.233 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001118313530 1221756661 /nfs/dbraw/zinc/75/66/61/1221756661.db2.gz NNSYFPLJQKIJRV-MRXNPFEDSA-N 2 0 368.522 0.897 10 0 FCAERP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001118580322 1221803450 /nfs/dbraw/zinc/80/34/50/1221803450.db2.gz BAYRXXQFJBWVFG-KRWDZBQOSA-N 2 0 366.506 0.035 10 0 FCAERP C[NH2+]C[C@@H](C)CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001118751258 1221827591 /nfs/dbraw/zinc/82/75/91/1221827591.db2.gz XMRDWYYPQCILOZ-CABCVRRESA-N 2 0 363.510 0.564 10 0 FCAERP CC(=O)N(C(=O)C(=O)N(C)CCC[NH+](C)C)c1cccc2c1C[NH2+]CC2 ZINC001118957652 1221850569 /nfs/dbraw/zinc/85/05/69/1221850569.db2.gz AZSQXKXJONUJPV-UHFFFAOYSA-N 2 0 360.458 0.622 10 0 FCAERP CC(=O)N(C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc2c1C[NH2+]CC2 ZINC001119022585 1221857194 /nfs/dbraw/zinc/85/71/94/1221857194.db2.gz AFBQGQXAHIWFAP-FZNQNYSPSA-N 2 0 372.469 0.668 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1cccc2c1C[NH2+]CC2 ZINC001119037388 1221859480 /nfs/dbraw/zinc/85/94/80/1221859480.db2.gz RYQLOHHUUBKTAW-BETUJISGSA-N 2 0 358.442 0.421 10 0 FCAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCC(=O)NCC[NH+]3CCCCCC3)[C@H]2C1 ZINC001123650843 1222347356 /nfs/dbraw/zinc/34/73/56/1222347356.db2.gz XZJONERPMJSDII-ULQDDVLXSA-N 2 0 365.522 0.618 10 0 FCAERP C[NH+]1C[C@@H]2[C@H](NC(=O)[C@H](F)C(=O)N[C@H]3CC[C@H]4C[N@@H+](C)C[C@H]43)CC[C@@H]2C1 ZINC001124106663 1222381172 /nfs/dbraw/zinc/38/11/72/1222381172.db2.gz HZPNABSICVVCCV-RAAKFAEASA-N 2 0 366.481 0.237 10 0 FCAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000828284801 1222399606 /nfs/dbraw/zinc/39/96/06/1222399606.db2.gz SARHBVJFRDKELY-OIISXLGYSA-N 2 0 366.506 0.033 10 0 FCAERP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000841298231 1222817982 /nfs/dbraw/zinc/81/79/82/1222817982.db2.gz YASYMWRMKKXXEI-OAHLLOKOSA-N 2 0 359.474 0.635 10 0 FCAERP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@@H]2CCC[NH+]2CCCO)cn1 ZINC000849596469 1245405122 /nfs/dbraw/zinc/40/51/22/1245405122.db2.gz AGZIMXTXLMRBKX-BZSNNMDCSA-N 2 0 363.506 0.418 10 0 FCAERP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849587875 1245405560 /nfs/dbraw/zinc/40/55/60/1245405560.db2.gz VVFAOAYCQVLBIQ-KURKYZTESA-N 2 0 365.522 0.664 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCC[NH+](CCCO)C2)cn1 ZINC000849598957 1245406677 /nfs/dbraw/zinc/40/66/77/1245406677.db2.gz JDWHEDKAZGGGCK-FGTMMUONSA-N 2 0 363.506 0.418 10 0 FCAERP CCO[C@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C[NH+](C)C ZINC000917678378 1245559129 /nfs/dbraw/zinc/55/91/29/1245559129.db2.gz UPAQLWLNRZROIU-MRXNPFEDSA-N 2 0 371.526 0.195 10 0 FCAERP Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000923416796 1245717052 /nfs/dbraw/zinc/71/70/52/1245717052.db2.gz ZWOJMRUUHPOWIQ-IDCNUPLLSA-N 2 0 361.442 0.602 10 0 FCAERP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503214 1245724865 /nfs/dbraw/zinc/72/48/65/1245724865.db2.gz HUXLGPRLPFFNFP-OWCLPIDISA-N 2 0 362.474 0.869 10 0 FCAERP OCC1(CO)CC[NH+](Cc2cccc(C[N@H+]3CCC(CO)(CO)C3)c2)C1 ZINC001327913745 1265451426 /nfs/dbraw/zinc/45/14/26/1265451426.db2.gz QYHNLWQGPUPWOE-UHFFFAOYSA-N 2 0 364.486 0.040 10 0 FCAERP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001520266566 1265893778 /nfs/dbraw/zinc/89/37/78/1265893778.db2.gz DUVSYACHBMKGCO-SJORKVTESA-N 2 0 362.518 0.731 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001520309306 1265903876 /nfs/dbraw/zinc/90/38/76/1265903876.db2.gz YQMSUICODQIMLZ-BBWFWOEESA-N 2 0 350.507 0.587 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)COCC[NH+](C)C ZINC001521005636 1266061577 /nfs/dbraw/zinc/06/15/77/1266061577.db2.gz AXNBWBFVOGJEEZ-YVSFHVDLSA-N 2 0 368.522 0.401 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001521654558 1266158910 /nfs/dbraw/zinc/15/89/10/1266158910.db2.gz OFKSKMNQIVIGKP-TXPKVOOTSA-N 2 0 350.507 0.587 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001521654557 1266159265 /nfs/dbraw/zinc/15/92/65/1266159265.db2.gz OFKSKMNQIVIGKP-JTDSTZFVSA-N 2 0 350.507 0.587 10 0 FCAERP CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1)[NH+](C)C ZINC001521675872 1266162009 /nfs/dbraw/zinc/16/20/09/1266162009.db2.gz ULMOKRBTYIQIGG-GJYPPUQNSA-N 2 0 364.534 0.975 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)CC[N@@H+]1C ZINC001521907342 1266208326 /nfs/dbraw/zinc/20/83/26/1266208326.db2.gz NBVHKDGOYYFILA-QBPKDAKJSA-N 2 0 364.534 0.879 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-n3cccn3)cc2)CC[N@@H+]1C ZINC001331713327 1266270739 /nfs/dbraw/zinc/27/07/39/1266270739.db2.gz ZJXRHGLJTXAHAT-SZVBFZGTSA-N 2 0 371.485 0.779 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@H]32)CC[N@@H+]1C ZINC001335372165 1259630074 /nfs/dbraw/zinc/63/00/74/1259630074.db2.gz OYTZIGNLCLNWLP-NNPSNHGLSA-N 2 0 364.534 0.878 10 0 FCAERP O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC001331748435 1266276389 /nfs/dbraw/zinc/27/63/89/1266276389.db2.gz ZWRSLQPQWWUORO-IBGZPJMESA-N 2 0 373.497 0.850 10 0 FCAERP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC001335713262 1259800394 /nfs/dbraw/zinc/80/03/94/1259800394.db2.gz VKHYYUSVUSKOAO-KRWDZBQOSA-N 2 0 366.506 0.204 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)c1cccc2c1C[NH2+]CC2 ZINC001335715954 1259801249 /nfs/dbraw/zinc/80/12/49/1259801249.db2.gz RCKFWLZSANDIAD-CJNGLKHVSA-N 2 0 372.469 0.798 10 0 FCAERP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CCC([NH+]2CCCOCC2)CC1 ZINC001262214707 1260279094 /nfs/dbraw/zinc/27/90/94/1260279094.db2.gz YJWLPQQIQDIIIS-KRWDZBQOSA-N 2 0 363.510 0.849 10 0 FCAERP Cc1nonc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001264490900 1260374195 /nfs/dbraw/zinc/37/41/95/1260374195.db2.gz FTBOCWCMXKXAAC-VNQPRFMTSA-N 2 0 365.478 0.721 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N(C)CC ZINC001264622711 1260384382 /nfs/dbraw/zinc/38/43/82/1260384382.db2.gz WKGYWBBUWYJSKB-DLBZAZTESA-N 2 0 368.522 0.545 10 0 FCAERP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCOCCNC(C)=O)CC[C@@H]2C1)[NH+](C)C ZINC001264651814 1260391867 /nfs/dbraw/zinc/39/18/67/1260391867.db2.gz IJCLUPJOIMCSKC-SQNIBIBYSA-N 2 0 368.522 0.260 10 0 FCAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)[C@@H]1C ZINC001264731235 1260405861 /nfs/dbraw/zinc/40/58/61/1260405861.db2.gz FXULINOJZGZILC-BBWFWOEESA-N 2 0 366.506 0.156 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)Nc2ccon2)C2CC2)CC[N@@H+]1C ZINC001265357334 1260411520 /nfs/dbraw/zinc/41/15/20/1260411520.db2.gz YOWPYAIVSLUHMT-SOUVJXGZSA-N 2 0 363.462 0.828 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1cccc2c1C[NH2+]CC2 ZINC001332116742 1266339168 /nfs/dbraw/zinc/33/91/68/1266339168.db2.gz RBRYUQDIJDXWAT-CQSZACIVSA-N 2 0 358.442 0.409 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCn2nc(C)nc2C)CC[N@@H+]1C ZINC001278762104 1260727587 /nfs/dbraw/zinc/72/75/87/1260727587.db2.gz MNXCFQMXXURDKP-YESZJQIVSA-N 2 0 366.510 0.034 10 0 FCAERP COCCCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001280691935 1261071335 /nfs/dbraw/zinc/07/13/35/1261071335.db2.gz LOMLSJAGGPGLAO-GUDVDZBRSA-N 2 0 366.550 0.972 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)CC[NH+](C)CC)[C@@H]3C2)CC[N@@H+]1C ZINC001280713720 1261071809 /nfs/dbraw/zinc/07/18/09/1261071809.db2.gz RMYSQWXVZAXRDH-NNPSNHGLSA-N 2 0 364.534 0.879 10 0 FCAERP Cc1ncc(C[NH2+][C@@]2(CO)CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001281121930 1261095049 /nfs/dbraw/zinc/09/50/49/1261095049.db2.gz XCMXHFXVOGSGNG-BJZITVGISA-N 2 0 361.490 0.568 10 0 FCAERP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001281709881 1261165996 /nfs/dbraw/zinc/16/59/96/1261165996.db2.gz GSCARAVKDNRVFW-BRWVUGGUSA-N 2 0 368.522 0.279 10 0 FCAERP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001281797599 1261201033 /nfs/dbraw/zinc/20/10/33/1261201033.db2.gz UWQSQRWRVMDCGB-HYVNUMGLSA-N 2 0 362.518 0.633 10 0 FCAERP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001281838669 1261222609 /nfs/dbraw/zinc/22/26/09/1261222609.db2.gz KQGXITYUIKNAOZ-TWMKSMIVSA-N 2 0 368.522 0.399 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1O ZINC001281892985 1261263223 /nfs/dbraw/zinc/26/32/23/1261263223.db2.gz WOXGOCQOHYNQNQ-IKGGRYGDSA-N 2 0 368.522 0.279 10 0 FCAERP Cc1cc(NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)ccc1N1CC[NH+](C)CC1 ZINC001332461611 1266409816 /nfs/dbraw/zinc/40/98/16/1266409816.db2.gz FBJVDRPNQWLOHJ-KRWDZBQOSA-N 2 0 373.501 0.881 10 0 FCAERP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001332461189 1266410355 /nfs/dbraw/zinc/41/03/55/1266410355.db2.gz AUJFDULYAJTCAW-MSOLQXFVSA-N 2 0 366.506 0.480 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCCC(C)(C)C)CC[N@@H+]1C ZINC001332515109 1266420917 /nfs/dbraw/zinc/42/09/17/1266420917.db2.gz ARGBLWJITBZNGR-OWCLPIDISA-N 2 0 370.538 0.288 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001289070611 1262092268 /nfs/dbraw/zinc/09/22/68/1262092268.db2.gz RANOKZZIPNQRMW-GVDBMIGSSA-N 2 0 368.522 0.281 10 0 FCAERP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2O)CCC1 ZINC001289099851 1262106147 /nfs/dbraw/zinc/10/61/47/1262106147.db2.gz WJMUBPNBTBXFEC-BZUAXINKSA-N 2 0 366.506 0.033 10 0 FCAERP CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)[NH+]1CCCC1 ZINC001289169365 1262136224 /nfs/dbraw/zinc/13/62/24/1262136224.db2.gz JAOCOXQPSWSMBT-NUJGCVRESA-N 2 0 368.522 0.137 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001289621348 1262274229 /nfs/dbraw/zinc/27/42/29/1262274229.db2.gz IRMTZFKIZKZRNQ-IKGGRYGDSA-N 2 0 368.522 0.277 10 0 FCAERP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001290268866 1262418190 /nfs/dbraw/zinc/41/81/90/1262418190.db2.gz QBZXNNMBFWDYGR-IXDOHACOSA-N 2 0 368.522 0.402 10 0 FCAERP C[NH+](C)CC1(C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)CC[C@@H]3C2)CC1 ZINC001290534699 1262465915 /nfs/dbraw/zinc/46/59/15/1262465915.db2.gz WMFKRQVBAIYTPH-SJORKVTESA-N 2 0 362.518 0.731 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1C ZINC001298424186 1262925576 /nfs/dbraw/zinc/92/55/76/1262925576.db2.gz HKKCZLFZVCNBLG-NMBNSIPYSA-N 2 0 362.518 0.991 10 0 FCAERP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001479475083 1263213673 /nfs/dbraw/zinc/21/36/73/1263213673.db2.gz DVCXRLOERPDSBM-MJBXVCDLSA-N 2 0 355.483 0.047 10 0 FCAERP CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001479489845 1263220665 /nfs/dbraw/zinc/22/06/65/1263220665.db2.gz UTJZTLWKSKDVJX-GZBFAFLISA-N 2 0 352.483 0.069 10 0 FCAERP CCN(C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1)C1CC1 ZINC001479496227 1263222996 /nfs/dbraw/zinc/22/29/96/1263222996.db2.gz VXFXCDNCDCYCTL-JKSUJKDBSA-N 2 0 350.507 0.968 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001479547306 1263249253 /nfs/dbraw/zinc/24/92/53/1263249253.db2.gz DJVGYRIBCUMJSV-ZMSDIMECSA-N 2 0 366.506 0.060 10 0 FCAERP C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001479562430 1263255614 /nfs/dbraw/zinc/25/56/14/1263255614.db2.gz RMYNUNXNDJWKIB-BPQIPLTHSA-N 2 0 362.518 0.777 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001479584076 1263264999 /nfs/dbraw/zinc/26/49/99/1263264999.db2.gz BUTLDLGJAFBOCS-QLFBSQMISA-N 2 0 352.479 0.349 10 0 FCAERP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC(=O)Nc2ccon2)C1 ZINC001479590045 1263266967 /nfs/dbraw/zinc/26/69/67/1263266967.db2.gz FVUXIBVHRAAJGZ-KFWWJZLASA-N 2 0 363.462 0.782 10 0 FCAERP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001479591569 1263267867 /nfs/dbraw/zinc/26/78/67/1263267867.db2.gz YLGHWAZERFAWLQ-CVEARBPZSA-N 2 0 364.490 0.448 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001479594275 1263270179 /nfs/dbraw/zinc/27/01/79/1263270179.db2.gz FKECPYJGXWRXMC-IRXDYDNUSA-N 2 0 357.543 0.621 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001479636869 1263283630 /nfs/dbraw/zinc/28/36/30/1263283630.db2.gz FQUBKILFQJGQTJ-YESZJQIVSA-N 2 0 363.506 0.697 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001479640509 1263291983 /nfs/dbraw/zinc/29/19/83/1263291983.db2.gz PCKVFRQLCFPCJJ-JKSUJKDBSA-N 2 0 350.507 0.918 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1C[C@H](O)COC ZINC001479644245 1263297522 /nfs/dbraw/zinc/29/75/22/1263297522.db2.gz PKULPFQVUNJIJU-BHYGNILZSA-N 2 0 357.495 0.074 10 0 FCAERP 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ZINC001328489559 871459641 /nfs/dbraw/zinc/45/96/41/871459641.db2.gz CDDLKCIJSHXBII-ZDUSSCGKSA-N 2 0 364.412 0.541 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001345877714 871542286 /nfs/dbraw/zinc/54/22/86/871542286.db2.gz NCSJAUXRHMRSMI-QFBILLFUSA-N 2 0 352.523 0.975 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001346101678 871646978 /nfs/dbraw/zinc/64/69/78/871646978.db2.gz PVLFTRCFWGARQW-QBPKDAKJSA-N 2 0 352.523 0.879 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001347045614 872133370 /nfs/dbraw/zinc/13/33/70/872133370.db2.gz BUOLPRPJUGANJU-MTSZKFMLSA-N 2 0 350.507 0.917 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001348004361 872559044 /nfs/dbraw/zinc/55/90/44/872559044.db2.gz UCWPIAWUNWYRGA-OLMMMNRUSA-N 2 0 350.507 0.776 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C2=NS(=O)(=O)c3ccccc32)C[C@H]1C[NH+](C)C ZINC001330338196 872582899 /nfs/dbraw/zinc/58/28/99/872582899.db2.gz KTOLTLLPZIGMNS-ZIAGYGMSSA-N 2 0 350.488 0.807 10 0 FCAERP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001348865504 872816308 /nfs/dbraw/zinc/81/63/08/872816308.db2.gz WLJQSGFFPHHMRW-MAUKXSAKSA-N 2 0 350.507 0.382 10 0 FCAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC(F)(F)F ZINC001331455931 873111399 /nfs/dbraw/zinc/11/13/99/873111399.db2.gz QPDGKMVLFHQKKX-QJPTWQEYSA-N 2 0 352.401 0.442 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCCC[C@@H]2CCOC2=O)C[C@H]1C[NH+](C)C ZINC001331670995 873189479 /nfs/dbraw/zinc/18/94/79/873189479.db2.gz LJSSCFPALMSCQG-BZUAXINKSA-N 2 0 354.495 0.711 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001332572644 873562682 /nfs/dbraw/zinc/56/26/82/873562682.db2.gz NLXJOPIZRMRYOB-AWEZNQCLSA-N 2 0 350.467 0.183 10 0 FCAERP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC001332613847 873581750 /nfs/dbraw/zinc/58/17/50/873581750.db2.gz RBUYZDQCYCMNFM-CALCHBBNSA-N 2 0 350.507 0.827 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CN(C)Cc2cc(C)on2)CC[N@@H+]1C ZINC001332630522 873588827 /nfs/dbraw/zinc/58/88/27/873588827.db2.gz ASUAGVZPGZOFNC-IXDOHACOSA-N 2 0 352.479 0.964 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCc2ccns2)CC[N@@H+]1C ZINC001332634588 873591817 /nfs/dbraw/zinc/59/18/17/873591817.db2.gz ZMBUUMHCDQMOPF-IIAWOOMASA-N 2 0 354.520 0.777 10 0 FCAERP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001332966448 873738146 /nfs/dbraw/zinc/73/81/46/873738146.db2.gz LLKACORTOYDQLM-HOTGVXAUSA-N 2 0 351.499 0.704 10 0 FCAERP C[NH+]1CCN(c2cc(C(=O)N[C@H](CO)C[NH+]3CCCCC3)ccn2)CC1 ZINC000413817470 529776783 /nfs/dbraw/zinc/77/67/83/529776783.db2.gz MCWHQYORYVQTKV-KRWDZBQOSA-N 2 0 361.490 0.410 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)C[NH+](C)C ZINC000930718985 674050896 /nfs/dbraw/zinc/05/08/96/674050896.db2.gz UESAYQRPNGDYFE-JKSUJKDBSA-N 2 0 354.495 0.202 10 0 FCAERP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000332794257 215210437 /nfs/dbraw/zinc/21/04/37/215210437.db2.gz DMPGYGQDEXUPEX-DLBZAZTESA-N 2 0 367.538 0.517 10 0 FCAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000931005749 674086256 /nfs/dbraw/zinc/08/62/56/674086256.db2.gz VNOAHACJMDPNKM-INIZCTEOSA-N 2 0 350.507 0.920 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000285034390 213271377 /nfs/dbraw/zinc/27/13/77/213271377.db2.gz HWNDRLMBZGMZDR-QZTJIDSGSA-N 2 0 372.513 0.876 10 0 FCAERP CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000367267531 216100022 /nfs/dbraw/zinc/10/00/22/216100022.db2.gz QNNHVGSRGHWMDH-KRWDZBQOSA-N 2 0 359.536 0.702 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000367850667 216171310 /nfs/dbraw/zinc/17/13/10/216171310.db2.gz RNPUDXIEYDACKL-MJGOQNOKSA-N 2 0 352.523 0.487 10 0 FCAERP Cc1cnn([C@@H]2CCN(CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C2)c1 ZINC000368088250 216202088 /nfs/dbraw/zinc/20/20/88/216202088.db2.gz FUEGVIDAXMMGNS-QZTJIDSGSA-N 2 0 363.506 0.911 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCC[NH+](CC)C2)CC1=O ZINC000246442058 209388378 /nfs/dbraw/zinc/38/83/78/209388378.db2.gz NXKLPPWFRGAQJU-IXDOHACOSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000246459603 209386988 /nfs/dbraw/zinc/38/69/88/209386988.db2.gz DJIBHXWBVNILKE-HHXXYDBFSA-N 2 0 363.506 0.904 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246236824 209383614 /nfs/dbraw/zinc/38/36/14/209383614.db2.gz UBDFCDONXZPLLQ-ROUUACIJSA-N 2 0 352.523 0.630 10 0 FCAERP CO[C@@H]1CC[C@H]2OCCN(Cc3cnc(N4CCN(C)CC4)nc3)[C@@H]2C1 ZINC000245741625 209374114 /nfs/dbraw/zinc/37/41/14/209374114.db2.gz GFHMZRYZEBMGBI-KZNAEPCWSA-N 2 0 361.490 0.997 10 0 FCAERP O=S(=O)(CC[NH+]1CCCC1)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000192818648 209305111 /nfs/dbraw/zinc/30/51/11/209305111.db2.gz QCDFPSZNBNYVRF-QZTJIDSGSA-N 2 0 367.515 0.637 10 0 FCAERP C[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)N1CCN(C)CC1 ZINC000369108315 216349778 /nfs/dbraw/zinc/34/97/78/216349778.db2.gz CBKXGZHATJKOLX-MSOLQXFVSA-N 2 0 351.539 0.251 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000931396983 674111831 /nfs/dbraw/zinc/11/18/31/674111831.db2.gz LLNXQZGAGREWRN-RDJZCZTQSA-N 2 0 374.551 0.333 10 0 FCAERP Cc1ccccc1CC(=O)N1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414689739 245309978 /nfs/dbraw/zinc/30/99/78/245309978.db2.gz GSZCGDMSQNLPEL-GOSISDBHSA-N 2 0 372.513 0.879 10 0 FCAERP O[C@H](COCc1ccccc1)C[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000374789349 217173535 /nfs/dbraw/zinc/17/35/35/217173535.db2.gz UZTSFNQLQQPUGQ-IBGZPJMESA-N 2 0 364.486 0.723 10 0 FCAERP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000419157876 246023165 /nfs/dbraw/zinc/02/31/65/246023165.db2.gz WVTCEHMIRWUJQI-XYPHTWIQSA-N 2 0 364.465 0.925 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419212793 246057768 /nfs/dbraw/zinc/05/77/68/246057768.db2.gz VFTPTWXSAOMYDC-NXHRZFHOSA-N 2 0 358.486 0.881 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419205271 246052038 /nfs/dbraw/zinc/05/20/38/246052038.db2.gz JPVXRFLGUUPNPC-PBHICJAKSA-N 2 0 362.474 0.357 10 0 FCAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419341089 246102810 /nfs/dbraw/zinc/10/28/10/246102810.db2.gz XRHLYZALNVKORS-WMLDXEAASA-N 2 0 359.474 0.276 10 0 FCAERP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000419379080 246124564 /nfs/dbraw/zinc/12/45/64/246124564.db2.gz WILVUULVFCRHAF-IXDOHACOSA-N 2 0 352.523 0.973 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000419412454 246146337 /nfs/dbraw/zinc/14/63/37/246146337.db2.gz QWAXVBULLPTFCD-KCXAZCMYSA-N 2 0 350.438 0.659 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000419411030 246145196 /nfs/dbraw/zinc/14/51/96/246145196.db2.gz PRSJTCRBILBJEA-INIZCTEOSA-N 2 0 350.438 0.755 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000419440871 246165516 /nfs/dbraw/zinc/16/55/16/246165516.db2.gz LNEYKTXWGHYBND-HZPDHXFCSA-N 2 0 356.511 0.584 10 0 FCAERP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NCCC[NH3+])CC2)c1 ZINC000419500545 246182887 /nfs/dbraw/zinc/18/28/87/246182887.db2.gz CYEOVQPJWPNGRY-UHFFFAOYSA-N 2 0 361.490 0.088 10 0 FCAERP C[C@H]1C[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419565869 246203919 /nfs/dbraw/zinc/20/39/19/246203919.db2.gz OQHGKEMUKLCKJU-RDJZCZTQSA-N 2 0 358.486 0.868 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000419547149 246200288 /nfs/dbraw/zinc/20/02/88/246200288.db2.gz QZKVPGOBACNEQH-PBHICJAKSA-N 2 0 362.474 0.550 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000419547150 246200409 /nfs/dbraw/zinc/20/04/09/246200409.db2.gz QZKVPGOBACNEQH-RHSMWYFYSA-N 2 0 362.474 0.550 10 0 FCAERP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000419893196 246353428 /nfs/dbraw/zinc/35/34/28/246353428.db2.gz LZDWMJNSAGFHGU-SJORKVTESA-N 2 0 350.507 0.969 10 0 FCAERP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419890126 246354910 /nfs/dbraw/zinc/35/49/10/246354910.db2.gz MSDZCWVEMUNETI-WBVHZDCISA-N 2 0 350.507 0.825 10 0 FCAERP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000419940255 246380739 /nfs/dbraw/zinc/38/07/39/246380739.db2.gz ZKKVLUUZURKDOG-MSOLQXFVSA-N 2 0 358.486 0.993 10 0 FCAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419960344 246387911 /nfs/dbraw/zinc/38/79/11/246387911.db2.gz YBXGHMDTNQBNGL-HNNXBMFYSA-N 2 0 352.504 0.897 10 0 FCAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419960345 246388966 /nfs/dbraw/zinc/38/89/66/246388966.db2.gz YBXGHMDTNQBNGL-OAHLLOKOSA-N 2 0 352.504 0.897 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CC1 ZINC000423376338 247016598 /nfs/dbraw/zinc/01/65/98/247016598.db2.gz VBWBTKOENGUZML-UHFFFAOYSA-N 2 0 352.504 0.849 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[C@@]1(C)C[NH3+] ZINC000423548471 247048138 /nfs/dbraw/zinc/04/81/38/247048138.db2.gz DFABBUOBRJUHHW-DOHHPOSVSA-N 2 0 362.518 0.905 10 0 FCAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000423438076 247028606 /nfs/dbraw/zinc/02/86/06/247028606.db2.gz GRKQRRZOICFHJP-XLIONFOSSA-N 2 0 362.518 0.779 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000423463025 247033884 /nfs/dbraw/zinc/03/38/84/247033884.db2.gz AHSJVIXZLURRLN-HDICACEKSA-N 2 0 370.497 0.787 10 0 FCAERP C[C@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1C[NH3+] ZINC000423721762 247126337 /nfs/dbraw/zinc/12/63/37/247126337.db2.gz FFPXYGFNDBXVQV-RDJZCZTQSA-N 2 0 350.507 0.907 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000469901457 250011684 /nfs/dbraw/zinc/01/16/84/250011684.db2.gz ZPGKDNDTGRDTHE-ZWKOTPCHSA-N 2 0 354.539 0.877 10 0 FCAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000072038244 208037692 /nfs/dbraw/zinc/03/76/92/208037692.db2.gz JCFCHOAMXBHTEK-UHFFFAOYSA-N 2 0 362.474 0.473 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000111867135 208288484 /nfs/dbraw/zinc/28/84/84/208288484.db2.gz KVLPXUVCRYXJAY-GOSISDBHSA-N 2 0 368.522 0.851 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000180125339 209090487 /nfs/dbraw/zinc/09/04/87/209090487.db2.gz JBAZGZNSMXTXJY-INIZCTEOSA-N 2 0 374.489 0.785 10 0 FCAERP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)CC1 ZINC000178307227 209048461 /nfs/dbraw/zinc/04/84/61/209048461.db2.gz XAYVEVYBYXFWMY-MRXNPFEDSA-N 2 0 363.462 0.957 10 0 FCAERP COC1(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC[NH2+]CC1 ZINC000178891191 209064239 /nfs/dbraw/zinc/06/42/39/209064239.db2.gz GRYFUQWJKHLZAY-UHFFFAOYSA-N 2 0 352.523 0.822 10 0 FCAERP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000091768742 229157416 /nfs/dbraw/zinc/15/74/16/229157416.db2.gz SKBHANJXUIYQIT-HZPDHXFCSA-N 2 0 351.495 0.419 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410498364 230103537 /nfs/dbraw/zinc/10/35/37/230103537.db2.gz OANNWVZACZXHIR-FUHWJXTLSA-N 2 0 362.518 0.872 10 0 FCAERP CCOC(=O)c1cn(C)nc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000527131863 484414820 /nfs/dbraw/zinc/41/48/20/484414820.db2.gz QSDRXEPKJOWSDQ-UHFFFAOYSA-N 2 0 354.455 0.554 10 0 FCAERP COC1CC[NH+](C2(CNC(=O)N3CCOC4(C[NH2+]C4)C3)CCCC2)CC1 ZINC000562801491 491189421 /nfs/dbraw/zinc/18/94/21/491189421.db2.gz OEABHRVWIPBTCJ-UHFFFAOYSA-N 2 0 366.506 0.794 10 0 FCAERP O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C(=O)N1CC[NH2+]CC1 ZINC000311690621 488895221 /nfs/dbraw/zinc/89/52/21/488895221.db2.gz SFTQFNLVXGKEHZ-KZNAEPCWSA-N 2 0 356.470 0.445 10 0 FCAERP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000364519524 488967867 /nfs/dbraw/zinc/96/78/67/488967867.db2.gz LOQOSHFAZUQBBI-NVXWUHKLSA-N 2 0 350.507 0.907 10 0 FCAERP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCCC1 ZINC000562821394 491192757 /nfs/dbraw/zinc/19/27/57/491192757.db2.gz WEJRGBOUHVIXMO-LJQANCHMSA-N 2 0 350.507 0.827 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000248619116 488499831 /nfs/dbraw/zinc/49/98/31/488499831.db2.gz MOFWJFUKHNKXII-HOTGVXAUSA-N 2 0 356.511 0.584 10 0 FCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000106125542 488511951 /nfs/dbraw/zinc/51/19/51/488511951.db2.gz CDBYAEXSPQNMKI-LLVKDONJSA-N 2 0 368.400 0.399 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]([NH3+])C3CCOCC3)cn2)CC1 ZINC000261755996 488534636 /nfs/dbraw/zinc/53/46/36/488534636.db2.gz LKNLHQCKEXVAGQ-GOSISDBHSA-N 2 0 361.490 0.594 10 0 FCAERP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261858759 488539108 /nfs/dbraw/zinc/53/91/08/488539108.db2.gz WGGZPGRHLCSAOQ-HPBDAGMYSA-N 2 0 358.486 0.773 10 0 FCAERP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)c1ccccc1 ZINC000261865789 488539174 /nfs/dbraw/zinc/53/91/74/488539174.db2.gz CQKWIGAAILWEDZ-BBWFWOEESA-N 2 0 353.488 0.712 10 0 FCAERP O=C(CC1CCCC1)NC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262106006 488550826 /nfs/dbraw/zinc/55/08/26/488550826.db2.gz MJBOUABMWNWMOX-UHFFFAOYSA-N 2 0 350.507 0.969 10 0 FCAERP CC[C@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)CC[N@@H+]1CCOC ZINC000120950766 488564103 /nfs/dbraw/zinc/56/41/03/488564103.db2.gz OQGNQQJFKVHQIC-SFHVURJKSA-N 2 0 362.522 0.771 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000121048010 488564598 /nfs/dbraw/zinc/56/45/98/488564598.db2.gz MXBIIERROCMHMZ-UHFFFAOYSA-N 2 0 350.463 0.976 10 0 FCAERP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000562997539 491206672 /nfs/dbraw/zinc/20/66/72/491206672.db2.gz UUFPFBJRMYZDHE-IAGOWNOFSA-N 2 0 369.531 0.437 10 0 FCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262643099 488584259 /nfs/dbraw/zinc/58/42/59/488584259.db2.gz LZHATYWNGBWYKD-ZACQAIPSSA-N 2 0 350.507 0.920 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000130575157 488638881 /nfs/dbraw/zinc/63/88/81/488638881.db2.gz PZVHVSXMNQXMNF-UHFFFAOYSA-N 2 0 373.461 0.362 10 0 FCAERP Cc1c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cccc1N(C)C ZINC000130628301 488639496 /nfs/dbraw/zinc/63/94/96/488639496.db2.gz PTFVFHCCQOGLOH-UHFFFAOYSA-N 2 0 363.506 0.951 10 0 FCAERP CC(C)C[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)NCC[NH+](C)C ZINC000132674222 488654897 /nfs/dbraw/zinc/65/48/97/488654897.db2.gz UTQINLFNNBDVAJ-GJZGRUSLSA-N 2 0 358.552 0.632 10 0 FCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000137208777 488680057 /nfs/dbraw/zinc/68/00/57/488680057.db2.gz UFIAGBKCKFCKRS-HOTGVXAUSA-N 2 0 351.495 0.419 10 0 FCAERP CC[NH+]1CCC[C@@H](NC(=O)CSCC(=O)N[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000153373562 488730072 /nfs/dbraw/zinc/73/00/72/488730072.db2.gz XHSLVTAOOGDNDS-HZPDHXFCSA-N 2 0 370.563 0.921 10 0 FCAERP CC(C)c1nnnn1CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154223521 488739464 /nfs/dbraw/zinc/73/94/64/488739464.db2.gz ZRCJBRHKGPVRKY-XYPWUTKMSA-N 2 0 361.494 0.566 10 0 FCAERP CC(=O)N1CC[C@@H](C[NH+](C)CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000156641030 488766486 /nfs/dbraw/zinc/76/64/86/488766486.db2.gz RHGJGLSHJAEMCG-ROUUACIJSA-N 2 0 368.522 0.260 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)CN1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000158689063 488779670 /nfs/dbraw/zinc/77/96/70/488779670.db2.gz XSUGHSUKYFXYFS-OALUTQOASA-N 2 0 360.502 0.812 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cn2)CC1 ZINC000173646685 488844144 /nfs/dbraw/zinc/84/41/44/488844144.db2.gz QCXLUDPIQIADHG-GOSISDBHSA-N 2 0 370.501 0.989 10 0 FCAERP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173991500 488847022 /nfs/dbraw/zinc/84/70/22/488847022.db2.gz OLYHECLLHRBWRJ-MSOLQXFVSA-N 2 0 373.501 0.525 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175751989 488855530 /nfs/dbraw/zinc/85/55/30/488855530.db2.gz JZRVWDVFMVRHDB-KRWDZBQOSA-N 2 0 355.527 0.422 10 0 FCAERP CC[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000182053886 488863980 /nfs/dbraw/zinc/86/39/80/488863980.db2.gz NBARVXORYXBRAZ-SJORKVTESA-N 2 0 369.554 0.499 10 0 FCAERP COC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCCO1 ZINC000365111031 489039644 /nfs/dbraw/zinc/03/96/44/489039644.db2.gz OCMKMNFZCAHFFK-IKGGRYGDSA-N 2 0 357.495 0.243 10 0 FCAERP Cc1nccc(N2CCN(C(=O)C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)n1 ZINC000289223582 489050813 /nfs/dbraw/zinc/05/08/13/489050813.db2.gz ZJZZNOUNRWIIAU-CJNGLKHVSA-N 2 0 372.473 0.033 10 0 FCAERP Cc1nccc(N2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)n1 ZINC000289223583 489050842 /nfs/dbraw/zinc/05/08/42/489050842.db2.gz ZJZZNOUNRWIIAU-CZUORRHYSA-N 2 0 372.473 0.033 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000365513514 489082592 /nfs/dbraw/zinc/08/25/92/489082592.db2.gz PGFQNKKOBBDJHF-WMZOPIPTSA-N 2 0 368.522 0.992 10 0 FCAERP COC(=O)[C@@]1(C)CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000366030410 489136551 /nfs/dbraw/zinc/13/65/51/489136551.db2.gz CWOGZHJUBPPLHH-YJBOKZPZSA-N 2 0 355.479 0.344 10 0 FCAERP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000283418404 489256422 /nfs/dbraw/zinc/25/64/22/489256422.db2.gz LANJRQOUCDQELA-SFHVURJKSA-N 2 0 360.502 0.876 10 0 FCAERP CN(Cc1nccn1C)C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000286806081 489431141 /nfs/dbraw/zinc/43/11/41/489431141.db2.gz BAUFBFZSPVJCSP-UHFFFAOYSA-N 2 0 361.421 0.896 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363179721 489434318 /nfs/dbraw/zinc/43/43/18/489434318.db2.gz PSADONJKHKDKTM-SJORKVTESA-N 2 0 355.527 0.422 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000570641198 491255138 /nfs/dbraw/zinc/25/51/38/491255138.db2.gz WOSASEQNYIKXJU-QGZVFWFLSA-N 2 0 366.506 0.348 10 0 FCAERP O=C(C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000423088765 489491959 /nfs/dbraw/zinc/49/19/59/489491959.db2.gz SPYJHZNFWGXMRO-UHFFFAOYSA-N 2 0 362.518 0.923 10 0 FCAERP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000423084567 489492290 /nfs/dbraw/zinc/49/22/90/489492290.db2.gz IJEJGBYTNGGABL-WBVHZDCISA-N 2 0 350.507 0.907 10 0 FCAERP CCN(C)C(=O)[C@@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000451313249 489497935 /nfs/dbraw/zinc/49/79/35/489497935.db2.gz MHHBQQAQWJCIAH-WMZOPIPTSA-N 2 0 370.538 0.552 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)o1 ZINC000423163744 489499104 /nfs/dbraw/zinc/49/91/04/489499104.db2.gz NDPBIMDHBAKXCN-RDJZCZTQSA-N 2 0 362.474 0.689 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415622249 489537700 /nfs/dbraw/zinc/53/77/00/489537700.db2.gz KURZRPNCRTZLOI-SWLSCSKDSA-N 2 0 366.437 0.819 10 0 FCAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000563694177 491263829 /nfs/dbraw/zinc/26/38/29/491263829.db2.gz CDULPFFUANYCFA-LPHOPBHVSA-N 2 0 350.507 0.825 10 0 FCAERP Cc1nccn1-c1ccc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)cn1 ZINC000372927223 489652547 /nfs/dbraw/zinc/65/25/47/489652547.db2.gz USMFECCPIYRWAN-CYBMUJFWSA-N 2 0 372.429 0.039 10 0 FCAERP COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000373089485 489667690 /nfs/dbraw/zinc/66/76/90/489667690.db2.gz IKCBTMVUOQEYAU-JKSUJKDBSA-N 2 0 355.479 0.487 10 0 FCAERP COc1cccc([C@H]2[C@H](NC(=O)N(CC[NH3+])CCO)CC[N@@H+]2C2CC2)c1 ZINC000417985750 489674171 /nfs/dbraw/zinc/67/41/71/489674171.db2.gz HMZNVIWJJDKSRI-MSOLQXFVSA-N 2 0 362.474 0.936 10 0 FCAERP CC1=CC[N@H+](CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418007398 489675325 /nfs/dbraw/zinc/67/53/25/489675325.db2.gz CTPCDFQBYHGRMS-AWEZNQCLSA-N 2 0 363.428 0.774 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[C@H]1c1ccc(F)cc1 ZINC000418291636 489688724 /nfs/dbraw/zinc/68/87/24/489688724.db2.gz WFRAHFTXGQJDDK-ZWKOTPCHSA-N 2 0 363.481 0.947 10 0 FCAERP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418666096 489716226 /nfs/dbraw/zinc/71/62/26/489716226.db2.gz CONJYOJFWSTRHF-LXPRWKDFSA-N 2 0 367.538 0.349 10 0 FCAERP O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418756648 489723133 /nfs/dbraw/zinc/72/31/33/489723133.db2.gz YLNUANUXBHSDFI-DOTOQJQBSA-N 2 0 368.428 0.920 10 0 FCAERP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418756654 489723170 /nfs/dbraw/zinc/72/31/70/489723170.db2.gz YLNUANUXBHSDFI-WBVHZDCISA-N 2 0 368.428 0.920 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C(N)=O)co1 ZINC000430224757 489725854 /nfs/dbraw/zinc/72/58/54/489725854.db2.gz ZTVPPZQDVJOWRR-OAHLLOKOSA-N 2 0 365.478 0.936 10 0 FCAERP C[C@]1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000418818043 489736320 /nfs/dbraw/zinc/73/63/20/489736320.db2.gz NGJXDTPGKSYAQW-YLJYHZDGSA-N 2 0 374.485 0.262 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000570986364 491278657 /nfs/dbraw/zinc/27/86/57/491278657.db2.gz AMWRUQCDFOSOGK-ZMSDIMECSA-N 2 0 365.522 0.664 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)[NH+](C)C)c1 ZINC000418864151 489764039 /nfs/dbraw/zinc/76/40/39/489764039.db2.gz QBPXLOJUGGTMJW-XYPHTWIQSA-N 2 0 362.474 0.528 10 0 FCAERP CCCN(C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000418877033 489770632 /nfs/dbraw/zinc/77/06/32/489770632.db2.gz NUFJVGAWFCUUCF-ROUUACIJSA-N 2 0 360.502 0.876 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418876814 489771111 /nfs/dbraw/zinc/77/11/11/489771111.db2.gz MXLCTYJJUVRLDF-KRWDZBQOSA-N 2 0 360.502 0.781 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418880614 489772032 /nfs/dbraw/zinc/77/20/32/489772032.db2.gz VUZFNWUJQRIUGT-FGTMMUONSA-N 2 0 360.502 0.909 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418881380 489773225 /nfs/dbraw/zinc/77/32/25/489773225.db2.gz XFETVTGUUGYGTI-QZTJIDSGSA-N 2 0 360.502 0.863 10 0 FCAERP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccco1 ZINC000418950174 489801812 /nfs/dbraw/zinc/80/18/12/489801812.db2.gz VUURKRVDNYQZIT-SOUVJXGZSA-N 2 0 350.463 0.893 10 0 FCAERP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000418959613 489804507 /nfs/dbraw/zinc/80/45/07/489804507.db2.gz HPVOTSZVCHWAKM-QWHCGFSZSA-N 2 0 350.438 0.712 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1F ZINC000418967031 489807508 /nfs/dbraw/zinc/80/75/08/489807508.db2.gz RGMYLAZEMJVVOB-CVEARBPZSA-N 2 0 362.449 0.856 10 0 FCAERP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418980389 489809265 /nfs/dbraw/zinc/80/92/65/489809265.db2.gz PCQFKPRCHMBTDB-UHFFFAOYSA-N 2 0 355.442 0.943 10 0 FCAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419004339 489815337 /nfs/dbraw/zinc/81/53/37/489815337.db2.gz ODNVWDVQYDVGAF-SFHVURJKSA-N 2 0 374.485 0.393 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)[C@H](C)C1 ZINC000419035159 489827728 /nfs/dbraw/zinc/82/77/28/489827728.db2.gz FLQSPWJTIVKKAJ-VVLHAWIVSA-N 2 0 368.522 0.354 10 0 FCAERP CN(C(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419994801 489875586 /nfs/dbraw/zinc/87/55/86/489875586.db2.gz HMYVHCSEJOHMDS-ZWKOTPCHSA-N 2 0 358.486 0.978 10 0 FCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000420001189 489877394 /nfs/dbraw/zinc/87/73/94/489877394.db2.gz POOFWLNKOBYIFA-HNNXBMFYSA-N 2 0 350.463 0.676 10 0 FCAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420095628 489910212 /nfs/dbraw/zinc/91/02/12/489910212.db2.gz FUNWRDFNONZNGD-YOEHRIQHSA-N 2 0 364.465 0.830 10 0 FCAERP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000420125852 489920604 /nfs/dbraw/zinc/92/06/04/489920604.db2.gz PXWDIUSPPCLCKH-DLBZAZTESA-N 2 0 367.538 0.249 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)o1 ZINC000420137475 489926778 /nfs/dbraw/zinc/92/67/78/489926778.db2.gz WWYXALQOJBULRM-CJNGLKHVSA-N 2 0 350.463 0.592 10 0 FCAERP CN(C(=O)C(=O)NCC1=CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420141068 489927283 /nfs/dbraw/zinc/92/72/83/489927283.db2.gz RFDWSSCSKYZZSE-GOSISDBHSA-N 2 0 356.470 0.755 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000420202227 489950182 /nfs/dbraw/zinc/95/01/82/489950182.db2.gz OUSRFTPWODTYKN-XQYHGENGSA-N 2 0 362.518 0.857 10 0 FCAERP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000477633960 489980359 /nfs/dbraw/zinc/98/03/59/489980359.db2.gz DZKIYZYVSGQXRX-MSOLQXFVSA-N 2 0 366.554 0.044 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC(F)(F)[C@H](CO)C2)C1 ZINC000463224676 490005176 /nfs/dbraw/zinc/00/51/76/490005176.db2.gz FSYJXRRRKXTJKK-LSDHHAIUSA-N 2 0 363.449 0.409 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)CC1=O ZINC000464921722 490073145 /nfs/dbraw/zinc/07/31/45/490073145.db2.gz OHQNEZDUWIECQH-BRWVUGGUSA-N 2 0 350.507 0.872 10 0 FCAERP CC1CC[NH+](CCNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000556171268 491300551 /nfs/dbraw/zinc/30/05/51/491300551.db2.gz PQNXNMCIUNZQBC-UHFFFAOYSA-N 2 0 354.495 0.063 10 0 FCAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000556172188 491300602 /nfs/dbraw/zinc/30/06/02/491300602.db2.gz VLLWCQHNOOABIG-INIZCTEOSA-N 2 0 368.522 0.452 10 0 FCAERP C[C@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000382793918 490127847 /nfs/dbraw/zinc/12/78/47/490127847.db2.gz SIRHMJJCVDVDQA-WMZOPIPTSA-N 2 0 367.515 0.901 10 0 FCAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556202543 491302626 /nfs/dbraw/zinc/30/26/26/491302626.db2.gz OOKYMYIKVCNERM-IIDMSEBBSA-N 2 0 370.563 0.919 10 0 FCAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556202545 491303043 /nfs/dbraw/zinc/30/30/43/491303043.db2.gz OOKYMYIKVCNERM-RVKKMQEKSA-N 2 0 370.563 0.919 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465946952 490155570 /nfs/dbraw/zinc/15/55/70/490155570.db2.gz HCDGOMCDUJDKBI-QGZVFWFLSA-N 2 0 367.538 0.995 10 0 FCAERP C[C@]1(CNC(=O)C(=O)N2CCC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397871430 490167568 /nfs/dbraw/zinc/16/75/68/490167568.db2.gz ICUCPTLRUOYZCN-HXUWFJFHSA-N 2 0 358.486 0.979 10 0 FCAERP CN1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000408071291 490238174 /nfs/dbraw/zinc/23/81/74/490238174.db2.gz MXDCEDCUHAOQEH-IRXDYDNUSA-N 2 0 365.522 0.665 10 0 FCAERP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000408071266 490239137 /nfs/dbraw/zinc/23/91/37/490239137.db2.gz MWCDAHSCPCRMCN-XHSDSOJGSA-N 2 0 351.495 0.417 10 0 FCAERP O[C@H](COC[C@H]1CCCO1)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000521275811 490244298 /nfs/dbraw/zinc/24/42/98/490244298.db2.gz NKOIEOPZNVDLEC-RBUKOAKNSA-N 2 0 356.507 0.977 10 0 FCAERP CC[NH+]1CCN(CC(=O)NCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000564532893 491312478 /nfs/dbraw/zinc/31/24/78/491312478.db2.gz GUKOZVKCYROAHW-UHFFFAOYSA-N 2 0 363.506 0.666 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)NCCNc3cc[nH+]cc3)cn2)CC1 ZINC000533811320 490283933 /nfs/dbraw/zinc/28/39/33/490283933.db2.gz BHMLWEDVHKZWMP-UHFFFAOYSA-N 2 0 369.473 0.562 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](CC2CCC2)[C@H](C)CO)C1 ZINC000483141868 490284118 /nfs/dbraw/zinc/28/41/18/490284118.db2.gz IJHJKARYADULKB-AEFFLSMTSA-N 2 0 355.523 0.942 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)CC1=O ZINC000498480874 490300691 /nfs/dbraw/zinc/30/06/91/490300691.db2.gz BDPZRURKOYOHMB-RCCFBDPRSA-N 2 0 362.518 0.872 10 0 FCAERP CC[NH+]1CCC(NC(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)CC1 ZINC000521900759 490309465 /nfs/dbraw/zinc/30/94/65/490309465.db2.gz WOSCOKPJKXGRLB-UHFFFAOYSA-N 2 0 353.511 0.761 10 0 FCAERP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000422470199 490338708 /nfs/dbraw/zinc/33/87/08/490338708.db2.gz FVIZRMMNRROERC-WBVHZDCISA-N 2 0 355.442 0.893 10 0 FCAERP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnc2n1CCC2 ZINC000547715276 490346827 /nfs/dbraw/zinc/34/68/27/490346827.db2.gz DPZVAWCVADCXSE-UHFFFAOYSA-N 2 0 355.508 0.476 10 0 FCAERP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000498882777 490361227 /nfs/dbraw/zinc/36/12/27/490361227.db2.gz ZBJNPIPWSLSAAL-MRXNPFEDSA-N 2 0 364.494 0.764 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](O)Cc1cnn(C)c1 ZINC000468755893 490444602 /nfs/dbraw/zinc/44/46/02/490444602.db2.gz AILFAYSZBSCAON-IAGOWNOFSA-N 2 0 351.495 0.198 10 0 FCAERP 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CC(C[NH+](C)[C@@H]1CCN2CCO[C@H]1C2)C[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451139883 490520662 /nfs/dbraw/zinc/52/06/62/490520662.db2.gz DXSLAZOECAWYCO-ZRNYENFQSA-N 2 0 366.550 0.432 10 0 FCAERP C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)cn2)CCO1 ZINC000571908740 491336875 /nfs/dbraw/zinc/33/68/75/491336875.db2.gz ANINJRURFZRCLT-SJLPKXTDSA-N 2 0 363.506 0.005 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000549985349 490616822 /nfs/dbraw/zinc/61/68/22/490616822.db2.gz POMHCKJPKYSSFF-MRXNPFEDSA-N 2 0 368.522 0.594 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487701191 490726653 /nfs/dbraw/zinc/72/66/53/490726653.db2.gz DMKXOHSNDZIVBB-ZWKOTPCHSA-N 2 0 368.522 0.776 10 0 FCAERP CN(CCC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)c1cc[nH+]cc1 ZINC000540928328 490840980 /nfs/dbraw/zinc/84/09/80/490840980.db2.gz UQNWOZXVYPIRQB-UHFFFAOYSA-N 2 0 373.461 0.421 10 0 FCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529292670 490848045 /nfs/dbraw/zinc/84/80/45/490848045.db2.gz MXRSYHNMOAKBLX-MRXNPFEDSA-N 2 0 366.510 0.213 10 0 FCAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529295737 490848384 /nfs/dbraw/zinc/84/83/84/490848384.db2.gz AWYIDNFJFNOTBB-MRXNPFEDSA-N 2 0 366.510 0.071 10 0 FCAERP O=C(NCCCN1CC[NH2+]CC1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529332553 490853880 /nfs/dbraw/zinc/85/38/80/490853880.db2.gz ZZZGPRGMNOQGOV-KRWDZBQOSA-N 2 0 353.511 0.082 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C2CC2)C(C)(C)CO)C1 ZINC000516259959 490858480 /nfs/dbraw/zinc/85/84/80/490858480.db2.gz XNWMJDYNHYQYBE-SJLPKXTDSA-N 2 0 355.523 0.846 10 0 FCAERP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1=O ZINC000529721445 490866567 /nfs/dbraw/zinc/86/65/67/490866567.db2.gz WABWAQVUTSIMOT-RDJZCZTQSA-N 2 0 350.507 0.920 10 0 FCAERP CN(CCC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)c1cc[nH+]cc1 ZINC000543295860 490928764 /nfs/dbraw/zinc/92/87/64/490928764.db2.gz CXYGWJVFUTXAMY-UHFFFAOYSA-N 2 0 362.474 0.594 10 0 FCAERP CC(C)C[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C(=O)NCC[NH+](C)C ZINC000544022636 490954912 /nfs/dbraw/zinc/95/49/12/490954912.db2.gz KDHSPZCZZGPJAT-CVEARBPZSA-N 2 0 356.511 0.163 10 0 FCAERP COCC(COC)N1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000519109109 490961586 /nfs/dbraw/zinc/96/15/86/490961586.db2.gz PUEPWPQFOCWFIV-UHFFFAOYSA-N 2 0 350.463 0.714 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000553941277 491166029 /nfs/dbraw/zinc/16/60/29/491166029.db2.gz ORDFKMNBHCUYLF-UHFFFAOYSA-N 2 0 356.511 0.402 10 0 FCAERP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000569720514 491185706 /nfs/dbraw/zinc/18/57/06/491185706.db2.gz QNURXHRCNDYTHM-JYJNAYRXSA-N 2 0 354.495 0.202 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000572649074 491384578 /nfs/dbraw/zinc/38/45/78/491384578.db2.gz ZUPLMSXVEBMRSB-HKUYNNGSSA-N 2 0 352.523 0.535 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)NC2(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CCC2)C1 ZINC000565550182 491384718 /nfs/dbraw/zinc/38/47/18/491384718.db2.gz QKMXODJLHHFQHV-HZPDHXFCSA-N 2 0 350.507 0.825 10 0 FCAERP COc1ccccc1N1CC[C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000565712223 491394787 /nfs/dbraw/zinc/39/47/87/491394787.db2.gz NWBQETLMFIGLIP-MSOLQXFVSA-N 2 0 362.518 0.719 10 0 FCAERP CCN(C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000668369245 493341901 /nfs/dbraw/zinc/34/19/01/493341901.db2.gz ROJMGADTIPRBQQ-ROUUACIJSA-N 2 0 360.502 0.828 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000558220114 491421089 /nfs/dbraw/zinc/42/10/89/491421089.db2.gz ZINGMONWLULKJC-UHFFFAOYSA-N 2 0 352.454 0.914 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000558245900 491422295 /nfs/dbraw/zinc/42/22/95/491422295.db2.gz LCHDEJIEVWDDTJ-ROUUACIJSA-N 2 0 352.523 0.628 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)CC1 ZINC000558630002 491439054 /nfs/dbraw/zinc/43/90/54/491439054.db2.gz PQXUGZRKHYXGMX-WOJBJXKFSA-N 2 0 370.497 0.788 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000566508503 491449849 /nfs/dbraw/zinc/44/98/49/491449849.db2.gz JTLSFKXYFJNALB-USXIJHARSA-N 2 0 365.522 0.746 10 0 FCAERP Cn1ccnc1CN1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1=O ZINC000574216517 491481830 /nfs/dbraw/zinc/48/18/30/491481830.db2.gz ITVQRYZZGBKRDS-OAHLLOKOSA-N 2 0 373.461 0.099 10 0 FCAERP C[NH+](C)CCOCCNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000574358218 491491367 /nfs/dbraw/zinc/49/13/67/491491367.db2.gz QGLZDOBJSOHQAV-MRXNPFEDSA-N 2 0 354.495 0.158 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000567250330 491494756 /nfs/dbraw/zinc/49/47/56/491494756.db2.gz HQSCQHWSXXRJDE-QGZVFWFLSA-N 2 0 365.522 0.855 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOc2ccc(C(F)(F)F)cn2)CC1 ZINC000574512371 491501864 /nfs/dbraw/zinc/50/18/64/491501864.db2.gz MCCRKZVLBRXEGG-AWEZNQCLSA-N 2 0 362.396 0.677 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000559834806 491503700 /nfs/dbraw/zinc/50/37/00/491503700.db2.gz KFXMXGHLIYFDAY-UHFFFAOYSA-N 2 0 354.495 0.204 10 0 FCAERP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000567573326 491514751 /nfs/dbraw/zinc/51/47/51/491514751.db2.gz YCWJVDGGSBKQGN-IBGZPJMESA-N 2 0 350.507 0.827 10 0 FCAERP COC(=O)CCN1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C[C@H]1C ZINC000567589952 491515940 /nfs/dbraw/zinc/51/59/40/491515940.db2.gz KRLNBCPFSSVTMK-NPNMTCQASA-N 2 0 367.490 0.615 10 0 FCAERP CC(C)[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)N1CC[NH+](C)CC1 ZINC000560056573 491518093 /nfs/dbraw/zinc/51/80/93/491518093.db2.gz WPRQWMKIAYOHMN-AXVVYFOYSA-N 2 0 366.550 0.907 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000574818708 491522207 /nfs/dbraw/zinc/52/22/07/491522207.db2.gz ZMCGURYNSZKXRY-UHFFFAOYSA-N 2 0 356.511 0.448 10 0 FCAERP 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ZINC000567835183 491533508 /nfs/dbraw/zinc/53/35/08/491533508.db2.gz DBLOSIJHJJJPEL-BRWVUGGUSA-N 2 0 350.507 0.955 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000567910382 491540709 /nfs/dbraw/zinc/54/07/09/491540709.db2.gz RXZNOADKGAEEDB-GOSISDBHSA-N 2 0 374.533 0.590 10 0 FCAERP C[C@H](NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000561028305 491571219 /nfs/dbraw/zinc/57/12/19/491571219.db2.gz UMLAJPZSETWFOP-UQPPLGOBSA-N 2 0 350.507 0.990 10 0 FCAERP CCN(C(=O)C(=O)NCCc1cn2ccccc2n1)[C@H]1CC[N@H+](CC)C1 ZINC000668422195 493351202 /nfs/dbraw/zinc/35/12/02/493351202.db2.gz SVUFJVSJWAZTFL-INIZCTEOSA-N 2 0 357.458 0.936 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000561122258 491576506 /nfs/dbraw/zinc/57/65/06/491576506.db2.gz UQLPCNHJCGELMC-GJZGRUSLSA-N 2 0 356.511 0.306 10 0 FCAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000561122967 491577037 /nfs/dbraw/zinc/57/70/37/491577037.db2.gz 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370.457 0.795 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000611650160 491865491 /nfs/dbraw/zinc/86/54/91/491865491.db2.gz QGKVFGHEBLHYGE-DJIMGWMZSA-N 2 0 366.506 0.155 10 0 FCAERP COC(=O)CCN1CC[C@H]([NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000600753909 491880388 /nfs/dbraw/zinc/88/03/88/491880388.db2.gz KSBBNAIERWYNFS-CVEARBPZSA-N 2 0 353.463 0.241 10 0 FCAERP COC(=O)C1CCN(C(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000600763415 491880878 /nfs/dbraw/zinc/88/08/78/491880878.db2.gz YEHKBZRZXDNWPH-QGZVFWFLSA-N 2 0 367.490 0.489 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000612037338 491893855 /nfs/dbraw/zinc/89/38/55/491893855.db2.gz JZUPTNAEJJFZQX-YQQAZPJKSA-N 2 0 350.507 0.966 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612591797 491935748 /nfs/dbraw/zinc/93/57/48/491935748.db2.gz JGIMKNLNNOOQDB-HOTGVXAUSA-N 2 0 366.506 0.345 10 0 FCAERP 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CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000647562297 492309523 /nfs/dbraw/zinc/30/95/23/492309523.db2.gz AIUXCVWDUNPXOK-INIZCTEOSA-N 2 0 366.506 0.110 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000627481150 492317161 /nfs/dbraw/zinc/31/71/61/492317161.db2.gz ZNQVJBIOAHYVPX-FUHWJXTLSA-N 2 0 358.486 0.978 10 0 FCAERP CN(C(=O)C(=O)NCCOCCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627487047 492319698 /nfs/dbraw/zinc/31/96/98/492319698.db2.gz SQGCRZUVDQUMJA-KRWDZBQOSA-N 2 0 362.474 0.201 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000627500867 492324751 /nfs/dbraw/zinc/32/47/51/492324751.db2.gz PHIQEHZILVZPSH-GVDBMIGSSA-N 2 0 350.507 0.824 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000641980112 492325394 /nfs/dbraw/zinc/32/53/94/492325394.db2.gz SPFGEUMOTSPBEW-AWEZNQCLSA-N 2 0 355.389 0.919 10 0 FCAERP C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000654662532 492336156 /nfs/dbraw/zinc/33/61/56/492336156.db2.gz SGLCGGMCLGHJBB-ZJPYXAASSA-N 2 0 351.539 0.994 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)N(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)C1 ZINC000654683603 492338745 /nfs/dbraw/zinc/33/87/45/492338745.db2.gz IXWXINAAZSLQPD-HZPDHXFCSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000642305592 492349269 /nfs/dbraw/zinc/34/92/69/492349269.db2.gz NBARFBQTAARCPZ-QAPCUYQASA-N 2 0 374.485 0.473 10 0 FCAERP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ccn(CC[NH+](C)C)n3)CC2)CC1 ZINC000654999735 492390328 /nfs/dbraw/zinc/39/03/28/492390328.db2.gz DVPWQSIBMMIUAI-CALCHBBNSA-N 2 0 362.522 0.733 10 0 FCAERP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000642894621 492398063 /nfs/dbraw/zinc/39/80/63/492398063.db2.gz STEOUYPMCFAQMO-KRWDZBQOSA-N 2 0 361.490 0.667 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000642928882 492404468 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ZINC000650642506 492657524 /nfs/dbraw/zinc/65/75/24/492657524.db2.gz FDGFUOYRXRLGEF-HZPDHXFCSA-N 2 0 353.511 0.522 10 0 FCAERP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629590511 492658012 /nfs/dbraw/zinc/65/80/12/492658012.db2.gz JNBXIWAGSHJUFC-RHSMWYFYSA-N 2 0 366.506 0.202 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000629786465 492671815 /nfs/dbraw/zinc/67/18/15/492671815.db2.gz CHGJIRVQJGHBCQ-KDURUIRLSA-N 2 0 357.458 0.188 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000629792381 492673647 /nfs/dbraw/zinc/67/36/47/492673647.db2.gz MPGBGHATQIOSJJ-UHFFFAOYSA-N 2 0 356.511 0.260 10 0 FCAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629793474 492674293 /nfs/dbraw/zinc/67/42/93/492674293.db2.gz HIHFWKHMTCFTEL-ZMYBRWDISA-N 2 0 350.507 0.633 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000629822896 492688606 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FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000631910108 492876429 /nfs/dbraw/zinc/87/64/29/492876429.db2.gz XKRDSTQRLLCGHB-UONOGXRCSA-N 2 0 359.517 0.793 10 0 FCAERP CC[C@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000631912237 492877703 /nfs/dbraw/zinc/87/77/03/492877703.db2.gz YTJAVBSUJOFJDS-QZTJIDSGSA-N 2 0 367.515 0.731 10 0 FCAERP CC(C)(CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000631911899 492877889 /nfs/dbraw/zinc/87/78/89/492877889.db2.gz UEEDFHKFPWRHTA-QGZVFWFLSA-N 2 0 367.515 0.731 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)CC1 ZINC000645232133 492881892 /nfs/dbraw/zinc/88/18/92/492881892.db2.gz ULUDEZAUKCJLNV-OAHLLOKOSA-N 2 0 369.510 0.249 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000652153905 492887903 /nfs/dbraw/zinc/88/79/03/492887903.db2.gz RQEPRRSWQARHSI-BFYDXBDKSA-N 2 0 354.495 0.493 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000631927522 492888836 /nfs/dbraw/zinc/88/88/36/492888836.db2.gz ASZOUMQOSLRFQM-KRWDZBQOSA-N 2 0 359.536 0.893 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C[C@H]1C[NH3+] ZINC000652170970 492890603 /nfs/dbraw/zinc/89/06/03/492890603.db2.gz YFQJQIKZUQMNPK-BSWAZPDLSA-N 2 0 354.495 0.369 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000658442102 492892397 /nfs/dbraw/zinc/89/23/97/492892397.db2.gz OQPYAROVHWRIDV-INIZCTEOSA-N 2 0 359.474 0.719 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000658442103 492892595 /nfs/dbraw/zinc/89/25/95/492892595.db2.gz OQPYAROVHWRIDV-MRXNPFEDSA-N 2 0 359.474 0.719 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000631950600 492897226 /nfs/dbraw/zinc/89/72/26/492897226.db2.gz LWAGKXNELSYMJY-PMPSAXMXSA-N 2 0 357.451 0.179 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000652287866 492906825 /nfs/dbraw/zinc/90/68/25/492906825.db2.gz LACPRFMJJGQILS-SFHVURJKSA-N 2 0 373.501 0.854 10 0 FCAERP C[C@H]1C[N@H+](CCCNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CCCO1 ZINC000645474923 492911501 /nfs/dbraw/zinc/91/15/01/492911501.db2.gz WPJIQLHOSIVCIB-KRWDZBQOSA-N 2 0 368.522 0.994 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000645621410 492945258 /nfs/dbraw/zinc/94/52/58/492945258.db2.gz UXVXLGOLJGJVKS-WMLDXEAASA-N 2 0 360.458 0.728 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652673281 492985244 /nfs/dbraw/zinc/98/52/44/492985244.db2.gz KBBUWTXFIQUJNG-BZUAXINKSA-N 2 0 368.522 0.435 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC000658624380 492985332 /nfs/dbraw/zinc/98/53/32/492985332.db2.gz NBIRMVLUNBHUGG-IKGGRYGDSA-N 2 0 368.522 0.497 10 0 FCAERP [NH3+]C[C@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(F)cc1 ZINC000646009523 492999891 /nfs/dbraw/zinc/99/98/91/492999891.db2.gz PJOUHMFNWCPXMO-MSOLQXFVSA-N 2 0 364.465 0.391 10 0 FCAERP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658677355 493004818 /nfs/dbraw/zinc/00/48/18/493004818.db2.gz AKHPREQXSGYQGP-MRXNPFEDSA-N 2 0 356.511 0.354 10 0 FCAERP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000652731267 493009381 /nfs/dbraw/zinc/00/93/81/493009381.db2.gz GHIGDLIEYYTFPG-QGZVFWFLSA-N 2 0 359.474 0.499 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000652733452 493010202 /nfs/dbraw/zinc/01/02/02/493010202.db2.gz HVZAVCJTJXERAK-UHFFFAOYSA-N 2 0 354.495 0.014 10 0 FCAERP O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626805308 493022361 /nfs/dbraw/zinc/02/23/61/493022361.db2.gz GRWQYOXDHPASRC-UHFFFAOYSA-N 2 0 355.398 0.152 10 0 FCAERP C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C1=CC[N@H+](C)CC1 ZINC000626820255 493027061 /nfs/dbraw/zinc/02/70/61/493027061.db2.gz YDBOVXGQWWVTPF-CYBMUJFWSA-N 2 0 358.442 0.874 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000646291579 493038225 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FCAERP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000653119890 493073735 /nfs/dbraw/zinc/07/37/35/493073735.db2.gz ZZZVUUYTFBNUBS-QGZVFWFLSA-N 2 0 361.490 0.730 10 0 FCAERP C[NH+](C)CCOc1cc(CNC(=O)NC2(C[NH3+])CCOCC2)ccn1 ZINC000627006454 493079314 /nfs/dbraw/zinc/07/93/14/493079314.db2.gz FHLCPXCIFVBTFX-UHFFFAOYSA-N 2 0 351.451 0.329 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000627064862 493085298 /nfs/dbraw/zinc/08/52/98/493085298.db2.gz YPJPFOSDVIBMDL-UHFFFAOYSA-N 2 0 367.538 0.568 10 0 FCAERP CC1(CNC(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CC[NH2+]CC1 ZINC000627083425 493086392 /nfs/dbraw/zinc/08/63/92/493086392.db2.gz HMEDUFPODNBYDC-KRWDZBQOSA-N 2 0 361.490 0.971 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]2COCC[NH2+]2)cc1F ZINC000627115823 493089739 /nfs/dbraw/zinc/08/97/39/493089739.db2.gz XOMXCOZZULIWMC-YCPHGPKFSA-N 2 0 366.437 0.567 10 0 FCAERP CCN(CC)C(=O)CN1CCCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627154760 493097454 /nfs/dbraw/zinc/09/74/54/493097454.db2.gz IRIQLLFTFWAHBG-UHFFFAOYSA-N 2 0 369.510 0.080 10 0 FCAERP C[NH2+]CCOCCNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000627177722 493101952 /nfs/dbraw/zinc/10/19/52/493101952.db2.gz KTITYPUEXDVMQQ-CALCHBBNSA-N 2 0 355.527 0.422 10 0 FCAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 ZINC000633096745 493123611 /nfs/dbraw/zinc/12/36/11/493123611.db2.gz AMMAIUXWFZGXKQ-DLBZAZTESA-N 2 0 350.507 0.907 10 0 FCAERP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000633106200 493129281 /nfs/dbraw/zinc/12/92/81/493129281.db2.gz RKAPRKVLVSDNJW-MRXNPFEDSA-N 2 0 350.507 0.920 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633108468 493130054 /nfs/dbraw/zinc/13/00/54/493130054.db2.gz FTZZIKPUNCSMMZ-IYBDPMFKSA-N 2 0 364.490 0.053 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000627292295 493136577 /nfs/dbraw/zinc/13/65/77/493136577.db2.gz QPXCICRFVMUZEX-IAGOWNOFSA-N 2 0 358.486 0.676 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000627292294 493136899 /nfs/dbraw/zinc/13/68/99/493136899.db2.gz QPXCICRFVMUZEX-DLBZAZTESA-N 2 0 358.486 0.676 10 0 FCAERP O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659072011 493138759 /nfs/dbraw/zinc/13/87/59/493138759.db2.gz VKJNBECIKFWITJ-QGZVFWFLSA-N 2 0 360.458 0.888 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000627297699 493140253 /nfs/dbraw/zinc/14/02/53/493140253.db2.gz QWWBHDMVSOEXSZ-IAGOWNOFSA-N 2 0 362.474 0.242 10 0 FCAERP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)[C@@H]1c1ccccc1 ZINC000627297605 493140476 /nfs/dbraw/zinc/14/04/76/493140476.db2.gz OFNVRHUKKUOEKF-CVEARBPZSA-N 2 0 360.458 0.172 10 0 FCAERP C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659082028 493144983 /nfs/dbraw/zinc/14/49/83/493144983.db2.gz ZHJNZHUUYPCNRS-INIZCTEOSA-N 2 0 362.474 0.990 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627311783 493146031 /nfs/dbraw/zinc/14/60/31/493146031.db2.gz HLNQEGQYHDHOHC-GASCZTMLSA-N 2 0 356.511 0.341 10 0 FCAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627320337 493150971 /nfs/dbraw/zinc/15/09/71/493150971.db2.gz ZBVDOVHKHALRQV-ZYSHUDEJSA-N 2 0 350.507 0.825 10 0 FCAERP CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[NH+]1CCCCCC1 ZINC000627325150 493153647 /nfs/dbraw/zinc/15/36/47/493153647.db2.gz ZRFKTOHXPVSVKN-MRXNPFEDSA-N 2 0 368.522 0.627 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C[NH2+]1 ZINC000627325821 493154417 /nfs/dbraw/zinc/15/44/17/493154417.db2.gz VNPFXXXEFLCMAB-GOEBONIOSA-N 2 0 362.474 0.500 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1F ZINC000659104766 493155302 /nfs/dbraw/zinc/15/53/02/493155302.db2.gz RFKKUGIJAGCTBU-UHFFFAOYSA-N 2 0 364.421 0.573 10 0 FCAERP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659113773 493160326 /nfs/dbraw/zinc/16/03/26/493160326.db2.gz HJPMUDHILXMITD-INIZCTEOSA-N 2 0 362.474 0.914 10 0 FCAERP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000659114668 493161166 /nfs/dbraw/zinc/16/11/66/493161166.db2.gz QEMREGVSHAUHSQ-QGZVFWFLSA-N 2 0 362.474 0.914 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)c1ccc(F)cc1 ZINC000627357582 493174906 /nfs/dbraw/zinc/17/49/06/493174906.db2.gz KDTIQKLKHZTKPV-HNNXBMFYSA-N 2 0 366.437 0.169 10 0 FCAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647179645 493174976 /nfs/dbraw/zinc/17/49/76/493174976.db2.gz JUEROOPDYNJYNV-AWEZNQCLSA-N 2 0 372.510 0.836 10 0 FCAERP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627357047 493175060 /nfs/dbraw/zinc/17/50/60/493175060.db2.gz WHBNIWATWHCOHG-UOVPBQLFSA-N 2 0 358.486 0.880 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659440719 493178031 /nfs/dbraw/zinc/17/80/31/493178031.db2.gz JVEAJRVHXBQVSB-OAHLLOKOSA-N 2 0 358.446 0.613 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627366374 493180975 /nfs/dbraw/zinc/18/09/75/493180975.db2.gz QHCCINLCPXEUBQ-BPQIPLTHSA-N 2 0 358.486 0.881 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627366875 493181337 /nfs/dbraw/zinc/18/13/37/493181337.db2.gz DQQUSMLKAYKOQH-XYVMCAHJSA-N 2 0 358.486 0.880 10 0 FCAERP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659464502 493186500 /nfs/dbraw/zinc/18/65/00/493186500.db2.gz JOAKTZZYXFPLNG-HUUCEWRRSA-N 2 0 371.501 0.694 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000659318706 493190219 /nfs/dbraw/zinc/19/02/19/493190219.db2.gz UXBFVACPOJIUNL-CYBMUJFWSA-N 2 0 364.437 0.168 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[NH2+]1 ZINC000627385441 493193679 /nfs/dbraw/zinc/19/36/79/493193679.db2.gz LDIYOLLCXMUJSS-HUUCEWRRSA-N 2 0 352.479 0.004 10 0 FCAERP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000627387953 493195715 /nfs/dbraw/zinc/19/57/15/493195715.db2.gz GBUJWJRXPAUBOO-QGZVFWFLSA-N 2 0 358.486 0.808 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000627390282 493197220 /nfs/dbraw/zinc/19/72/20/493197220.db2.gz ISJJUJJSNSGVIA-UHFFFAOYSA-N 2 0 374.485 0.391 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627392915 493200563 /nfs/dbraw/zinc/20/05/63/493200563.db2.gz JHUOMDIHWMUANC-ZIAGYGMSSA-N 2 0 354.495 0.249 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000627406678 493205301 /nfs/dbraw/zinc/20/53/01/493205301.db2.gz OFLWUGUNYFEDRP-MRXNPFEDSA-N 2 0 366.506 0.206 10 0 FCAERP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000659581440 493215716 /nfs/dbraw/zinc/21/57/16/493215716.db2.gz LZONGXPSLDTUGA-BSDSXHPESA-N 2 0 362.449 0.732 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000659626468 493221786 /nfs/dbraw/zinc/22/17/86/493221786.db2.gz IVZJJMIPHBUADQ-GOEBONIOSA-N 2 0 353.511 0.888 10 0 FCAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659675705 493245755 /nfs/dbraw/zinc/24/57/55/493245755.db2.gz SOHHGXXHRQYPCT-XVTSOASTSA-N 2 0 350.507 0.871 10 0 FCAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659681412 493249241 /nfs/dbraw/zinc/24/92/41/493249241.db2.gz UHZYRGUFEAQUBD-IUGDKWEMSA-N 2 0 350.507 0.809 10 0 FCAERP CC(C)[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[NH+]1CCCCCC1 ZINC000659685105 493252158 /nfs/dbraw/zinc/25/21/58/493252158.db2.gz MUFLKLMJMNEEBM-KOHRHEQBSA-N 2 0 350.507 0.871 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000659689482 493254137 /nfs/dbraw/zinc/25/41/37/493254137.db2.gz BDJILHXEARYFEB-UHFFFAOYSA-N 2 0 370.497 0.759 10 0 FCAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659690615 493255135 /nfs/dbraw/zinc/25/51/35/493255135.db2.gz PCVHIASHPDLNRG-BQTBQCLESA-N 2 0 371.485 0.591 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC[C@H]1F ZINC000659698481 493259238 /nfs/dbraw/zinc/25/92/38/493259238.db2.gz OBRLNHAQMYZYBX-BRWVUGGUSA-N 2 0 362.449 0.837 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000659698472 493259353 /nfs/dbraw/zinc/25/93/53/493259353.db2.gz NXISSLITJSXEBX-RBSFLKMASA-N 2 0 354.401 0.442 10 0 FCAERP C[C@H]1C[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000659706161 493264377 /nfs/dbraw/zinc/26/43/77/493264377.db2.gz FDZNGSHNVSUWPS-UVYBKSOCSA-N 2 0 356.470 0.634 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000659709630 493266939 /nfs/dbraw/zinc/26/69/39/493266939.db2.gz GMYLZNYUDXJBJV-INIZCTEOSA-N 2 0 361.490 0.667 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000659727219 493274496 /nfs/dbraw/zinc/27/44/96/493274496.db2.gz IZEHCIBGCDVORV-QBPKDAKJSA-N 2 0 366.506 0.060 10 0 FCAERP CO[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCOC1 ZINC000667680611 493296272 /nfs/dbraw/zinc/29/62/72/493296272.db2.gz LYMIIGMGCSKWCL-FUHWJXTLSA-N 2 0 362.474 0.761 10 0 FCAERP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000673446411 493330061 /nfs/dbraw/zinc/33/00/61/493330061.db2.gz QPMSEUVOOFTBDG-XHSDSOJGSA-N 2 0 350.507 0.966 10 0 FCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668504323 493366907 /nfs/dbraw/zinc/36/69/07/493366907.db2.gz SHWWDJWTZYFIDM-SJORKVTESA-N 2 0 368.522 0.546 10 0 FCAERP C[NH+](C/C=C\C[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000660648768 493370069 /nfs/dbraw/zinc/37/00/69/493370069.db2.gz WZVGTUKSTTXHHO-POZRZFPSSA-N 2 0 364.534 0.352 10 0 FCAERP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C/C=C/CN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000660826117 493382678 /nfs/dbraw/zinc/38/26/78/493382678.db2.gz ZFUCPCILDCMBAC-MCBGNAOOSA-N 2 0 368.566 0.316 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](CCOC)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000668633205 493387408 /nfs/dbraw/zinc/38/74/08/493387408.db2.gz HOZYULQESYVGIG-MRXNPFEDSA-N 2 0 354.495 0.156 10 0 FCAERP O=C(C[NH2+][C@H](C1CC1)C1(CO)CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000661081928 493407942 /nfs/dbraw/zinc/40/79/42/493407942.db2.gz JCUUBVHMYKGFOB-LJQANCHMSA-N 2 0 365.518 0.887 10 0 FCAERP CCN(C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000668827106 493416961 /nfs/dbraw/zinc/41/69/61/493416961.db2.gz QFFJZYBQDBRINX-MRXNPFEDSA-N 2 0 366.506 0.300 10 0 FCAERP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000661222420 493419705 /nfs/dbraw/zinc/41/97/05/493419705.db2.gz VTQWHKJFQQLCGG-BMGDILEWSA-N 2 0 353.507 0.885 10 0 FCAERP CC[NH+]1CCC(NC(=O)CN2CCN(c3cc[nH+]cc3OC)CC2)CC1 ZINC000684627699 493423881 /nfs/dbraw/zinc/42/38/81/493423881.db2.gz GMZDNYXNTFKQES-UHFFFAOYSA-N 2 0 361.490 0.813 10 0 FCAERP CCN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000668992738 493448746 /nfs/dbraw/zinc/44/87/46/493448746.db2.gz VLKLRVHUAYPBMQ-MRXNPFEDSA-N 2 0 367.538 0.071 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000669038306 493456564 /nfs/dbraw/zinc/45/65/64/493456564.db2.gz IERYBPMPUHLTBJ-NVXWUHKLSA-N 2 0 366.506 0.156 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)[C@@H](C)C1 ZINC000685310630 493474374 /nfs/dbraw/zinc/47/43/74/493474374.db2.gz XYGVWEVIWCDFGC-WTTBNOFXSA-N 2 0 350.507 0.774 10 0 FCAERP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CCO1 ZINC000669502156 493508206 /nfs/dbraw/zinc/50/82/06/493508206.db2.gz IIJFIRAWCTUWJK-SJORKVTESA-N 2 0 367.538 0.694 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000676091416 493523581 /nfs/dbraw/zinc/52/35/81/493523581.db2.gz KMNSBJPXGINKME-MRXNPFEDSA-N 2 0 362.478 0.470 10 0 FCAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000676097531 493524525 /nfs/dbraw/zinc/52/45/25/493524525.db2.gz RMMAPPQLCVWCRH-INIZCTEOSA-N 2 0 352.398 0.679 10 0 FCAERP Cn1cc(CCC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000662577526 493526574 /nfs/dbraw/zinc/52/65/74/493526574.db2.gz XQIWWQCCQDFYHT-UHFFFAOYSA-N 2 0 356.474 0.857 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662711694 493533788 /nfs/dbraw/zinc/53/37/88/493533788.db2.gz MPJYDLNDKMAJIR-HUUCEWRRSA-N 2 0 350.467 0.433 10 0 FCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662714826 493534329 /nfs/dbraw/zinc/53/43/29/493534329.db2.gz CPHKJJSDPUSQHX-UHFFFAOYSA-N 2 0 351.451 0.495 10 0 FCAERP [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000662730360 493535382 /nfs/dbraw/zinc/53/53/82/493535382.db2.gz DWAFHNLLYZFIDT-SJORKVTESA-N 2 0 360.458 0.815 10 0 FCAERP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662832985 493545291 /nfs/dbraw/zinc/54/52/91/493545291.db2.gz LGZKXUROLQLSEI-HZPDHXFCSA-N 2 0 362.478 0.530 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000662866378 493548401 /nfs/dbraw/zinc/54/84/01/493548401.db2.gz BECLXRNVHAYTBD-BQFCYCMXSA-N 2 0 362.474 0.356 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]2C[NH2+]CCO2)cc1F ZINC000662870026 493548744 /nfs/dbraw/zinc/54/87/44/493548744.db2.gz SWCARDSPEVDILS-DZKIICNBSA-N 2 0 351.422 0.775 10 0 FCAERP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662921433 493553391 /nfs/dbraw/zinc/55/33/91/493553391.db2.gz AAPWIKZKEFYVMW-QGZVFWFLSA-N 2 0 350.507 0.779 10 0 FCAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662945406 493558765 /nfs/dbraw/zinc/55/87/65/493558765.db2.gz BDAFLAIBHVPMHQ-ZIAGYGMSSA-N 2 0 356.467 0.536 10 0 FCAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662951898 493559999 /nfs/dbraw/zinc/55/99/99/493559999.db2.gz PLZZGYCTZZJVGZ-JYJNAYRXSA-N 2 0 354.495 0.284 10 0 FCAERP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016195 493566592 /nfs/dbraw/zinc/56/65/92/493566592.db2.gz BJYPRUOCMLVDEQ-CABCVRRESA-N 2 0 364.494 0.278 10 0 FCAERP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016648 493566822 /nfs/dbraw/zinc/56/68/22/493566822.db2.gz HKMDKXYEPFYPAE-GQIGUUNPSA-N 2 0 372.517 0.915 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000663676375 493611456 /nfs/dbraw/zinc/61/14/56/493611456.db2.gz KBMZIARFYMMLDB-UHFFFAOYSA-N 2 0 370.519 0.773 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cn2)CC1 ZINC000677863439 493620113 /nfs/dbraw/zinc/62/01/13/493620113.db2.gz YLXGLXXTGHPDEA-GOSISDBHSA-N 2 0 372.517 0.230 10 0 FCAERP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000671032276 493624891 /nfs/dbraw/zinc/62/48/91/493624891.db2.gz ZVVIRMADHYQJMR-UHFFFAOYSA-N 2 0 368.522 0.548 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000664473008 493661971 /nfs/dbraw/zinc/66/19/71/493661971.db2.gz JMQDQCSVIPGXIP-MSOLQXFVSA-N 3 0 369.554 0.547 10 0 FCAERP C[NH+](C)CCOCCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000664731791 493680357 /nfs/dbraw/zinc/68/03/57/493680357.db2.gz KDVBBMBLBAATKL-UHFFFAOYSA-N 2 0 356.511 0.755 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000665287108 493707977 /nfs/dbraw/zinc/70/79/77/493707977.db2.gz BREGFAXLJZFHLE-HZPDHXFCSA-N 2 0 359.536 0.922 10 0 FCAERP CC[N@H+](CCO)CCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665460878 493716033 /nfs/dbraw/zinc/71/60/33/493716033.db2.gz XXRJXPNXDUMFIE-UHFFFAOYSA-N 2 0 356.511 0.491 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000681169510 493748127 /nfs/dbraw/zinc/74/81/27/493748127.db2.gz ZWFVVHAVELSHRZ-KRWDZBQOSA-N 2 0 373.501 0.977 10 0 FCAERP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000666214162 493762298 /nfs/dbraw/zinc/76/22/98/493762298.db2.gz SNYSEHMWCMWKTR-UHFFFAOYSA-N 2 0 359.434 0.751 10 0 FCAERP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CC1(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)COC1 ZINC000247184109 534215714 /nfs/dbraw/zinc/21/57/14/534215714.db2.gz JLJZLTCDNRCMMJ-FZKCQIBNSA-N 2 0 366.506 0.175 10 0 FCAERP O=C(C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000410438652 534807933 /nfs/dbraw/zinc/80/79/33/534807933.db2.gz FEGLOPWLQJODIO-QZTJIDSGSA-N 2 0 360.502 0.936 10 0 FCAERP O=C(C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410438648 534808583 /nfs/dbraw/zinc/80/85/83/534808583.db2.gz FEGLOPWLQJODIO-MSOLQXFVSA-N 2 0 360.502 0.936 10 0 FCAERP CC[C@@H](C(=O)NCC1(NC(=O)[C@H](CC)[NH+](C)C)CCOCC1)[NH+](C)C ZINC000413462140 529281825 /nfs/dbraw/zinc/28/18/25/529281825.db2.gz WQYUYSYNGAWYMB-GJZGRUSLSA-N 2 0 356.511 0.448 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419911867 535856194 /nfs/dbraw/zinc/85/61/94/535856194.db2.gz KGIKRDDYRWYIEO-IRXDYDNUSA-N 2 0 362.474 0.372 10 0 FCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCC[NH2+]Cc3cccnc3)CC[C@H]21 ZINC000419844703 536376236 /nfs/dbraw/zinc/37/62/36/536376236.db2.gz CQHOXNMKYSRSQC-QZTJIDSGSA-N 2 0 373.501 0.620 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000125408043 546541977 /nfs/dbraw/zinc/54/19/77/546541977.db2.gz MLJRTOJLBCOVBK-UHFFFAOYSA-N 2 0 350.467 0.375 10 0 FCAERP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)C[NH+]1CCCC1 ZINC000125961092 546543890 /nfs/dbraw/zinc/54/38/90/546543890.db2.gz REMZVHMWVNVCSJ-CQSZACIVSA-N 2 0 350.467 0.231 10 0 FCAERP C[C@H](CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)C[NH+]1CCCC1 ZINC000551470090 547147411 /nfs/dbraw/zinc/14/74/11/547147411.db2.gz JIYQMFCTHYQCAZ-KLAILNCOSA-N 2 0 350.507 0.968 10 0 FCAERP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000552689923 547225129 /nfs/dbraw/zinc/22/51/29/547225129.db2.gz JZLKKZXCNSUVPW-KRWDZBQOSA-N 2 0 350.507 0.991 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000552934870 547240721 /nfs/dbraw/zinc/24/07/21/547240721.db2.gz QVOBWMPRGJICDL-HRCADAONSA-N 2 0 354.495 0.155 10 0 FCAERP C[C@H]1CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1CC(C)(C)O ZINC000682049241 547393874 /nfs/dbraw/zinc/39/38/74/547393874.db2.gz FRMAOSJEXLSQAP-AWEZNQCLSA-N 2 0 352.483 0.754 10 0 FCAERP COC(=O)[C@H]1[C@H](C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1(F)F ZINC000894987491 664995504 /nfs/dbraw/zinc/99/55/04/664995504.db2.gz SVMJXVIFYPTADN-UONOGXRCSA-N 2 0 361.433 0.427 10 0 FCAERP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000925173774 665178238 /nfs/dbraw/zinc/17/82/38/665178238.db2.gz ZINAZOOJDNMQAE-ZNMIVQPWSA-N 2 0 356.536 0.711 10 0 FCAERP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000925173771 665178272 /nfs/dbraw/zinc/17/82/72/665178272.db2.gz ZINAZOOJDNMQAE-RRFJBIMHSA-N 2 0 356.536 0.711 10 0 FCAERP CCN1CC[C@@H]1CNC(=O)C(=O)NCCN1CCc2sccc2C1 ZINC000897536391 665312730 /nfs/dbraw/zinc/31/27/30/665312730.db2.gz UKRCITTVXFUIKY-CQSZACIVSA-N 2 0 350.488 0.433 10 0 FCAERP CN1CC[N@H+](C)CC(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)C1 ZINC000906487398 666054399 /nfs/dbraw/zinc/05/43/99/666054399.db2.gz CJABMYRMWQORCS-UHFFFAOYSA-N 2 0 356.511 0.212 10 0 FCAERP CN1CC[NH+](CC2(C)CCN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)CC2)CC1 ZINC000907356091 666125216 /nfs/dbraw/zinc/12/52/16/666125216.db2.gz VWWBIJVUGAYHRF-LPHOPBHVSA-N 2 0 352.523 0.318 10 0 FCAERP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C[C@@]3(O)CCC[N@H+](C)C3)CC2)CC1 ZINC000907378434 666126707 /nfs/dbraw/zinc/12/67/07/666126707.db2.gz AXIIFNSHAZOHHM-SCTDSRPQSA-N 2 0 352.523 0.508 10 0 FCAERP CC(C)[NH+]1CCN(CCCC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)CC1 ZINC000907780338 666161408 /nfs/dbraw/zinc/16/14/08/666161408.db2.gz APOOQEAGWYJXSL-IBGZPJMESA-N 2 0 354.539 0.708 10 0 FCAERP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CCSC1 ZINC000921312091 666434037 /nfs/dbraw/zinc/43/40/37/666434037.db2.gz OXWHQAYBLPKVSR-DOTOQJQBSA-N 2 0 356.536 0.976 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000941103393 666580799 /nfs/dbraw/zinc/58/07/99/666580799.db2.gz XSKACBSDRJJISC-IXDOHACOSA-N 2 0 350.507 0.729 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)C[NH+](C)C ZINC000929780868 666680346 /nfs/dbraw/zinc/68/03/46/666680346.db2.gz HRFCYWYLZWUVMK-HZPDHXFCSA-N 2 0 356.511 0.306 10 0 FCAERP C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000914017346 666683512 /nfs/dbraw/zinc/68/35/12/666683512.db2.gz XKGWYCGZTMSTAT-DLBZAZTESA-N 2 0 369.579 0.891 10 0 FCAERP CCO[C@@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C[NH+](C)C ZINC000917000861 667043513 /nfs/dbraw/zinc/04/35/13/667043513.db2.gz YQDLGYVIJRWGHQ-INIZCTEOSA-N 2 0 356.511 0.897 10 0 FCAERP CCO[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C[NH+](C)C ZINC000918906410 667140349 /nfs/dbraw/zinc/14/03/49/667140349.db2.gz OBZKDYWOCYSDPW-DOTOQJQBSA-N 2 0 355.527 0.421 10 0 FCAERP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000921668729 667215977 /nfs/dbraw/zinc/21/59/77/667215977.db2.gz WLWGIVZCCAAQJD-IAGOWNOFSA-N 2 0 369.579 0.891 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@@H+]1C ZINC000922446067 667653490 /nfs/dbraw/zinc/65/34/90/667653490.db2.gz CUHQNMKQHLCUST-SDKNFDLMSA-N 2 0 351.495 0.462 10 0 FCAERP O=S(=O)(NC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1)c1cccs1 ZINC000923307908 667823241 /nfs/dbraw/zinc/82/32/41/667823241.db2.gz XJTKWCQXPJBFOE-AWEZNQCLSA-N 2 0 371.528 0.869 10 0 FCAERP CCO[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)C[C@H]1C[NH3+] ZINC000923385928 667830273 /nfs/dbraw/zinc/83/02/73/667830273.db2.gz FYXMWOQZSDFGGG-QGPMSJSTSA-N 2 0 351.447 0.680 10 0 FCAERP CS(=O)(=O)c1ccc(-c2nc(CN3CC[NH2+]CC[NH2+]CC3)co2)cc1 ZINC000923460747 667837704 /nfs/dbraw/zinc/83/77/04/667837704.db2.gz UWGOLVRNIOYLNB-UHFFFAOYSA-N 2 0 364.471 0.740 10 0 FCAERP C[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[C@@H]1C[NH3+] ZINC000923498645 667841726 /nfs/dbraw/zinc/84/17/26/667841726.db2.gz IUFWBKLNRLWLCJ-HUUCEWRRSA-N 2 0 364.515 0.949 10 0 FCAERP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC1 ZINC000923516336 667842670 /nfs/dbraw/zinc/84/26/70/667842670.db2.gz ZKYRHJPWYHVMMD-RRFJBIMHSA-N 2 0 359.536 0.529 10 0 FCAERP CN(C[C@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000822791659 669295025 /nfs/dbraw/zinc/29/50/25/669295025.db2.gz VFVZVNFCGKTQPY-MRXNPFEDSA-N 2 0 358.527 0.784 10 0 FCAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc(Cl)n1 ZINC000831683315 669861630 /nfs/dbraw/zinc/86/16/30/669861630.db2.gz RVYIARBWHGRJMX-GJZGRUSLSA-N 2 0 351.882 0.939 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000843091691 670774978 /nfs/dbraw/zinc/77/49/78/670774978.db2.gz AFTKEBALNMUQLM-CZUORRHYSA-N 2 0 372.307 0.680 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000843112354 670775939 /nfs/dbraw/zinc/77/59/39/670775939.db2.gz HMEXDKGRIYOUHA-HZPDHXFCSA-N 2 0 372.307 0.680 10 0 FCAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867406358 671089700 /nfs/dbraw/zinc/08/97/00/671089700.db2.gz KMWAOKYWQGQGAV-OIISXLGYSA-N 2 0 350.507 0.728 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000867438544 671146931 /nfs/dbraw/zinc/14/69/31/671146931.db2.gz REKODZUCYWXVKH-GJZGRUSLSA-N 2 0 356.536 0.150 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000851685281 671457494 /nfs/dbraw/zinc/45/74/94/671457494.db2.gz RHTWADFGLGUKHE-HZPDHXFCSA-N 2 0 354.495 0.236 10 0 FCAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCS(=O)(=O)NC)C2)ccn1 ZINC000856592464 671693046 /nfs/dbraw/zinc/69/30/46/671693046.db2.gz UMAOJOHRBOQNQM-QGZVFWFLSA-N 2 0 370.519 0.926 10 0 FCAERP CC(C)N(CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)S(C)(=O)=O ZINC000903496857 675933929 /nfs/dbraw/zinc/93/39/29/675933929.db2.gz HOUSCHROQMRDMG-HUUCEWRRSA-N 2 0 362.540 0.079 10 0 FCAERP CS(=O)(=O)N1CCC[C@H](CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC000903508319 675935565 /nfs/dbraw/zinc/93/55/65/675935565.db2.gz CBDSFMWPTBTXSU-NXHRZFHOSA-N 2 0 370.563 0.559 10 0 FCAERP CN(C)C1(CS(=O)(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CC1 ZINC000903560985 675944502 /nfs/dbraw/zinc/94/45/02/675944502.db2.gz ALLSVDLSPKBZRY-IYBDPMFKSA-N 3 0 356.536 0.311 10 0 FCAERP C[NH+](C)CCCS(=O)(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000903564415 675945754 /nfs/dbraw/zinc/94/57/54/675945754.db2.gz STSVHQWYFWVKME-UHFFFAOYSA-N 2 0 354.520 0.463 10 0 FCAERP CCC([NH3+])(CC)CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861639195 671976795 /nfs/dbraw/zinc/97/67/95/671976795.db2.gz BHHATMVNXKJSDN-KGLIPLIRSA-N 2 0 353.467 0.471 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C[NH2+]1 ZINC000861689772 671981161 /nfs/dbraw/zinc/98/11/61/671981161.db2.gz GCNHKQUWAOLPHV-MXYBEHONSA-N 2 0 351.451 0.094 10 0 FCAERP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000861766205 671993270 /nfs/dbraw/zinc/99/32/70/671993270.db2.gz CRSICBKRVJLXHP-QFWMXSHPSA-N 2 0 364.412 0.714 10 0 FCAERP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903737422 675965482 /nfs/dbraw/zinc/96/54/82/675965482.db2.gz AFEFIFVRQDIDSP-QWHCGFSZSA-N 2 0 364.412 0.525 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C[C@H]1CC[NH3+] ZINC000903747146 675966867 /nfs/dbraw/zinc/96/68/67/675966867.db2.gz JXXZTVUKWGVJDA-ZACQAIPSSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000903750149 675967537 /nfs/dbraw/zinc/96/75/37/675967537.db2.gz HHAFYFSORIJDNE-FDYHWXHSSA-N 2 0 364.412 0.666 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903754907 675968057 /nfs/dbraw/zinc/96/80/57/675968057.db2.gz UVFHRTZTOAYTPN-XQQFMLRXSA-N 2 0 364.412 0.525 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C[C@H]1CC[NH3+] ZINC000903754258 675968072 /nfs/dbraw/zinc/96/80/72/675968072.db2.gz CSMLLURXTODDRZ-DJIMGWMZSA-N 2 0 350.507 0.620 10 0 FCAERP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)CC[C@H]21 ZINC000903759797 675969364 /nfs/dbraw/zinc/96/93/64/675969364.db2.gz QKITUYFLKXMHAN-UMSGYPCISA-N 2 0 362.396 0.277 10 0 FCAERP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903759247 675969387 /nfs/dbraw/zinc/96/93/87/675969387.db2.gz NGSNVMPGTZAREL-VXGBXAGGSA-N 2 0 350.385 0.277 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903762365 675969800 /nfs/dbraw/zinc/96/98/00/675969800.db2.gz ZMCIBBOVNYDGRS-IJLUTSLNSA-N 2 0 350.385 0.323 10 0 FCAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cnn1C ZINC000903873196 675979878 /nfs/dbraw/zinc/97/98/78/675979878.db2.gz MJMHZHWRKSLQNR-LSDHHAIUSA-N 2 0 357.524 0.107 10 0 FCAERP Cc1c(C[C@H](C[NH3+])CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cnn1C ZINC000903920932 675982896 /nfs/dbraw/zinc/98/28/96/675982896.db2.gz YARBLCOOEFFIHI-HIFRSBDPSA-N 2 0 362.444 0.272 10 0 FCAERP Cc1c(C[C@H](C[NH3+])CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cnn1C ZINC000903920934 675982971 /nfs/dbraw/zinc/98/29/71/675982971.db2.gz YARBLCOOEFFIHI-UKRRQHHQSA-N 2 0 362.444 0.272 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]23COC(=O)N2CCOC3)[C@H](C)C1 ZINC000866524449 672280222 /nfs/dbraw/zinc/28/02/22/672280222.db2.gz KKZROKWLKZFCMA-RYRKJORJSA-N 2 0 355.479 0.934 10 0 FCAERP CC[C@@H](CSC)N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867552638 672336009 /nfs/dbraw/zinc/33/60/09/672336009.db2.gz MNDCACJNUQWALJ-OAGGEKHMSA-N 2 0 372.579 0.784 10 0 FCAERP Cn1cnc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1Cl ZINC000867588466 672342869 /nfs/dbraw/zinc/34/28/69/672342869.db2.gz DQXOUQWKCNHGNR-VXGBXAGGSA-N 2 0 363.915 0.433 10 0 FCAERP C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867605488 672346957 /nfs/dbraw/zinc/34/69/57/672346957.db2.gz VTSDAPMDPWVKPA-ZHCJQAHYSA-N 2 0 352.523 0.687 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000867707127 672357469 /nfs/dbraw/zinc/35/74/69/672357469.db2.gz GKOKPFLAMHCKAA-JKSUJKDBSA-N 2 0 350.507 0.872 10 0 FCAERP COCCN(CC1CC[NH+](C)CC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000869761703 672449319 /nfs/dbraw/zinc/44/93/19/672449319.db2.gz ZQHWOJVQYCWKJK-UHFFFAOYSA-N 2 0 351.495 0.875 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)/C=C/COC2CCOCC2)C[C@H]1C[NH+](C)C ZINC000870025485 672462418 /nfs/dbraw/zinc/46/24/18/672462418.db2.gz UOYQRSRIYZQILH-SDKBWNRFSA-N 2 0 353.507 0.936 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000871817606 672575282 /nfs/dbraw/zinc/57/52/82/672575282.db2.gz DNEMMKXCDRBQNT-KRWDZBQOSA-N 2 0 372.579 0.856 10 0 FCAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000872146429 672594502 /nfs/dbraw/zinc/59/45/02/672594502.db2.gz NIBQCRNMRFOOKF-FXUDXRNXSA-N 2 0 351.447 0.439 10 0 FCAERP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872186280 672596932 /nfs/dbraw/zinc/59/69/32/672596932.db2.gz JXQSZNZNQPBBCW-OLZOCXBDSA-N 2 0 366.428 0.628 10 0 FCAERP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000872187117 672597307 /nfs/dbraw/zinc/59/73/07/672597307.db2.gz DBISXERXZDFONE-STQMWFEESA-N 2 0 364.412 0.525 10 0 FCAERP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000872194203 672602013 /nfs/dbraw/zinc/60/20/13/672602013.db2.gz FZKPENVTXCCJGQ-OAHLLOKOSA-N 2 0 352.479 0.040 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)CC[C@H]21 ZINC000872194800 672602893 /nfs/dbraw/zinc/60/28/93/672602893.db2.gz FNVBASUMPBHQAL-MROQNXINSA-N 2 0 362.396 0.135 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CCC1(C)C ZINC000872196001 672603725 /nfs/dbraw/zinc/60/37/25/672603725.db2.gz OBTNOWMJTRZTBY-NEPJUHHUSA-N 2 0 364.412 0.525 10 0 FCAERP O=S(=O)(Cc1ccon1)NCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925543798 673793572 /nfs/dbraw/zinc/79/35/72/673793572.db2.gz WLGYMVUWIHOSOF-CVEARBPZSA-N 2 0 356.492 0.852 10 0 FCAERP O=S1(=O)CCNC[C@@H]1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925788794 673801193 /nfs/dbraw/zinc/80/11/93/673801193.db2.gz MASAIFXQVHJRPH-YXJHDRRASA-N 2 0 365.499 0.609 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926301346 673821018 /nfs/dbraw/zinc/82/10/18/673821018.db2.gz YGOCUHLAEMWQJV-JKSUJKDBSA-N 2 0 350.507 0.907 10 0 FCAERP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000926400040 673829944 /nfs/dbraw/zinc/82/99/44/673829944.db2.gz XEWQOXIXJCPTHY-HZPDHXFCSA-N 2 0 350.507 0.907 10 0 FCAERP CCO[C@@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C[NH+](C)C ZINC000926853845 673846146 /nfs/dbraw/zinc/84/61/46/673846146.db2.gz HXYFAJFFFBBUGW-ZACQAIPSSA-N 3 0 357.543 0.334 10 0 FCAERP CCO[C@@H](CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)C[NH+](C)C ZINC000926855877 673846182 /nfs/dbraw/zinc/84/61/82/673846182.db2.gz XXPKTBMFQWYXJB-INIZCTEOSA-N 2 0 356.511 0.849 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927633323 673871602 /nfs/dbraw/zinc/87/16/02/673871602.db2.gz NTSIOWDUYVVGAN-QGZVFWFLSA-N 2 0 355.527 0.422 10 0 FCAERP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C[C@]2(C)C1 ZINC000929109077 673938811 /nfs/dbraw/zinc/93/88/11/673938811.db2.gz IMCQCZWZTAIWJE-YJYMSZOUSA-N 2 0 350.507 0.822 10 0 FCAERP C[NH+](C)CCCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)[C@H]1CCS(=O)(=O)C1 ZINC000900980136 675736960 /nfs/dbraw/zinc/73/69/60/675736960.db2.gz HUWJQLJRCBVYPF-ULQDDVLXSA-N 2 0 371.547 0.971 10 0 FCAERP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)CC1 ZINC000901146085 675763780 /nfs/dbraw/zinc/76/37/80/675763780.db2.gz PPQKLNREHKNEEZ-MJGOQNOKSA-N 2 0 352.523 0.459 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000897483366 1192181608 /nfs/dbraw/zinc/18/16/08/1192181608.db2.gz AQRYYLPTXZMQIU-JKSUJKDBSA-N 2 0 371.485 0.719 10 0 FCAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001719575509 1167957869 /nfs/dbraw/zinc/95/78/69/1167957869.db2.gz HILINOISFLZZFN-ZACQAIPSSA-N 2 0 350.507 0.587 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cc(CO)ccc2F)CC[N@@H+]1C ZINC001482731301 1192375028 /nfs/dbraw/zinc/37/50/28/1192375028.db2.gz RTONWNXNTQZISP-XYJFISCASA-N 2 0 367.465 0.615 10 0 FCAERP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266787074 1170521388 /nfs/dbraw/zinc/52/13/88/1170521388.db2.gz SSGISTHQPJBKSR-QLFBSQMISA-N 2 0 367.494 0.001 10 0 FCAERP CC(=O)NCCOCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266787441 1170523151 /nfs/dbraw/zinc/52/31/51/1170523151.db2.gz XYMSADMYCVZPDD-KBAYOESNSA-N 2 0 368.522 0.308 10 0 FCAERP CCNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001483008182 1192698005 /nfs/dbraw/zinc/69/80/05/1192698005.db2.gz HOLLSVNZSFYODL-ITNBDLGZSA-N 2 0 367.494 0.213 10 0 FCAERP CCN1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000897578395 1192818815 /nfs/dbraw/zinc/81/88/15/1192818815.db2.gz SFZYIUDMSVLYJW-RTBURBONSA-N 2 0 372.513 0.878 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000897649002 1192840191 /nfs/dbraw/zinc/84/01/91/1192840191.db2.gz MFPWPDGASYOQTB-CABCVRRESA-N 2 0 359.474 0.718 10 0 FCAERP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000898005814 1192853761 /nfs/dbraw/zinc/85/37/61/1192853761.db2.gz JHYSTRWNBYRYMG-ARFHVFGLSA-N 2 0 371.485 0.860 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC001719690898 1179412698 /nfs/dbraw/zinc/41/26/98/1179412698.db2.gz QQQWOFFIHZXRRD-TXPKVOOTSA-N 2 0 350.507 0.729 10 0 FCAERP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001719730923 1179820800 /nfs/dbraw/zinc/82/08/00/1179820800.db2.gz BRYFDZPEVAYJSP-BRWVUGGUSA-N 2 0 352.523 0.881 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCc2nnn(C(C)(C)C)n2)CC[N@@H+]1C ZINC001481231842 1182928012 /nfs/dbraw/zinc/92/80/12/1182928012.db2.gz RIHRRNPNNZCGTG-ZIAGYGMSSA-N 2 0 351.499 0.359 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001719847413 1186355249 /nfs/dbraw/zinc/35/52/49/1186355249.db2.gz NSHGITOGSQDLPF-YVSFHVDLSA-N 2 0 350.507 0.917 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC001268793233 1187781552 /nfs/dbraw/zinc/78/15/52/1187781552.db2.gz LCHMAQMFSOKXFB-YESZJQIVSA-N 2 0 368.522 0.402 10 0 FCAERP 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/nfs/dbraw/zinc/26/91/76/1201269176.db2.gz VNVDLPJQEJTDRH-IAGOWNOFSA-N 2 0 366.506 0.204 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000810345601 1202943089 /nfs/dbraw/zinc/94/30/89/1202943089.db2.gz YRZWUPADASLKPT-LJQANCHMSA-N 2 0 368.497 0.966 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000810411728 1202946860 /nfs/dbraw/zinc/94/68/60/1202946860.db2.gz UGEKGKHTOAWXQP-APWZRJJASA-N 2 0 370.513 0.722 10 0 FCAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000815704826 1203049582 /nfs/dbraw/zinc/04/95/82/1203049582.db2.gz QSFVMVOEAQMIOO-YJBOKZPZSA-N 2 0 371.485 0.539 10 0 FCAERP COc1cc(OCC[NH+](C)C)ccc1NC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000819491385 1203159307 /nfs/dbraw/zinc/15/93/07/1203159307.db2.gz FPAXQXUDLKILNY-MRXNPFEDSA-N 2 0 366.506 0.656 10 0 FCAERP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000844169606 1203337532 /nfs/dbraw/zinc/33/75/32/1203337532.db2.gz AODBXRLKFKSLAR-HZPDHXFCSA-N 2 0 362.478 0.576 10 0 FCAERP CN(C)c1ccc(NC(=O)CCN2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000844381460 1204402348 /nfs/dbraw/zinc/40/23/48/1204402348.db2.gz MFPCHTRMMZAIND-UHFFFAOYSA-N 2 0 361.490 0.787 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000846329817 1204609911 /nfs/dbraw/zinc/60/99/11/1204609911.db2.gz NVOMPEQHZKAZPC-DLBZAZTESA-N 2 0 360.458 0.002 10 0 FCAERP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@]1(O)CCC[NH+](Cc2ccccc2)C1 ZINC001146375900 1204716618 /nfs/dbraw/zinc/71/66/18/1204716618.db2.gz CSCZFOCSPJPMQP-AZUAARDMSA-N 2 0 360.502 0.376 10 0 FCAERP COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000776249250 1208483390 /nfs/dbraw/zinc/48/33/90/1208483390.db2.gz OHWUOYNFCFFSNT-HZPDHXFCSA-N 2 0 371.526 0.988 10 0 FCAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001488916174 1208567858 /nfs/dbraw/zinc/56/78/58/1208567858.db2.gz PJALKNSOODKPGJ-XHSDSOJGSA-N 2 0 359.536 0.780 10 0 FCAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCO)C1 ZINC001488981488 1208597782 /nfs/dbraw/zinc/59/77/82/1208597782.db2.gz HWBSQUDFWLQFCZ-RCCFBDPRSA-N 2 0 363.506 0.561 10 0 FCAERP CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001489017280 1208608436 /nfs/dbraw/zinc/60/84/36/1208608436.db2.gz XPRSMXXKDUEBKL-GDBMZVCRSA-N 2 0 350.463 0.970 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCC2(CNC(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC001489072958 1208620403 /nfs/dbraw/zinc/62/04/03/1208620403.db2.gz NSEVAFWURNNORZ-BZUAXINKSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@@H+]1CCOCCO ZINC001489300420 1208732743 /nfs/dbraw/zinc/73/27/43/1208732743.db2.gz LAMPHOQTPIYWMH-QAPCUYQASA-N 2 0 353.507 0.696 10 0 FCAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001489478894 1208857688 /nfs/dbraw/zinc/85/76/88/1208857688.db2.gz BMQKRWIQAMZNTQ-BRWVUGGUSA-N 2 0 350.507 0.920 10 0 FCAERP CO[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001489541217 1208901064 /nfs/dbraw/zinc/90/10/64/1208901064.db2.gz NUAJWFGUCXNMLZ-MDZRGWNJSA-N 2 0 366.506 0.156 10 0 FCAERP CO[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001489541498 1208901127 /nfs/dbraw/zinc/90/11/27/1208901127.db2.gz ZCKZAWLPOGRTML-HZPDHXFCSA-N 2 0 368.522 0.402 10 0 FCAERP C[NH+](C)CCCCC(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001489590024 1209009838 /nfs/dbraw/zinc/00/98/38/1209009838.db2.gz KWIDHYWHNUSGJJ-SJORKVTESA-N 2 0 368.522 0.282 10 0 FCAERP C[NH+](C)CCCCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001489649735 1209036269 /nfs/dbraw/zinc/03/62/69/1209036269.db2.gz AVCZJQYXZNIENE-BRWVUGGUSA-N 2 0 350.507 0.729 10 0 FCAERP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001489621674 1209052880 /nfs/dbraw/zinc/05/28/80/1209052880.db2.gz ULLZKVASBDDMIB-IKGGRYGDSA-N 2 0 368.522 0.281 10 0 FCAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001490356976 1209336884 /nfs/dbraw/zinc/33/68/84/1209336884.db2.gz ALFJXZATDUJSKV-IXDOHACOSA-N 2 0 368.522 0.117 10 0 FCAERP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851691883 1209516051 /nfs/dbraw/zinc/51/60/51/1209516051.db2.gz SCTHKYIKGNHTRI-UHFFFAOYSA-N 2 0 358.486 0.488 10 0 FCAERP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852872759 1209571908 /nfs/dbraw/zinc/57/19/08/1209571908.db2.gz LXFXINHSUBQRTP-KRWDZBQOSA-N 2 0 365.522 0.745 10 0 FCAERP CC[C@@H]1CN(C(=O)C[C@@H](O)CC(=O)N2C[C@@H](C)[NH2+][C@@H](CC)C2)C[C@H](C)[NH2+]1 ZINC000856408691 1209709445 /nfs/dbraw/zinc/70/94/45/1209709445.db2.gz RSWWNSHIULFASS-JGAFCMAOSA-N 2 0 368.522 0.325 10 0 FCAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC(=O)NC(=O)NC)C2)ccn1 ZINC000856587534 1209715963 /nfs/dbraw/zinc/71/59/63/1209715963.db2.gz PHJYWCUYMNKMIC-INIZCTEOSA-N 2 0 363.462 0.832 10 0 FCAERP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861658392 1209873437 /nfs/dbraw/zinc/87/34/37/1209873437.db2.gz IIIFLWFOMMSIFF-ILXRZTDVSA-N 2 0 363.462 0.238 10 0 FCAERP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000861749647 1209879650 /nfs/dbraw/zinc/87/96/50/1209879650.db2.gz GCENUXRERWOWRN-CVEARBPZSA-N 2 0 364.490 0.147 10 0 FCAERP CN(C(=O)[C@@H](F)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)[C@H]1C[NH+]2CCC1CC2 ZINC000865713943 1209983066 /nfs/dbraw/zinc/98/30/66/1209983066.db2.gz XSEFVHCDXMYNMW-FVQHAEBGSA-N 2 0 366.481 0.430 10 0 FCAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CCc2nnnn2-c2ccccc2)C1 ZINC000866708036 1210003035 /nfs/dbraw/zinc/00/30/35/1210003035.db2.gz CJTMETQKUMJJQF-OWCLPIDISA-N 2 0 369.429 0.072 10 0 FCAERP COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000867606223 1210017097 /nfs/dbraw/zinc/01/70/97/1210017097.db2.gz RDWYBTMIMLPQHL-HOTGVXAUSA-N 2 0 366.506 0.108 10 0 FCAERP COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000867606226 1210017578 /nfs/dbraw/zinc/01/75/78/1210017578.db2.gz RDWYBTMIMLPQHL-JKSUJKDBSA-N 2 0 366.506 0.108 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CCCC[C@@H]32)C[C@H]1C[NH+](C)C ZINC000867621473 1210018737 /nfs/dbraw/zinc/01/87/37/1210018737.db2.gz TUJBWWMFYUUITD-MLHJIOFPSA-N 2 0 364.534 0.975 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000867631237 1210019375 /nfs/dbraw/zinc/01/93/75/1210019375.db2.gz DVFCRGLDCSJLML-YYIAUSFCSA-N 2 0 368.522 0.210 10 0 FCAERP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1)CCO2 ZINC000867741285 1210026803 /nfs/dbraw/zinc/02/68/03/1210026803.db2.gz YUZLVZOXHOAFSN-UHFFFAOYSA-N 2 0 366.506 0.252 10 0 FCAERP CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868224279 1210044653 /nfs/dbraw/zinc/04/46/53/1210044653.db2.gz FHEGLNHIRUDYSW-FHLIZLRMSA-N 2 0 373.501 0.582 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3[C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000868392154 1210061592 /nfs/dbraw/zinc/06/15/92/1210061592.db2.gz TVXLXKJQVWPUKS-XWTMOSNGSA-N 2 0 362.518 0.920 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)CC[C@@H]21 ZINC000868392064 1210061704 /nfs/dbraw/zinc/06/17/04/1210061704.db2.gz QVZRKIMHDYXEOE-SIUPPRGNSA-N 2 0 374.460 0.631 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)CC[C@@H]21 ZINC000868410506 1210063411 /nfs/dbraw/zinc/06/34/11/1210063411.db2.gz NCGMYKSRJILHDN-XDNAFOTISA-N 2 0 362.518 0.777 10 0 FCAERP O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000868418862 1210064237 /nfs/dbraw/zinc/06/42/37/1210064237.db2.gz RTHLMSAENXNOSK-UBDQQSCGSA-N 2 0 360.502 0.815 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CNC(=O)C2)C[C@H]1C[NH+](C)C ZINC000870018423 1210099536 /nfs/dbraw/zinc/09/95/36/1210099536.db2.gz QKPNUAFIFUQZFI-CBGDNZLLSA-N 2 0 372.513 0.642 10 0 FCAERP COc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870021528 1210099970 /nfs/dbraw/zinc/09/99/70/1210099970.db2.gz HNDIKNYLRIZVEA-HUUCEWRRSA-N 2 0 362.474 0.832 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C[C@H]1C[NH+](C)C ZINC000870023891 1210099986 /nfs/dbraw/zinc/09/99/86/1210099986.db2.gz NHTKOJPVTDMKNS-RCCFBDPRSA-N 2 0 364.534 0.833 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@H]1C[NH+](C)C ZINC000870024104 1210100193 /nfs/dbraw/zinc/10/01/93/1210100193.db2.gz SQJCTPNCRWYHGX-HZPDHXFCSA-N 2 0 362.474 0.362 10 0 FCAERP O=C(N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000870996711 1210124736 /nfs/dbraw/zinc/12/47/36/1210124736.db2.gz FVPVXPLYHWEFJB-CLWJZODNSA-N 2 0 370.453 0.311 10 0 FCAERP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872186707 1210175186 /nfs/dbraw/zinc/17/51/86/1210175186.db2.gz MXVCWXYLQDSMFX-GHTZIAJQSA-N 2 0 372.513 0.687 10 0 FCAERP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)C2 ZINC000872192325 1210176817 /nfs/dbraw/zinc/17/68/17/1210176817.db2.gz GONSVSOZTMKBKK-MZRZTIOWSA-N 2 0 360.502 0.530 10 0 FCAERP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000872194635 1210177612 /nfs/dbraw/zinc/17/76/12/1210177612.db2.gz HUHIYMZHYTVJCB-INIZCTEOSA-N 2 0 366.506 0.430 10 0 FCAERP CC(C)(O)C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000872210038 1210178443 /nfs/dbraw/zinc/17/84/43/1210178443.db2.gz GVNLLMYVRUUMKV-GOSISDBHSA-N 2 0 363.502 0.995 10 0 FCAERP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000872197783 1210178656 /nfs/dbraw/zinc/17/86/56/1210178656.db2.gz WJJAWOMPQPMYFZ-RIFZZMRRSA-N 2 0 358.486 0.773 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C[C@H]1[NH3+] ZINC000872198281 1210179178 /nfs/dbraw/zinc/17/91/78/1210179178.db2.gz YGFOLNCGGSKRSS-LNNXQNCSSA-N 2 0 370.497 0.773 10 0 FCAERP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000872197004 1210179291 /nfs/dbraw/zinc/17/92/91/1210179291.db2.gz UAFQFRPIZYOTRW-QUJKESNLSA-N 2 0 370.497 0.915 10 0 FCAERP Cc1nn(C)c2ncc(C[N@@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cc12 ZINC000872255409 1210184106 /nfs/dbraw/zinc/18/41/06/1210184106.db2.gz WHHPHWBZZUMJSW-IMJJTQAJSA-N 2 0 356.430 0.644 10 0 FCAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872264042 1210184430 /nfs/dbraw/zinc/18/44/30/1210184430.db2.gz ITDVDXDXCSDZGJ-UTSOLEGOSA-N 2 0 362.474 0.691 10 0 FCAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872264040 1210185278 /nfs/dbraw/zinc/18/52/78/1210185278.db2.gz ITDVDXDXCSDZGJ-DWBZUHSKSA-N 2 0 362.474 0.691 10 0 FCAERP COc1cccc([C@H]([NH3+])C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872302875 1210188875 /nfs/dbraw/zinc/18/88/75/1210188875.db2.gz PGWZTPYNAHSHFD-UKMLZYKCSA-N 2 0 360.414 0.089 10 0 FCAERP C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1nnnn1C1CC1 ZINC000875529994 1210378369 /nfs/dbraw/zinc/37/83/69/1210378369.db2.gz XAEKBMXZHHWUKD-MGPQQGTHSA-N 2 0 364.498 0.450 10 0 FCAERP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1nnnn1C1CC1 ZINC000875529993 1210378431 /nfs/dbraw/zinc/37/84/31/1210378431.db2.gz XAEKBMXZHHWUKD-BFHYXJOUSA-N 2 0 364.498 0.450 10 0 FCAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C(=O)NCC34CCOCC4)cn2)CC1 ZINC000924689083 1211477499 /nfs/dbraw/zinc/47/74/99/1211477499.db2.gz HDPVDTMBBKASHU-GOSISDBHSA-N 2 0 373.501 0.608 10 0 FCAERP CC[C@@H](CN1CCOCC1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000925618791 1211504629 /nfs/dbraw/zinc/50/46/29/1211504629.db2.gz YBJPLKKCWUXYPZ-KURKYZTESA-N 3 0 369.554 0.478 10 0 FCAERP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926370870 1211540416 /nfs/dbraw/zinc/54/04/16/1211540416.db2.gz JYNHWFIARIQSRX-OAHLLOKOSA-N 2 0 366.506 0.286 10 0 FCAERP CCO[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C[NH+](C)C ZINC000926839480 1211556545 /nfs/dbraw/zinc/55/65/45/1211556545.db2.gz ZRSSBZHHOHBZJV-RCCFBDPRSA-N 2 0 369.554 0.621 10 0 FCAERP CCO[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C[NH+](C)C ZINC000926839477 1211556579 /nfs/dbraw/zinc/55/65/79/1211556579.db2.gz ZRSSBZHHOHBZJV-KZNAEPCWSA-N 2 0 369.554 0.621 10 0 FCAERP CCO[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C[NH+](C)C ZINC000926842802 1211557166 /nfs/dbraw/zinc/55/71/66/1211557166.db2.gz SKVLVVTYGKJGBG-QZTJIDSGSA-N 3 0 369.554 0.763 10 0 FCAERP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927639489 1211578754 /nfs/dbraw/zinc/57/87/54/1211578754.db2.gz DEVVIWVOPMUOOH-AEFFLSMTSA-N 2 0 367.538 0.565 10 0 FCAERP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000927825094 1211583740 /nfs/dbraw/zinc/58/37/40/1211583740.db2.gz CQICYYZFPQOGGZ-HZPDHXFCSA-N 2 0 373.501 0.739 10 0 FCAERP Cc1c(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cnn1C ZINC000927836682 1211584476 /nfs/dbraw/zinc/58/44/76/1211584476.db2.gz WPMRRXJSSLNRBG-GASCZTMLSA-N 2 0 360.462 0.094 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N(CC[NH2+]C)C(C)C)CC1 ZINC000927863181 1211587060 /nfs/dbraw/zinc/58/70/60/1211587060.db2.gz MUNHKMYUSAQFOM-UHFFFAOYSA-N 2 0 364.494 0.935 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[C@@H]1C[NH3+] ZINC000927890043 1211590713 /nfs/dbraw/zinc/59/07/13/1211590713.db2.gz DWVUYLXSEKKGBS-UONOGXRCSA-N 2 0 362.478 0.532 10 0 FCAERP C[C@@H]1[C@H](NC(=O)Cc2[nH]ccc2C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)CC[N@@H+]1C ZINC000928429505 1211601990 /nfs/dbraw/zinc/60/19/90/1211601990.db2.gz WVXGTBNXAJUGBV-OCVGTWLNSA-N 2 0 361.490 0.588 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2cnc(C(=O)N[C@H]3CC[N@H+](C)[C@H]3C)cn2)CC[NH+]1C ZINC000928425377 1211602537 /nfs/dbraw/zinc/60/25/37/1211602537.db2.gz CGAJEJZOAHBHHX-KPWCQOOUSA-N 2 0 360.462 0.121 10 0 FCAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000929567302 1211647368 /nfs/dbraw/zinc/64/73/68/1211647368.db2.gz JSRMBRXJDNJCNJ-BBWFWOEESA-N 2 0 364.490 0.099 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000929955227 1211676292 /nfs/dbraw/zinc/67/62/92/1211676292.db2.gz NXRGSRREDDRTOE-IKGGRYGDSA-N 2 0 366.506 0.035 10 0 FCAERP C[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)C1=CC[N@H+](C)CC1 ZINC000930652427 1211716624 /nfs/dbraw/zinc/71/66/24/1211716624.db2.gz KHSUJMOWOBAZAS-YJBOKZPZSA-N 2 0 373.501 0.957 10 0 FCAERP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000930829095 1211724478 /nfs/dbraw/zinc/72/44/78/1211724478.db2.gz XVACVHMBLLXBEG-DOTOQJQBSA-N 2 0 366.506 0.204 10 0 FCAERP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cccnc1 ZINC000930950402 1211730718 /nfs/dbraw/zinc/73/07/18/1211730718.db2.gz ZIJHFIJPTYPEIG-HYVNUMGLSA-N 2 0 361.490 0.647 10 0 FCAERP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000931614688 1211764335 /nfs/dbraw/zinc/76/43/35/1211764335.db2.gz BDWQUUAPIFQTDZ-QGZVFWFLSA-N 2 0 359.474 0.897 10 0 FCAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001490869239 1212835284 /nfs/dbraw/zinc/83/52/84/1212835284.db2.gz AQIDFZZTUQXEHT-HZMVEIRTSA-N 2 0 362.518 0.918 10 0 FCAERP Cn1ncc(C[NH3+])c1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000719214492 1213139769 /nfs/dbraw/zinc/13/97/69/1213139769.db2.gz ZCZPTOXYMDMWME-UHFFFAOYSA-N 2 0 356.474 0.426 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000418849602 1213863114 /nfs/dbraw/zinc/86/31/14/1213863114.db2.gz DAIKRTRCFBKOOS-YLJYHZDGSA-N 2 0 358.486 0.630 10 0 FCAERP C[NH+]1CCN(c2cc(CNC(=O)C[C@@]3(O)CCC[N@H+](C)C3)ccn2)CC1 ZINC000900229566 1217973061 /nfs/dbraw/zinc/97/30/61/1217973061.db2.gz OZCDDKZFLXUXLI-IBGZPJMESA-N 2 0 361.490 0.296 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)cn2)CC1 ZINC000900229721 1217973319 /nfs/dbraw/zinc/97/33/19/1217973319.db2.gz QSGOXWOFWAGMAE-QFBILLFUSA-N 2 0 361.490 0.295 10 0 FCAERP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000900454126 1217990518 /nfs/dbraw/zinc/99/05/18/1217990518.db2.gz BWNDUISXCOCWDI-IEBWSBKVSA-N 3 0 361.490 0.165 10 0 FCAERP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000900900506 1218051030 /nfs/dbraw/zinc/05/10/30/1218051030.db2.gz WBHUXYNEKDKSGO-ICSRJNTNSA-N 2 0 359.470 0.460 10 0 FCAERP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H]3CCO[C@]34CCOC4)CC2)nc1 ZINC000903086823 1218362973 /nfs/dbraw/zinc/36/29/73/1218362973.db2.gz AKYXMVVSGQCFGJ-MJGOQNOKSA-N 2 0 361.490 0.916 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N1CCc3ccccc3C1)C2 ZINC000903490646 1218424852 /nfs/dbraw/zinc/42/48/52/1218424852.db2.gz BQCYNDHXQDCKDK-QKLQHJQFSA-N 2 0 357.454 0.784 10 0 FCAERP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C[C@@H](C)O1 ZINC000903730005 1218508853 /nfs/dbraw/zinc/50/88/53/1218508853.db2.gz FMRIQKGJIAUELU-LVQVYYBASA-N 2 0 366.506 0.282 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903773044 1218522655 /nfs/dbraw/zinc/52/26/55/1218522655.db2.gz GMDAKXZIYAVXLZ-OAHLLOKOSA-N 2 0 366.506 0.286 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C[C@H]1CC[NH3+] ZINC000903777411 1218523488 /nfs/dbraw/zinc/52/34/88/1218523488.db2.gz XDINVFZPXUMBCE-OWCLPIDISA-N 2 0 359.474 0.562 10 0 FCAERP CC[NH+](CC)CC(=O)N1CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903891055 1218560220 /nfs/dbraw/zinc/56/02/20/1218560220.db2.gz ITHKMYIWYIKIKA-QGZVFWFLSA-N 2 0 364.538 0.332 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804050596 1219102539 /nfs/dbraw/zinc/10/25/39/1219102539.db2.gz JWXHOFJONSNGCE-BACDZXNISA-N 2 0 366.506 0.202 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001490889726 1219362532 /nfs/dbraw/zinc/36/25/32/1219362532.db2.gz NYFRMPTZLKLFLG-UVPYHEFZSA-N 2 0 359.536 0.634 10 0 FCAERP COCC[N@H+](C[C@@H](O)COC)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001277398773 1226017698 /nfs/dbraw/zinc/01/76/98/1226017698.db2.gz UMOKUCJPFLGBFV-KBAYOESNSA-N 2 0 371.522 0.273 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC1 ZINC001118035822 1221693066 /nfs/dbraw/zinc/69/30/66/1221693066.db2.gz VILNMBXJZOPKBM-SJORKVTESA-N 2 0 362.449 0.898 10 0 FCAERP [NH3+]C1CCC(NC(=O)C[C@@]2(C(=O)NC3CCC([NH3+])CC3)CC[NH2+]C2)CC1 ZINC001118197258 1221731910 /nfs/dbraw/zinc/73/19/10/1221731910.db2.gz PFUUMJAPGZAWLH-ZWMYRTKRSA-N 3 0 365.522 0.128 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC[C@@H](C)Cn1ccnc1C ZINC001118265647 1221746712 /nfs/dbraw/zinc/74/67/12/1221746712.db2.gz UXNDJOJBRANMOS-CQSZACIVSA-N 2 0 357.458 0.980 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC001118548481 1221799353 /nfs/dbraw/zinc/79/93/53/1221799353.db2.gz MQAAORIDHWLWDF-WBVHZDCISA-N 2 0 367.538 0.959 10 0 FCAERP C[NH2+]C[C@@H](C)CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001118751260 1221827601 /nfs/dbraw/zinc/82/76/01/1221827601.db2.gz XMRDWYYPQCILOZ-HUUCEWRRSA-N 2 0 363.510 0.564 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001118862258 1221837154 /nfs/dbraw/zinc/83/71/54/1221837154.db2.gz LWBRKJPURHIUFE-UHFFFAOYSA-N 2 0 362.474 0.915 10 0 FCAERP CC(=O)N1CCC(NC(=O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC001118959568 1221850572 /nfs/dbraw/zinc/85/05/72/1221850572.db2.gz OZLMAWSSVJXXLK-SFHVURJKSA-N 2 0 366.506 0.204 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1cccc2c1C[NH2+]CC2 ZINC001119037399 1221859454 /nfs/dbraw/zinc/85/94/54/1221859454.db2.gz SFTHAFPFJWIOQG-IUODEOHRSA-N 2 0 358.442 0.408 10 0 FCAERP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001119692087 1221951802 /nfs/dbraw/zinc/95/18/02/1221951802.db2.gz BZMOKKJIHJZAOA-GVDBMIGSSA-N 2 0 366.506 0.345 10 0 FCAERP C[C@@H](CCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)[NH+]1CCCCC1 ZINC001123547310 1222338992 /nfs/dbraw/zinc/33/89/92/1222338992.db2.gz WGLCDXQYCCZVNI-JENIJYKNSA-N 2 0 368.522 0.776 10 0 FCAERP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC([C@@H](F)C(N)=O)CC3)C2)CC1 ZINC001123600988 1222342105 /nfs/dbraw/zinc/34/21/05/1222342105.db2.gz SDKIKBPMCPWYOO-GDBMZVCRSA-N 2 0 369.485 0.400 10 0 FCAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCC(=O)NCC[NH+]3CCCCCC3)[C@@H]2C1 ZINC001123650842 1222346955 /nfs/dbraw/zinc/34/69/55/1222346955.db2.gz XZJONERPMJSDII-GVDBMIGSSA-N 2 0 365.522 0.618 10 0 FCAERP C[NH+]1C[C@H]2CC[C@@H](NC(=O)[C@H](F)C(=O)N[C@H]3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC001124106661 1222380713 /nfs/dbraw/zinc/38/07/13/1222380713.db2.gz HZPNABSICVVCCV-HYJYAYOFSA-N 2 0 366.481 0.237 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC000828286052 1222399221 /nfs/dbraw/zinc/39/92/21/1222399221.db2.gz YYMLASXDNIKLFC-YESZJQIVSA-N 2 0 368.522 0.545 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000841847254 1222830446 /nfs/dbraw/zinc/83/04/46/1222830446.db2.gz UJPGQPWAQZZOIC-OCCSQVGLSA-N 2 0 363.414 0.814 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000842266131 1222845209 /nfs/dbraw/zinc/84/52/09/1222845209.db2.gz SDFHZOHKBVFDPH-SJLPKXTDSA-N 2 0 360.502 0.734 10 0 FCAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000842265419 1222845353 /nfs/dbraw/zinc/84/53/53/1222845353.db2.gz JNCNAIXDQCCFHQ-WMZOPIPTSA-N 2 0 360.502 0.734 10 0 FCAERP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)cn1 ZINC000849512290 1245397199 /nfs/dbraw/zinc/39/71/99/1245397199.db2.gz BTYHYEBILPSAOF-MHORFTMASA-N 2 0 361.490 0.435 10 0 FCAERP 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O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000923416468 1245717341 /nfs/dbraw/zinc/71/73/41/1245717341.db2.gz XCOMNUGSXKMUQT-SRABZTEZSA-N 2 0 365.405 0.432 10 0 FCAERP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000923450846 1245720398 /nfs/dbraw/zinc/72/03/98/1245720398.db2.gz JMCXVDGARLWRSZ-HNNXBMFYSA-N 2 0 368.478 0.117 10 0 FCAERP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000923476754 1245723123 /nfs/dbraw/zinc/72/31/23/1245723123.db2.gz GHDDOERUWLMHKV-OAQYLSRUSA-N 2 0 374.529 0.815 10 0 FCAERP O[C@@H]1CC[NH+](C2CCN(CCN3CCC([N@@H+]4CC[C@@H](O)C4)CC3)CC2)C1 ZINC001327914149 1265451769 /nfs/dbraw/zinc/45/17/69/1265451769.db2.gz VBFAYRQTMFMUFY-WOJBJXKFSA-N 2 0 366.550 0.048 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001328207589 1265503869 /nfs/dbraw/zinc/50/38/69/1265503869.db2.gz QIXRZULSGDACSO-DJIMGWMZSA-N 2 0 366.506 0.297 10 0 FCAERP 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CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001329982119 1265914545 /nfs/dbraw/zinc/91/45/45/1265914545.db2.gz HRDGHCGWUDRFRA-OAGGEKHMSA-N 2 0 368.522 0.591 10 0 FCAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001520902654 1266033826 /nfs/dbraw/zinc/03/38/26/1266033826.db2.gz CSEUXHKLKZVUSI-PMPSAXMXSA-N 2 0 368.497 0.868 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001521035477 1266067108 /nfs/dbraw/zinc/06/71/08/1266067108.db2.gz RCFVCGHOSIDVIB-FPCVCCKLSA-N 2 0 350.507 0.774 10 0 FCAERP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001330598686 1266067441 /nfs/dbraw/zinc/06/74/41/1266067441.db2.gz FGYRMTMHPGGUCW-AIEDFZFUSA-N 2 0 367.494 0.045 10 0 FCAERP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001330598687 1266068755 /nfs/dbraw/zinc/06/87/55/1266068755.db2.gz FGYRMTMHPGGUCW-KJWHEZOQSA-N 2 0 367.494 0.045 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001521641439 1266156013 /nfs/dbraw/zinc/15/60/13/1266156013.db2.gz FQIJRSCKPDNGMW-FUHIMQAGSA-N 2 0 364.534 0.975 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001521649220 1266157984 /nfs/dbraw/zinc/15/79/84/1266157984.db2.gz CVTKFMGPUVDFLI-QFBILLFUSA-N 2 0 352.523 0.975 10 0 FCAERP CN(C)[C@]1(C(=O)NC[C@H](O)C[NH+]2CCCCC2)COc2ccccc2C1 ZINC001521667918 1266159966 /nfs/dbraw/zinc/15/99/66/1266159966.db2.gz ZOKQYILNGVQPFE-PXNSSMCTSA-N 2 0 361.486 0.885 10 0 FCAERP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001521912504 1266215836 /nfs/dbraw/zinc/21/58/36/1266215836.db2.gz VQPZNPNBVSJTKL-IXDOHACOSA-N 2 0 350.507 0.635 10 0 FCAERP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001521912496 1266216189 /nfs/dbraw/zinc/21/61/89/1266216189.db2.gz VQPZNPNBVSJTKL-BRWVUGGUSA-N 2 0 350.507 0.635 10 0 FCAERP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC001335378327 1259633430 /nfs/dbraw/zinc/63/34/30/1259633430.db2.gz DZHDOAFMNKJHSK-IRXDYDNUSA-N 2 0 366.506 0.014 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1cccc2c1C[NH2+]CC2 ZINC001335715953 1259801536 /nfs/dbraw/zinc/80/15/36/1259801536.db2.gz RCKFWLZSANDIAD-BBRMVZONSA-N 2 0 372.469 0.798 10 0 FCAERP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261378501 1260128464 /nfs/dbraw/zinc/12/84/64/1260128464.db2.gz BTKJYOPJLAXKBK-UHFFFAOYSA-N 2 0 355.442 0.943 10 0 FCAERP Cc1cc(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001262208150 1260278254 /nfs/dbraw/zinc/27/82/54/1260278254.db2.gz XBXKZHOMOHLOIQ-GDBMZVCRSA-N 2 0 359.474 0.409 10 0 FCAERP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001264646359 1260388315 /nfs/dbraw/zinc/38/83/15/1260388315.db2.gz LBZTXOQFBNIABI-IXDOHACOSA-N 2 0 368.522 0.260 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001264987607 1260408824 /nfs/dbraw/zinc/40/88/24/1260408824.db2.gz DKJRGQCWQBUZMX-LSDHHAIUSA-N 2 0 367.494 0.143 10 0 FCAERP COCCCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001265584563 1260415832 /nfs/dbraw/zinc/41/58/32/1260415832.db2.gz PLVWGCJKSYZFRY-IXDOHACOSA-N 2 0 368.522 0.308 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(C)[NH+](C)CC)CC[N@@H+]1C ZINC001337672890 1260453404 /nfs/dbraw/zinc/45/34/04/1260453404.db2.gz BUKZADNURWOGQA-SOUVJXGZSA-N 2 0 356.511 0.040 10 0 FCAERP Cc1cc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1 ZINC001273260234 1260640184 /nfs/dbraw/zinc/64/01/84/1260640184.db2.gz HNZPZRZZWSMDQA-KZNAEPCWSA-N 2 0 363.506 0.657 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H](CO)CNC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1C ZINC001281117008 1261093320 /nfs/dbraw/zinc/09/33/20/1261093320.db2.gz WETBPXJNUVFCBJ-HRCADAONSA-N 2 0 370.538 0.288 10 0 FCAERP 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CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001289726009 1262324511 /nfs/dbraw/zinc/32/45/11/1262324511.db2.gz CUEOVHPTCFQVLW-SJORKVTESA-N 2 0 368.522 0.137 10 0 FCAERP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001290844803 1262519488 /nfs/dbraw/zinc/51/94/88/1262519488.db2.gz UJOHSPKAPBJWBK-LJCCNALRSA-N 2 0 364.534 0.975 10 0 FCAERP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001292296405 1262682279 /nfs/dbraw/zinc/68/22/79/1262682279.db2.gz SDAVFWVKKGMHCL-FCEWJHQRSA-N 2 0 366.506 0.156 10 0 FCAERP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001479453787 1263205843 /nfs/dbraw/zinc/20/58/43/1263205843.db2.gz GJRDXVXCFQDVAF-HZSPNIEDSA-N 2 0 367.494 0.189 10 0 FCAERP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001479495929 1263223045 /nfs/dbraw/zinc/22/30/45/1263223045.db2.gz SYVAEZQGCAJJSR-SOUVJXGZSA-N 2 0 351.451 0.412 10 0 FCAERP 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ZINC000284840118 213231950 /nfs/dbraw/zinc/23/19/50/213231950.db2.gz NBOOQUSVYWSSGN-GOSISDBHSA-N 2 0 358.486 0.930 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1)C[NH+](C)C ZINC000931132694 674095485 /nfs/dbraw/zinc/09/54/85/674095485.db2.gz CSLXWBGASIKYKF-CSLYMUCUSA-N 2 0 356.511 0.448 10 0 FCAERP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262431141 209587967 /nfs/dbraw/zinc/58/79/67/209587967.db2.gz BQNVFRXYVHPVRI-HKUYNNGSSA-N 2 0 361.486 0.897 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)CCC[NH+]2CCCC2)C1 ZINC000366882716 216046859 /nfs/dbraw/zinc/04/68/59/216046859.db2.gz LXYFRBZKEOAICN-SFHVURJKSA-N 2 0 354.539 0.877 10 0 FCAERP COCC1(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[NH2+]CC1 ZINC000261722331 209473462 /nfs/dbraw/zinc/47/34/62/209473462.db2.gz LREIYMBRDKTUMV-UHFFFAOYSA-N 2 0 361.490 0.579 10 0 FCAERP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)C[C@@H](C)O1 ZINC000247652585 209415781 /nfs/dbraw/zinc/41/57/81/209415781.db2.gz XARNYQGSPSVHHT-JFIYKMOQSA-N 2 0 353.507 0.791 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000192619449 209302912 /nfs/dbraw/zinc/30/29/12/209302912.db2.gz NYXCHCXVNZBFKG-QGZVFWFLSA-N 2 0 358.552 0.514 10 0 FCAERP CN(C1CC[NH+](CCn2cccn2)CC1)S(=O)(=O)CC[NH+]1CCCC1 ZINC000189602469 209256613 /nfs/dbraw/zinc/25/66/13/209256613.db2.gz LOPQLFSRCZMPDF-UHFFFAOYSA-N 2 0 369.535 0.705 10 0 FCAERP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000187297856 209211941 /nfs/dbraw/zinc/21/19/41/209211941.db2.gz FZPFFDCBBSBBBC-WMZOPIPTSA-N 2 0 363.506 0.905 10 0 FCAERP CCN1CCOC[C@H]1C(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000376432853 217398975 /nfs/dbraw/zinc/39/89/75/217398975.db2.gz GLWIXVJVNZNWQY-KRWDZBQOSA-N 2 0 357.495 0.293 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000419130241 246004712 /nfs/dbraw/zinc/00/47/12/246004712.db2.gz FANLGMPSPNPQLY-SFHVURJKSA-N 2 0 358.486 0.978 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419149664 246018133 /nfs/dbraw/zinc/01/81/33/246018133.db2.gz FPNXGZKSUBUOQI-BHIYHBOVSA-N 2 0 372.513 0.781 10 0 FCAERP CN(C)c1ncccc1CNC(=O)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000419390783 246130317 /nfs/dbraw/zinc/13/03/17/246130317.db2.gz JBGLKOHIDQADTF-MRXNPFEDSA-N 2 0 368.441 0.332 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000419412453 246147749 /nfs/dbraw/zinc/14/77/49/246147749.db2.gz QWAXVBULLPTFCD-DAXOMENPSA-N 2 0 350.438 0.659 10 0 FCAERP C[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000419407177 246139644 /nfs/dbraw/zinc/13/96/44/246139644.db2.gz JUSIAYSWUOYXIQ-CVEARBPZSA-N 2 0 355.527 0.109 10 0 FCAERP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000419494413 246181482 /nfs/dbraw/zinc/18/14/82/246181482.db2.gz PJYNZMODTCBLPC-BRWVUGGUSA-N 2 0 356.511 0.584 10 0 FCAERP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000419556670 246202168 /nfs/dbraw/zinc/20/21/68/246202168.db2.gz JIJFOKRXJROFQC-DZGCQCFKSA-N 2 0 352.504 0.973 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419696923 246253727 /nfs/dbraw/zinc/25/37/27/246253727.db2.gz VVZAWLQGWXICNG-HUUCEWRRSA-N 2 0 368.547 0.578 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000419705197 246261347 /nfs/dbraw/zinc/26/13/47/246261347.db2.gz IOGGTPINIRLFRB-LMSBXDPUSA-N 2 0 358.486 0.880 10 0 FCAERP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000419846258 246317815 /nfs/dbraw/zinc/31/78/15/246317815.db2.gz GUQKBPNIOWTRII-GOSISDBHSA-N 2 0 373.501 0.764 10 0 FCAERP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000419918651 246367958 /nfs/dbraw/zinc/36/79/58/246367958.db2.gz UXRPCFQLJNHJHQ-UXLLHSPISA-N 2 0 362.474 0.418 10 0 FCAERP CN(C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419906890 246361611 /nfs/dbraw/zinc/36/16/11/246361611.db2.gz AWCFKHBNJUDFKB-FUHWJXTLSA-N 2 0 358.486 0.835 10 0 FCAERP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000423082914 246960479 /nfs/dbraw/zinc/96/04/79/246960479.db2.gz FFDSBVLLTRYKBQ-HNNXBMFYSA-N 2 0 350.507 0.907 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423089541 246961596 /nfs/dbraw/zinc/96/15/96/246961596.db2.gz VJGXUDWKWNLIML-IBGZPJMESA-N 2 0 350.507 0.779 10 0 FCAERP C[NH+](C)CCN1C(=O)C[C@@H](N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1=O ZINC000424525342 247250423 /nfs/dbraw/zinc/25/04/23/247250423.db2.gz MCCIERADSCMUTA-IPMKNSEASA-N 2 0 370.497 0.882 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000474061346 250268037 /nfs/dbraw/zinc/26/80/37/250268037.db2.gz ADPZPIBSPDWWRR-UHFFFAOYSA-N 2 0 365.478 0.890 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000076978125 208070288 /nfs/dbraw/zinc/07/02/88/208070288.db2.gz KPGYFWZWJDYSSM-FUHWJXTLSA-N 2 0 368.522 0.897 10 0 FCAERP c1ncn([C@@H]2CCC[NH+](CCOCC[N@@H+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000178637875 209055002 /nfs/dbraw/zinc/05/50/02/209055002.db2.gz UKDRVOBSYSMYTF-HDICACEKSA-N 2 0 374.493 0.860 10 0 FCAERP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000178648401 209056984 /nfs/dbraw/zinc/05/69/84/209056984.db2.gz MSBVJQKEFPBJQR-LJQANCHMSA-N 2 0 363.502 0.954 10 0 FCAERP COc1ccc(N2C(=O)C[C@@H]([NH2+]CCCN3CC[NH+](C)CC3)C2=O)cc1 ZINC000102405563 222295250 /nfs/dbraw/zinc/29/52/50/222295250.db2.gz APZLLIADEMNVJS-QGZVFWFLSA-N 2 0 360.458 0.554 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000554256864 491189498 /nfs/dbraw/zinc/18/94/98/491189498.db2.gz MMWNNNWHKNGIBA-PBHICJAKSA-N 2 0 350.507 0.824 10 0 FCAERP Cn1ncc2c1nc(N1CCC(CC(=O)N3CCN(C)CC3)CC1)nc2N ZINC000302906744 488893238 /nfs/dbraw/zinc/89/32/38/488893238.db2.gz XCVUPIBEOQRLQX-UHFFFAOYSA-N 2 0 372.477 0.326 10 0 FCAERP O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(=O)N1CC[NH2+]CC1 ZINC000311691220 488895183 /nfs/dbraw/zinc/89/51/83/488895183.db2.gz SFTQFNLVXGKEHZ-RCCFBDPRSA-N 2 0 356.470 0.445 10 0 FCAERP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278822853 488897685 /nfs/dbraw/zinc/89/76/85/488897685.db2.gz HQZZHMIXUKENQU-PLMTUMEDSA-N 2 0 370.497 0.978 10 0 FCAERP O[C@@H](CN1CCOCC1)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182975200 488390946 /nfs/dbraw/zinc/39/09/46/488390946.db2.gz OUQPJBGRTYUKDY-LJQANCHMSA-N 2 0 355.523 0.504 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185373146 488400647 /nfs/dbraw/zinc/40/06/47/488400647.db2.gz MSLSDFKLUHSJBQ-QGZVFWFLSA-N 2 0 369.554 0.813 10 0 FCAERP CC[NH+]1CCN(CC(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)CC1 ZINC000081265051 488440106 /nfs/dbraw/zinc/44/01/06/488440106.db2.gz ITGMTEMXQQYBMV-UHFFFAOYSA-N 2 0 374.533 0.477 10 0 FCAERP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000245703268 488466120 /nfs/dbraw/zinc/46/61/20/488466120.db2.gz RHMPFQSEQHTPLP-YYIAUSFCSA-N 2 0 350.507 0.824 10 0 FCAERP CC[C@@H]1CN(CCN2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)CC[NH+]1C[C@H](C)O ZINC000246650522 488474304 /nfs/dbraw/zinc/47/43/04/488474304.db2.gz BNAKOYBRIZAAKQ-VNTMZGSJSA-N 2 0 370.582 0.540 10 0 FCAERP CC(=O)N[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](NC(C)=O)C2)C1 ZINC000247164188 488482983 /nfs/dbraw/zinc/48/29/83/488482983.db2.gz UXYFGFHOQKKZER-QZTJIDSGSA-N 2 0 354.495 0.204 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000247646498 488489100 /nfs/dbraw/zinc/48/91/00/488489100.db2.gz VGKWBUHROAWDNR-FUHWJXTLSA-N 2 0 368.522 0.992 10 0 FCAERP CC[C@H](O)CN1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000248445657 488496898 /nfs/dbraw/zinc/49/68/98/488496898.db2.gz FHWRTZSVBHFENK-ULQDDVLXSA-N 2 0 356.511 0.584 10 0 FCAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000562956127 491203075 /nfs/dbraw/zinc/20/30/75/491203075.db2.gz GAGLITSDFRZQLS-LLVKDONJSA-N 2 0 357.252 0.021 10 0 FCAERP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1=O ZINC000252801228 488519371 /nfs/dbraw/zinc/51/93/71/488519371.db2.gz ACFYTKFJWPOGNS-ZIFCJYIRSA-N 2 0 358.486 0.958 10 0 FCAERP COC(=O)CN(C)C(=O)CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111230811 488528992 /nfs/dbraw/zinc/52/89/92/488528992.db2.gz DHVXYRVPQBTMHA-MRXNPFEDSA-N 2 0 354.495 0.110 10 0 FCAERP O=C(NC[C@@H]1CCC[N@H+](CCn2nc3ccccn3c2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261905073 488541052 /nfs/dbraw/zinc/54/10/52/488541052.db2.gz SCRRLLYSKFUBSU-JKSUJKDBSA-N 2 0 372.473 0.076 10 0 FCAERP [NH3+]C1(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CCOCC1 ZINC000261917843 488541393 /nfs/dbraw/zinc/54/13/93/488541393.db2.gz UPVIHTZDTZBQCN-UHFFFAOYSA-N 2 0 350.438 0.572 10 0 FCAERP [NH3+]C1(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CCOCC1 ZINC000261936267 488542649 /nfs/dbraw/zinc/54/26/49/488542649.db2.gz WWRHQYPNOHFSJE-UHFFFAOYSA-N 2 0 374.485 0.636 10 0 FCAERP [NH3+]C[C@@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1 ZINC000261937999 488542721 /nfs/dbraw/zinc/54/27/21/488542721.db2.gz XCCHKJBXTRTHEE-ZIAGYGMSSA-N 2 0 362.371 0.820 10 0 FCAERP COc1cc(F)ccc1N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262006489 488545525 /nfs/dbraw/zinc/54/55/25/488545525.db2.gz FABCYZJJPMAMRH-UHFFFAOYSA-N 2 0 350.438 0.778 10 0 FCAERP C[NH+](C)CCn1nnnc1SCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000120894375 488564153 /nfs/dbraw/zinc/56/41/53/488564153.db2.gz JLVMVXCNIZOJKE-UHFFFAOYSA-N 2 0 353.496 0.070 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccnc(OC3CCOCC3)c2)CC1 ZINC000562999364 491207202 /nfs/dbraw/zinc/20/72/02/491207202.db2.gz LCGDGURYYMOVHL-KRWDZBQOSA-N 2 0 364.490 0.337 10 0 FCAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262771217 488591795 /nfs/dbraw/zinc/59/17/95/488591795.db2.gz LLJLHULWPOGPEM-DOTOQJQBSA-N 2 0 363.506 0.972 10 0 FCAERP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccccc2CC[NH3+])cn1 ZINC000570103068 491216538 /nfs/dbraw/zinc/21/65/38/491216538.db2.gz NSLDYVRSTJBMPW-UHFFFAOYSA-N 2 0 358.446 0.314 10 0 FCAERP CC[C@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000136843374 488678866 /nfs/dbraw/zinc/67/88/66/488678866.db2.gz HOXKCFXQTYXUTI-CABCVRRESA-N 2 0 352.483 0.754 10 0 FCAERP O=C(NC[C@H](O)C[NH+]1CCCCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000153583314 488733146 /nfs/dbraw/zinc/73/31/46/488733146.db2.gz MXWZSMHDGNYYJY-WMZOPIPTSA-N 2 0 368.522 0.633 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000154926100 488748884 /nfs/dbraw/zinc/74/88/84/488748884.db2.gz XJNFMJGEEIODOL-KRWDZBQOSA-N 2 0 356.511 0.585 10 0 FCAERP C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCC(Cc2nccn2C)CC1 ZINC000155174543 488752447 /nfs/dbraw/zinc/75/24/47/488752447.db2.gz PLTYHUXSEHDITB-DZGCQCFKSA-N 2 0 368.503 0.366 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000563142344 491220461 /nfs/dbraw/zinc/22/04/61/491220461.db2.gz MVVJYRGBYOARHI-FSPWUOQZSA-N 2 0 356.470 0.670 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000171208430 488821154 /nfs/dbraw/zinc/82/11/54/488821154.db2.gz PIPOAFDATHDXGC-KRWDZBQOSA-N 2 0 356.511 0.633 10 0 FCAERP COCC[N@H+](C)CCNC(=O)NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000171212200 488821340 /nfs/dbraw/zinc/82/13/40/488821340.db2.gz FIHWQXHZOQHGBP-SFHVURJKSA-N 2 0 364.490 0.283 10 0 FCAERP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N3CCC[C@H](C(N)=O)C3)C2)[nH+]1 ZINC000171651598 488825288 /nfs/dbraw/zinc/82/52/88/488825288.db2.gz QMTCKVWWYMMOGS-CVEARBPZSA-N 2 0 359.474 0.848 10 0 FCAERP CC[C@H](CO)[NH+]1CCN(C/C=C/CN2CC[NH+]([C@H](CC)CO)CC2)CC1 ZINC000173747397 488844980 /nfs/dbraw/zinc/84/49/80/488844980.db2.gz IEODZPMKUOSGLW-BGEOSOQGSA-N 2 0 368.566 0.320 10 0 FCAERP COC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCCO1 ZINC000365111033 489039678 /nfs/dbraw/zinc/03/96/78/489039678.db2.gz OCMKMNFZCAHFFK-IXDOHACOSA-N 2 0 357.495 0.243 10 0 FCAERP C[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC(=O)NC1 ZINC000281541079 489084396 /nfs/dbraw/zinc/08/43/96/489084396.db2.gz IQUYCSGCTDEOCT-LJQANCHMSA-N 2 0 359.474 0.626 10 0 FCAERP CN1CCO[C@@H]2CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)C[C@H]21 ZINC000332801088 489232811 /nfs/dbraw/zinc/23/28/11/489232811.db2.gz XLIZAWAGOJXQMM-IAGOWNOFSA-N 2 0 353.511 0.127 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000563452300 491248591 /nfs/dbraw/zinc/24/85/91/491248591.db2.gz UWENHUZBPZNLAS-KRWDZBQOSA-N 2 0 363.506 0.633 10 0 FCAERP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000570571156 491250130 /nfs/dbraw/zinc/25/01/30/491250130.db2.gz AAARMBQDFCJEHS-GOEBONIOSA-N 2 0 359.474 0.868 10 0 FCAERP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000423181512 489500146 /nfs/dbraw/zinc/50/01/46/489500146.db2.gz LCAJMGWROOERJY-QZTJIDSGSA-N 2 0 361.486 0.897 10 0 FCAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423178747 489500436 /nfs/dbraw/zinc/50/04/36/489500436.db2.gz GMQWXLXYJSLLLG-ZDUSSCGKSA-N 2 0 357.296 0.884 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000451459704 489505192 /nfs/dbraw/zinc/50/51/92/489505192.db2.gz IFKFJNBYRVPVCY-AHCXZYCDSA-N 2 0 353.507 0.863 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000423225407 489505343 /nfs/dbraw/zinc/50/53/43/489505343.db2.gz MQWNTHQHFMPDOV-HZPDHXFCSA-N 2 0 352.479 0.040 10 0 FCAERP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)CC1 ZINC000423302527 489513600 /nfs/dbraw/zinc/51/36/00/489513600.db2.gz JUIVFLDDSHWOPT-FPQWYMTMSA-N 2 0 362.518 0.920 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000415622248 489537687 /nfs/dbraw/zinc/53/76/87/489537687.db2.gz KURZRPNCRTZLOI-IUODEOHRSA-N 2 0 366.437 0.819 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1F ZINC000415868630 489562156 /nfs/dbraw/zinc/56/21/56/489562156.db2.gz MHHZTYOYSJSHJB-AWEZNQCLSA-N 2 0 366.437 0.963 10 0 FCAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000415890147 489563411 /nfs/dbraw/zinc/56/34/11/489563411.db2.gz HDKJVIGBYMGXJZ-UHFFFAOYSA-N 2 0 360.458 0.668 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000417094855 489641243 /nfs/dbraw/zinc/64/12/43/489641243.db2.gz RKXSNESSGNKBMG-UHFFFAOYSA-N 2 0 355.527 0.470 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000457514631 489648388 /nfs/dbraw/zinc/64/83/88/489648388.db2.gz MPXDUBGXQUCXTR-SJORKVTESA-N 2 0 356.511 0.489 10 0 FCAERP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C[C@@H](C)O1 ZINC000457573100 489649586 /nfs/dbraw/zinc/64/95/86/489649586.db2.gz JAWHYJKKNBDXQM-ZACQAIPSSA-N 2 0 356.511 0.632 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417435710 489653699 /nfs/dbraw/zinc/65/36/99/489653699.db2.gz ZCGQQHMUGMNHEO-APWZRJJASA-N 2 0 365.522 0.714 10 0 FCAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417534303 489657822 /nfs/dbraw/zinc/65/78/22/489657822.db2.gz OABBINKQGJWWTO-BZUAXINKSA-N 2 0 353.511 0.746 10 0 FCAERP CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000417778113 489665301 /nfs/dbraw/zinc/66/53/01/489665301.db2.gz FCJYBPQXOMZRAD-AWEZNQCLSA-N 2 0 354.476 0.640 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000417832026 489668105 /nfs/dbraw/zinc/66/81/05/489668105.db2.gz CRIRUTMMUSKNEK-HOCLYGCPSA-N 2 0 367.538 0.910 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)C(=O)NCC[NH+](C)C ZINC000418340043 489692731 /nfs/dbraw/zinc/69/27/31/489692731.db2.gz LBZZUPWGBDRMLI-PMPSAXMXSA-N 2 0 355.527 0.766 10 0 FCAERP CC(C)C[C@H](NC(=O)NCCC1=CC[NH2+]CC1)C(=O)NCC[NH+](C)C ZINC000418647489 489715562 /nfs/dbraw/zinc/71/55/62/489715562.db2.gz UBDDANAURLZCIY-INIZCTEOSA-N 2 0 353.511 0.688 10 0 FCAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](O)Cn2ccnn2)CC1 ZINC000459691838 489747910 /nfs/dbraw/zinc/74/79/10/489747910.db2.gz HAZSQSGZMGQXMB-GOSISDBHSA-N 2 0 358.490 0.961 10 0 FCAERP COc1cccc([C@@H](CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)[NH+](C)C)c1 ZINC000418868011 489765850 /nfs/dbraw/zinc/76/58/50/489765850.db2.gz VNZSPLFDMJZCPB-DOTOQJQBSA-N 2 0 362.474 0.672 10 0 FCAERP CN1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000418899111 489781127 /nfs/dbraw/zinc/78/11/27/489781127.db2.gz BMAURERCPISJOI-CABCVRRESA-N 2 0 350.850 0.633 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000418900696 489782604 /nfs/dbraw/zinc/78/26/04/489782604.db2.gz DJRNYTDGDRLXCC-VDHUWJSZSA-N 2 0 358.486 0.991 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C[C@H]2CCOC2)C2CC2)C1 ZINC000376737187 489788174 /nfs/dbraw/zinc/78/81/74/489788174.db2.gz PHAAIFPMEVKXDR-AEFFLSMTSA-N 2 0 353.507 0.960 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000418917186 489790861 /nfs/dbraw/zinc/79/08/61/489790861.db2.gz YGYGFYUXJHMPKF-SVGFKBNWSA-N 2 0 374.485 0.777 10 0 FCAERP O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000418942173 489798178 /nfs/dbraw/zinc/79/81/78/489798178.db2.gz AKBNCSUGKOEJLL-CSNJMZFVSA-N 2 0 356.470 0.776 10 0 FCAERP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000419058020 489838327 /nfs/dbraw/zinc/83/83/27/489838327.db2.gz PDGMQTACMZOYOQ-IAGOWNOFSA-N 2 0 362.474 0.105 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420116275 489917923 /nfs/dbraw/zinc/91/79/23/489917923.db2.gz LAVVGYFKTQODRE-PBHICJAKSA-N 2 0 364.465 0.830 10 0 FCAERP CC1(CNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC[NH2+]CC1 ZINC000420121957 489919894 /nfs/dbraw/zinc/91/98/94/489919894.db2.gz NFBDKGYTOJGLLG-INIZCTEOSA-N 2 0 350.507 0.969 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420127223 489921523 /nfs/dbraw/zinc/92/15/23/489921523.db2.gz VDASYGQFQDCESA-BPQIPLTHSA-N 2 0 358.486 0.834 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420127226 489921749 /nfs/dbraw/zinc/92/17/49/489921749.db2.gz VDASYGQFQDCESA-NXHRZFHOSA-N 2 0 358.486 0.834 10 0 FCAERP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420201401 489950068 /nfs/dbraw/zinc/95/00/68/489950068.db2.gz ONESOGYMOWLFSW-OAHLLOKOSA-N 2 0 368.522 0.450 10 0 FCAERP CC[NH+]1CCN(CC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000462011122 489950390 /nfs/dbraw/zinc/95/03/90/489950390.db2.gz UINRLENLPLSRNF-SFHVURJKSA-N 2 0 351.539 0.252 10 0 FCAERP COCC[NH+]1CCC(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000477701436 489986050 /nfs/dbraw/zinc/98/60/50/489986050.db2.gz LEQUEDFSJHKUNJ-UHFFFAOYSA-N 2 0 368.522 0.450 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000477730648 489987931 /nfs/dbraw/zinc/98/79/31/489987931.db2.gz XRSLNDQIIJLERQ-OAHLLOKOSA-N 2 0 350.507 0.991 10 0 FCAERP CC1=CC[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000545150790 490085180 /nfs/dbraw/zinc/08/51/80/490085180.db2.gz WDFNNJJDLZRKQY-INIZCTEOSA-N 2 0 351.495 0.525 10 0 FCAERP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000496263113 490108963 /nfs/dbraw/zinc/10/89/63/490108963.db2.gz HYQXCBASAAFUJA-HOTGVXAUSA-N 2 0 367.538 0.070 10 0 FCAERP [NH3+]C1CCC(OCC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000520224610 490119025 /nfs/dbraw/zinc/11/90/25/490119025.db2.gz PPNZVPWYFVDNFF-UHFFFAOYSA-N 2 0 352.479 0.040 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000564337031 491301626 /nfs/dbraw/zinc/30/16/26/491301626.db2.gz KDBQUQURZXLMNM-HZPDHXFCSA-N 2 0 356.511 0.896 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346654 491302344 /nfs/dbraw/zinc/30/23/44/491302344.db2.gz FEIHHKKTWTVXJK-UYAOXDASSA-N 2 0 366.550 0.877 10 0 FCAERP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000446043816 490148504 /nfs/dbraw/zinc/14/85/04/490148504.db2.gz DZFBCNSXVBFGKG-UHFFFAOYSA-N 2 0 355.442 0.774 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422293183 490237993 /nfs/dbraw/zinc/23/79/93/490237993.db2.gz KMIGIHWIVWLLDO-JKSUJKDBSA-N 2 0 354.495 0.062 10 0 FCAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000422470195 490339065 /nfs/dbraw/zinc/33/90/65/490339065.db2.gz FVIZRMMNRROERC-NVXWUHKLSA-N 2 0 355.442 0.893 10 0 FCAERP Cc1cnc(N)c(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000534744259 490404748 /nfs/dbraw/zinc/40/47/48/490404748.db2.gz BUFVLPOENNEJHM-UHFFFAOYSA-N 2 0 357.524 0.866 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnnc1C ZINC000411403278 490449017 /nfs/dbraw/zinc/44/90/17/490449017.db2.gz WDXNLEHYFJYFKU-HNNXBMFYSA-N 2 0 362.478 0.598 10 0 FCAERP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000422879546 490491054 /nfs/dbraw/zinc/49/10/54/490491054.db2.gz MLDXBMQGROLLJP-AEFFLSMTSA-N 2 0 361.490 0.607 10 0 FCAERP CN1CCC([NH+]2CCC(NC(=O)COC3CCC([NH3+])CC3)CC2)CC1 ZINC000564914324 491336049 /nfs/dbraw/zinc/33/60/49/491336049.db2.gz BEXCANRYTUDNHH-UHFFFAOYSA-N 2 0 352.523 0.948 10 0 FCAERP C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)cn2)CCO1 ZINC000571908738 491336741 /nfs/dbraw/zinc/33/67/41/491336741.db2.gz ANINJRURFZRCLT-AEFFLSMTSA-N 2 0 363.506 0.005 10 0 FCAERP COC(=O)C(C)(C)N1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000501972389 490662138 /nfs/dbraw/zinc/66/21/38/490662138.db2.gz FYFDSVLYSFEBKG-UHFFFAOYSA-N 2 0 354.539 0.972 10 0 FCAERP C[NH+](C)C1(CNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CCOCC1 ZINC000502036710 490670278 /nfs/dbraw/zinc/67/02/78/490670278.db2.gz NFYLHGQULUHIOB-UHFFFAOYSA-N 2 0 361.490 0.674 10 0 FCAERP CN1CCN(c2ccncc2[N-]S(=O)(=O)c2cnc3n2CCC3)CC1 ZINC000526115007 490675552 /nfs/dbraw/zinc/67/55/52/490675552.db2.gz BCXZJPXMNJSTDH-UHFFFAOYSA-N 2 0 362.459 0.777 10 0 FCAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000572042888 491344995 /nfs/dbraw/zinc/34/49/95/491344995.db2.gz CYMNILFTGFBBQL-MAUKXSAKSA-N 2 0 362.518 0.920 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000527514349 490732239 /nfs/dbraw/zinc/73/22/39/490732239.db2.gz AOACQEAFZLEUJY-HNNXBMFYSA-N 2 0 362.478 0.168 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000572148994 491352141 /nfs/dbraw/zinc/35/21/41/491352141.db2.gz MURFEVWRTMYMBR-YSTOQKLRSA-N 2 0 372.513 0.341 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000565099126 491353525 /nfs/dbraw/zinc/35/35/25/491353525.db2.gz QQOPRQNVEWSZSW-ZWKOTPCHSA-N 2 0 368.522 0.774 10 0 FCAERP CS[C@@H]1CN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)C[C@H]1[NH+](C)C ZINC000540125057 490808679 /nfs/dbraw/zinc/80/86/79/490808679.db2.gz TZNYOAAPPVJQQJ-HZPDHXFCSA-N 2 0 363.531 0.951 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000515386402 490823592 /nfs/dbraw/zinc/82/35/92/490823592.db2.gz MBWLNBBWVLZBNN-XWTMOSNGSA-N 2 0 352.523 0.519 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000528730073 490823854 /nfs/dbraw/zinc/82/38/54/490823854.db2.gz UMHAPSBFOZDXJE-UHFFFAOYSA-N 2 0 364.534 0.916 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000540480785 490825221 /nfs/dbraw/zinc/82/52/21/490825221.db2.gz DGQWNXOPMKBCMA-UHFFFAOYSA-N 2 0 350.463 0.612 10 0 FCAERP COCCN(C)C[C@H](O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000515666017 490835191 /nfs/dbraw/zinc/83/51/91/490835191.db2.gz AUZDVEIUXMBEHB-IBGZPJMESA-N 2 0 363.502 0.954 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000505817498 490840598 /nfs/dbraw/zinc/84/05/98/490840598.db2.gz IPSDPGCFDRAVCN-CQSZACIVSA-N 2 0 367.494 0.191 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)[C@@H](C)C1 ZINC000529312096 490849848 /nfs/dbraw/zinc/84/98/48/490849848.db2.gz YCQFIFHAOPYEQS-JKSUJKDBSA-N 2 0 356.511 0.931 10 0 FCAERP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000516765877 490877354 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350.507 0.731 10 0 FCAERP CN1CCc2ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc21 ZINC000531480252 490960246 /nfs/dbraw/zinc/96/02/46/490960246.db2.gz DNMPMXHCTBJBNL-UHFFFAOYSA-N 2 0 354.520 0.793 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000519535463 490974869 /nfs/dbraw/zinc/97/48/69/490974869.db2.gz AGAKXBIRKVSQJR-XHSDSOJGSA-N 2 0 354.495 0.284 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000565301262 491368323 /nfs/dbraw/zinc/36/83/23/491368323.db2.gz PJJOZEWGXKVBGB-QGZVFWFLSA-N 2 0 363.458 0.540 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)CC1 ZINC000569597302 491172270 /nfs/dbraw/zinc/17/22/70/491172270.db2.gz OXTJWYVDWMAARO-ROUUACIJSA-N 2 0 355.523 0.142 10 0 FCAERP CCc1cc(N2CCC[C@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)ncn1 ZINC000565358646 491371818 /nfs/dbraw/zinc/37/18/18/491371818.db2.gz GCTNEHJVJTXUNJ-ROUUACIJSA-N 2 0 362.522 0.206 10 0 FCAERP 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491458488 /nfs/dbraw/zinc/45/84/88/491458488.db2.gz ODSRSJSMBUUCPE-GOSISDBHSA-N 2 0 369.531 0.885 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)[C@H](C)C1 ZINC000566704672 491462076 /nfs/dbraw/zinc/46/20/76/491462076.db2.gz XFLVNEWHRCEYEW-ANQUJSFKSA-N 2 0 350.507 0.917 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000668389270 493345885 /nfs/dbraw/zinc/34/58/85/493345885.db2.gz VLCMTTSWZYKSHY-HZPDHXFCSA-N 2 0 368.522 0.448 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000574392864 491493175 /nfs/dbraw/zinc/49/31/75/491493175.db2.gz JLXNZCNNNPTDAF-HXUWFJFHSA-N 2 0 364.509 0.988 10 0 FCAERP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nc1 ZINC000567569687 491514138 /nfs/dbraw/zinc/51/41/38/491514138.db2.gz SKINILWNOACNBV-YOEHRIQHSA-N 2 0 360.458 0.948 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000560295798 491529264 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HPEMDKOIQLCSBC-IRXDYDNUSA-N 2 0 366.506 0.158 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000561118375 491575839 /nfs/dbraw/zinc/57/58/39/491575839.db2.gz MNAPMTSBIJBLOM-SJORKVTESA-N 2 0 368.522 0.594 10 0 FCAERP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(CN4CCOCC4)cn3)[C@H]2C1 ZINC000568548635 491585362 /nfs/dbraw/zinc/58/53/62/491585362.db2.gz FBOPPPUNUOKDAZ-RBUKOAKNSA-N 2 0 374.485 0.849 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000576167156 491588821 /nfs/dbraw/zinc/58/88/21/491588821.db2.gz SKLWMDOPDIIBFR-JKSUJKDBSA-N 2 0 354.495 0.202 10 0 FCAERP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000577126255 491592982 /nfs/dbraw/zinc/59/29/82/491592982.db2.gz FTFIYSFJAFQGMV-HNNXBMFYSA-N 2 0 361.442 0.346 10 0 FCAERP CN1CC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000584498284 491597449 /nfs/dbraw/zinc/59/74/49/491597449.db2.gz IHYLBVASKJCWAL-LZQZEXGQSA-N 2 0 368.472 0.908 10 0 FCAERP 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ZINC000577607118 491635957 /nfs/dbraw/zinc/63/59/57/491635957.db2.gz OMSUQDRHIYZBIV-CVEARBPZSA-N 2 0 366.412 0.693 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2CN2CCOCC2)CC1 ZINC000577721984 491645754 /nfs/dbraw/zinc/64/57/54/491645754.db2.gz BGJRADNYXUSIJS-FQEVSTJZSA-N 2 0 362.518 0.217 10 0 FCAERP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668464640 493358993 /nfs/dbraw/zinc/35/89/93/493358993.db2.gz HWOUWFHHQWTUHR-INIZCTEOSA-N 2 0 367.538 0.118 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000577950453 491665457 /nfs/dbraw/zinc/66/54/57/491665457.db2.gz IYCSYAJUMKOVTO-CQSZACIVSA-N 2 0 364.494 0.822 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]([NH3+])CCC(=O)OC)cn2)CC1 ZINC000578129372 491670390 /nfs/dbraw/zinc/67/03/90/491670390.db2.gz BIBVXTYESLRBEX-OAHLLOKOSA-N 2 0 363.462 0.120 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668465928 493359752 /nfs/dbraw/zinc/35/97/52/493359752.db2.gz NFIIXFWUYQZNDL-GOSISDBHSA-N 2 0 373.501 0.715 10 0 FCAERP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC(c3c[nH]cn3)CC2)C1 ZINC000579189749 491692634 /nfs/dbraw/zinc/69/26/34/491692634.db2.gz RGAYXIMRWMLGHD-OAHLLOKOSA-N 2 0 362.478 0.886 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000579266584 491694419 /nfs/dbraw/zinc/69/44/19/491694419.db2.gz MVNJPTDLBLAQFH-SJORKVTESA-N 2 0 366.506 0.300 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000579353780 491696072 /nfs/dbraw/zinc/69/60/72/491696072.db2.gz ITTGFELVUXSZDK-LBPRGKRZSA-N 2 0 365.450 0.337 10 0 FCAERP CC[NH+](CC)CCOCCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000584806579 491715234 /nfs/dbraw/zinc/71/52/34/491715234.db2.gz FADIJFYJUJCMTK-UHFFFAOYSA-N 2 0 363.506 0.922 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668485528 493362006 /nfs/dbraw/zinc/36/20/06/493362006.db2.gz CKIQJAJCCXNLQA-GOSISDBHSA-N 2 0 373.501 0.715 10 0 FCAERP 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CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000649417623 492553265 /nfs/dbraw/zinc/55/32/65/492553265.db2.gz CTRRWJKTGKZAFG-RTBURBONSA-N 3 0 366.550 0.781 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656311892 492586109 /nfs/dbraw/zinc/58/61/09/492586109.db2.gz IXLBDCIGQFHWGW-GASCZTMLSA-N 2 0 368.522 0.448 10 0 FCAERP CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCCCO1 ZINC000656349255 492606964 /nfs/dbraw/zinc/60/69/64/492606964.db2.gz BBFGSTMHJSQCJK-HOTGVXAUSA-N 2 0 356.511 0.402 10 0 FCAERP C[NH2+]CCOCCN(C)CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000629568337 492647257 /nfs/dbraw/zinc/64/72/57/492647257.db2.gz JJYUFLFVTNGZKC-UHFFFAOYSA-N 2 0 365.474 0.756 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1=O ZINC000650556676 492650384 /nfs/dbraw/zinc/65/03/84/492650384.db2.gz TYIAJGXRDNSMFB-KRWDZBQOSA-N 2 0 361.490 0.705 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1=O ZINC000650642693 492657448 /nfs/dbraw/zinc/65/74/48/492657448.db2.gz IZEQORQIRNFQCK-OAHLLOKOSA-N 2 0 367.519 0.766 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2cccc3c2OC(F)(F)O3)CC1 ZINC000629607300 492658783 /nfs/dbraw/zinc/65/87/83/492658783.db2.gz RINXBCABLCARQM-CQSZACIVSA-N 2 0 357.401 0.749 10 0 FCAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000629800616 492678353 /nfs/dbraw/zinc/67/83/53/492678353.db2.gz XKLQAKUAZJCJPG-ZYSHUDEJSA-N 2 0 350.507 0.635 10 0 FCAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000629801705 492679074 /nfs/dbraw/zinc/67/90/74/492679074.db2.gz OHGITTQEBABQPJ-FFZOFVMBSA-N 2 0 362.518 0.635 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000629805170 492681223 /nfs/dbraw/zinc/68/12/23/492681223.db2.gz OZVLURZZGBCIPO-CVEARBPZSA-N 2 0 366.506 0.286 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000629805173 492681493 /nfs/dbraw/zinc/68/14/93/492681493.db2.gz OZVLURZZGBCIPO-JKSUJKDBSA-N 2 0 366.506 0.286 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000629806057 492682063 /nfs/dbraw/zinc/68/20/63/492682063.db2.gz TYQWPMJZDOKXPT-UHFFFAOYSA-N 2 0 368.522 0.533 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000629806111 492682143 /nfs/dbraw/zinc/68/21/43/492682143.db2.gz UXOJERRXCPOZLI-MRXNPFEDSA-N 2 0 366.506 0.300 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000629806110 492682337 /nfs/dbraw/zinc/68/23/37/492682337.db2.gz UXOJERRXCPOZLI-INIZCTEOSA-N 2 0 366.506 0.300 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000644513664 492780834 /nfs/dbraw/zinc/78/08/34/492780834.db2.gz JQWUKKCNKHWONX-HXUWFJFHSA-N 2 0 362.518 0.217 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000644529241 492782715 /nfs/dbraw/zinc/78/27/15/492782715.db2.gz FKTCWIPKFTZUIW-NVXWUHKLSA-N 2 0 368.472 0.989 10 0 FCAERP Cc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c(O[C@@H]2CCOC2)c1 ZINC000644589968 492789114 /nfs/dbraw/zinc/78/91/14/492789114.db2.gz NMYQPUWUUKGSCI-RBUKOAKNSA-N 2 0 363.502 0.861 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC000644584386 492789340 /nfs/dbraw/zinc/78/93/40/492789340.db2.gz VQXRGHPIPOWXCI-INIZCTEOSA-N 2 0 366.472 0.849 10 0 FCAERP C[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000658054201 492834137 /nfs/dbraw/zinc/83/41/37/492834137.db2.gz OPLCAZOONPQDNX-CJNGLKHVSA-N 2 0 368.503 0.456 10 0 FCAERP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000625747454 492878640 /nfs/dbraw/zinc/87/86/40/492878640.db2.gz PUQJSXRZPNUNLG-INIZCTEOSA-N 2 0 366.506 0.252 10 0 FCAERP Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631913539 492879237 /nfs/dbraw/zinc/87/92/37/492879237.db2.gz LHLWULLAQZRJHP-SFHVURJKSA-N 2 0 367.515 0.867 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000658427423 492885346 /nfs/dbraw/zinc/88/53/46/492885346.db2.gz DCSOZWMRJCJDJL-UHFFFAOYSA-N 2 0 373.461 0.206 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000631949814 492896052 /nfs/dbraw/zinc/89/60/52/492896052.db2.gz PYIHOAQJNYNHAP-SFHVURJKSA-N 2 0 372.579 0.665 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000631964627 492900222 /nfs/dbraw/zinc/90/02/22/492900222.db2.gz ITFZUSMBENNWQC-GOSISDBHSA-N 2 0 368.547 0.503 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@]3(CO)C2)C1 ZINC000626011719 492914328 /nfs/dbraw/zinc/91/43/28/492914328.db2.gz WASHUHBIGYWDEC-JENIJYKNSA-N 2 0 353.507 0.554 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000658529655 492930563 /nfs/dbraw/zinc/93/05/63/492930563.db2.gz FSQJYEUPUJQFJX-HZPDHXFCSA-N 2 0 354.495 0.108 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000645622641 492946894 /nfs/dbraw/zinc/94/68/94/492946894.db2.gz OKGPNBCZYKRNPX-YOEHRIQHSA-N 2 0 360.458 0.728 10 0 FCAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652678474 492987160 /nfs/dbraw/zinc/98/71/60/492987160.db2.gz CTXAVRQPUHWICC-HNNXBMFYSA-N 2 0 373.501 0.968 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000652714246 492998333 /nfs/dbraw/zinc/99/83/33/492998333.db2.gz HEAKLGOOTRTCSC-UHFFFAOYSA-N 2 0 366.506 0.335 10 0 FCAERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652713658 492998386 /nfs/dbraw/zinc/99/83/86/492998386.db2.gz UHBUHKALLNLQFX-UHFFFAOYSA-N 2 0 364.465 0.961 10 0 FCAERP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)CC2)C1 ZINC000646002813 492999405 /nfs/dbraw/zinc/99/94/05/492999405.db2.gz FXPGLGGRNVLYQW-JKSUJKDBSA-N 2 0 361.494 0.055 10 0 FCAERP [NH3+]C[C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(F)cc1 ZINC000646009525 492999850 /nfs/dbraw/zinc/99/98/50/492999850.db2.gz PJOUHMFNWCPXMO-ROUUACIJSA-N 2 0 364.465 0.391 10 0 FCAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009386 493000091 /nfs/dbraw/zinc/00/00/91/493000091.db2.gz GFSFQSDLJPTQMS-FGTMMUONSA-N 2 0 352.523 0.807 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000652733999 493010920 /nfs/dbraw/zinc/01/09/20/493010920.db2.gz WMWDTHDXBJGHAZ-UHFFFAOYSA-N 2 0 354.495 0.158 10 0 FCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CC[NH+]3C(C)(C)C)CC[C@H]21 ZINC000658705672 493019142 /nfs/dbraw/zinc/01/91/42/493019142.db2.gz KHHMCSZKOSMRIY-OWCLPIDISA-N 2 0 350.507 0.918 10 0 FCAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626801115 493021626 /nfs/dbraw/zinc/02/16/26/493021626.db2.gz ZYQNIKLPYREGRE-AWEZNQCLSA-N 2 0 360.458 0.954 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000626849054 493035458 /nfs/dbraw/zinc/03/54/58/493035458.db2.gz LIFBSWAGCASIJJ-MRXNPFEDSA-N 2 0 360.458 0.966 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000646292957 493038353 /nfs/dbraw/zinc/03/83/53/493038353.db2.gz MXOZLPFCYHKIRX-ZDUSSCGKSA-N 2 0 351.455 0.028 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C[NH2+]1 ZINC000626888825 493051677 /nfs/dbraw/zinc/05/16/77/493051677.db2.gz PTOPUUPCIWOUHU-QAPCUYQASA-N 2 0 373.501 0.629 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CCOCC[NH3+])cn2)CC1 ZINC000626932765 493066505 /nfs/dbraw/zinc/06/65/05/493066505.db2.gz PKTXCWHRYHEIRA-UHFFFAOYSA-N 2 0 364.494 0.340 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626964360 493071285 /nfs/dbraw/zinc/07/12/85/493071285.db2.gz QIEALIGQJNBNCM-CABCVRRESA-N 2 0 351.495 0.513 10 0 FCAERP C[NH+]1CCN(C[C@H](NC(=O)NCCOCCC[NH3+])c2ccccc2)CC1 ZINC000626968353 493071361 /nfs/dbraw/zinc/07/13/61/493071361.db2.gz QWMHEMGQBWLTSC-SFHVURJKSA-N 2 0 363.506 0.640 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000626971370 493071949 /nfs/dbraw/zinc/07/19/49/493071949.db2.gz GAIXBPREGOYCOG-JCGIZDLHSA-N 2 0 373.501 0.934 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCOCC2)[C@@H](C)C1 ZINC000626979442 493073811 /nfs/dbraw/zinc/07/38/11/493073811.db2.gz BOYROBBLDKSYGJ-JKSUJKDBSA-N 2 0 356.511 0.931 10 0 FCAERP CN1CCC(CNC(=O)NC[C@H]2COCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000626987780 493075925 /nfs/dbraw/zinc/07/59/25/493075925.db2.gz BOMPPMGZMPAIBD-INIZCTEOSA-N 2 0 353.511 0.224 10 0 FCAERP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000627117961 493090350 /nfs/dbraw/zinc/09/03/50/493090350.db2.gz MZZGIBSXTQTTKO-GOSISDBHSA-N 2 0 363.506 0.467 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627118365 493091111 /nfs/dbraw/zinc/09/11/11/493091111.db2.gz YXKQHPQESCKUNK-KDURUIRLSA-N 2 0 365.522 0.618 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000632818828 493091836 /nfs/dbraw/zinc/09/18/36/493091836.db2.gz OMVIZGGDJWNKDM-UHFFFAOYSA-N 2 0 358.446 0.811 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cn2)CC1 ZINC000633002805 493101921 /nfs/dbraw/zinc/10/19/21/493101921.db2.gz LURTWCPGXWJNTD-CZUORRHYSA-N 2 0 360.462 0.299 10 0 FCAERP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000658902313 493106039 /nfs/dbraw/zinc/10/60/39/493106039.db2.gz SIYULYCZCOWOCC-SFHVURJKSA-N 2 0 374.485 0.744 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000633098098 493124449 /nfs/dbraw/zinc/12/44/49/493124449.db2.gz KCSRHYCGJAWHJC-DLBZAZTESA-N 2 0 368.522 0.676 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)CCCCC(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)[C@H]2C1 ZINC000646919852 493126064 /nfs/dbraw/zinc/12/60/64/493126064.db2.gz MDZJCLXDMZCGHI-FZDBZEDMSA-N 2 0 362.518 0.872 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633108079 493130065 /nfs/dbraw/zinc/13/00/65/493130065.db2.gz BIVOOQUSXYJYJK-UHFFFAOYSA-N 2 0 354.495 0.158 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000633110090 493131137 /nfs/dbraw/zinc/13/11/37/493131137.db2.gz HGQXLAPLTUGOGS-NXHRZFHOSA-N 2 0 358.486 0.425 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)c1cccs1 ZINC000627290140 493136074 /nfs/dbraw/zinc/13/60/74/493136074.db2.gz GFWWRHVNVFNYKY-OCCSQVGLSA-N 2 0 350.488 0.868 10 0 FCAERP COc1cccc([C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)[NH+](C)C)c1 ZINC000627292454 493136341 /nfs/dbraw/zinc/13/63/41/493136341.db2.gz VKWHBVNINBLEAZ-SJORKVTESA-N 2 0 374.485 0.815 10 0 FCAERP COc1cccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)[NH+](C)C)c1 ZINC000627292452 493136614 /nfs/dbraw/zinc/13/66/14/493136614.db2.gz VKWHBVNINBLEAZ-IAGOWNOFSA-N 2 0 374.485 0.815 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@H]1c1ccccc1 ZINC000627297319 493139370 /nfs/dbraw/zinc/13/93/70/493139370.db2.gz HJWZLFIWWBVQJB-GVDBMIGSSA-N 2 0 356.470 0.949 10 0 FCAERP CC1CC[NH+](C2CCC(NC(=O)C(=O)NCCOCCC[NH3+])CC2)CC1 ZINC000627296605 493139593 /nfs/dbraw/zinc/13/95/93/493139593.db2.gz MINQMZDWNUPNSS-UHFFFAOYSA-N 2 0 368.522 0.627 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297407 493140665 /nfs/dbraw/zinc/14/06/65/493140665.db2.gz JEXLOQFFTCSPLS-HUUCEWRRSA-N 2 0 354.495 0.108 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)[C@@H]1c1ccccc1 ZINC000627297606 493140705 /nfs/dbraw/zinc/14/07/05/493140705.db2.gz OFNVRHUKKUOEKF-HOTGVXAUSA-N 2 0 360.458 0.172 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)CCCCCC1 ZINC000627300811 493141516 /nfs/dbraw/zinc/14/15/16/493141516.db2.gz MGVXVIQDMGUNOZ-UHFFFAOYSA-N 2 0 354.495 0.381 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000627304476 493143092 /nfs/dbraw/zinc/14/30/92/493143092.db2.gz WMTPZHUILGVJCG-MAUKXSAKSA-N 2 0 374.485 0.644 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000627312403 493146410 /nfs/dbraw/zinc/14/64/10/493146410.db2.gz XUNKQOYCDYZUCF-HRCADAONSA-N 2 0 356.511 0.163 10 0 FCAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627312424 493146910 /nfs/dbraw/zinc/14/69/10/493146910.db2.gz YILMOWHTFFQYLN-QKPAOTATSA-N 2 0 350.507 0.870 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)[C@H](C)C1 ZINC000627313686 493147470 /nfs/dbraw/zinc/14/74/70/493147470.db2.gz KQRAQUSVXSMXBQ-LTIDMASMSA-N 2 0 368.522 0.496 10 0 FCAERP C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)cccc21 ZINC000659100030 493152621 /nfs/dbraw/zinc/15/26/21/493152621.db2.gz IFRSHZLMAUYGGC-IHBYNMNLSA-N 2 0 358.442 0.960 10 0 FCAERP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659102497 493153688 /nfs/dbraw/zinc/15/36/88/493153688.db2.gz DGCSYPGRJPMLNS-IAGOWNOFSA-N 2 0 360.458 0.887 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627328586 493156296 /nfs/dbraw/zinc/15/62/96/493156296.db2.gz GWDZGVQWHJOIJX-AHRSYUTCSA-N 2 0 364.534 0.929 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000627334449 493158515 /nfs/dbraw/zinc/15/85/15/493158515.db2.gz RAKSHFADOPVFCM-KRWDZBQOSA-N 2 0 368.522 0.594 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[NH2+]1 ZINC000627338759 493161251 /nfs/dbraw/zinc/16/12/51/493161251.db2.gz POJIORKRMUFBRL-GOEBONIOSA-N 2 0 362.474 0.500 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[NH2+]1 ZINC000627338843 493161850 /nfs/dbraw/zinc/16/18/50/493161850.db2.gz RWDOBZXJVSYSHJ-HOCLYGCPSA-N 2 0 362.474 0.500 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1c1ccc(F)cc1 ZINC000647093590 493162640 /nfs/dbraw/zinc/16/26/40/493162640.db2.gz SDDYGMIGFUANQJ-BBWFWOEESA-N 2 0 362.449 0.727 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627342452 493163046 /nfs/dbraw/zinc/16/30/46/493163046.db2.gz GNWSUPCDKNFZBN-CYGHRXIMSA-N 2 0 358.486 0.880 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627342453 493163144 /nfs/dbraw/zinc/16/31/44/493163144.db2.gz GNWSUPCDKNFZBN-MXSMSXNCSA-N 2 0 358.486 0.880 10 0 FCAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627357486 493174053 /nfs/dbraw/zinc/17/40/53/493174053.db2.gz HSPDPWCPLMJBPX-BZUAXINKSA-N 2 0 350.507 0.871 10 0 FCAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627357657 493174311 /nfs/dbraw/zinc/17/43/11/493174311.db2.gz MFMUGSHWELXUBD-SMOSDQRPSA-N 2 0 364.534 0.929 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627357656 493174712 /nfs/dbraw/zinc/17/47/12/493174712.db2.gz MFMUGSHWELXUBD-NFQUHZNNSA-N 2 0 364.534 0.929 10 0 FCAERP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1(C)C ZINC000647209236 493177870 /nfs/dbraw/zinc/17/78/70/493177870.db2.gz ZPNMHFMECOBMGY-UHFFFAOYSA-N 2 0 358.483 0.589 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627366874 493180956 /nfs/dbraw/zinc/18/09/56/493180956.db2.gz DQQUSMLKAYKOQH-MVJTYMMSSA-N 2 0 358.486 0.880 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627366873 493181355 /nfs/dbraw/zinc/18/13/55/493181355.db2.gz DQQUSMLKAYKOQH-LMSBXDPUSA-N 2 0 358.486 0.880 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627367589 493182861 /nfs/dbraw/zinc/18/28/61/493182861.db2.gz YNTXKNDGVWBJGQ-OAHLLOKOSA-N 2 0 352.479 0.004 10 0 FCAERP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653828413 493188032 /nfs/dbraw/zinc/18/80/32/493188032.db2.gz NNAFYLIXQJKBAL-OJAHFUOMSA-N 2 0 372.513 0.516 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H]1c1ccccc1 ZINC000659472863 493188725 /nfs/dbraw/zinc/18/87/25/493188725.db2.gz DBYJZFMSOOJCJW-WMLDXEAASA-N 2 0 356.430 0.886 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[NH2+]1 ZINC000627385681 493193909 /nfs/dbraw/zinc/19/39/09/493193909.db2.gz RXBOWEIIODROLK-GJZGRUSLSA-N 2 0 368.547 0.721 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)COC2(C)C[NH2+]C2)cc1F ZINC000659355801 493196996 /nfs/dbraw/zinc/19/69/96/493196996.db2.gz OVTWCQVDBHDGIR-ZFWWWQNUSA-N 2 0 351.422 0.775 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627392806 493200392 /nfs/dbraw/zinc/20/03/92/493200392.db2.gz GBCGIOXYYPWSCI-HNNXBMFYSA-N 2 0 366.506 0.393 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000627404817 493204875 /nfs/dbraw/zinc/20/48/75/493204875.db2.gz OPLWLHAQZFENAV-CVEARBPZSA-N 2 0 366.506 0.476 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000627412263 493207160 /nfs/dbraw/zinc/20/71/60/493207160.db2.gz GNBXSVGRZVZGGC-JKSUJKDBSA-N 2 0 366.506 0.333 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000659561414 493212767 /nfs/dbraw/zinc/21/27/67/493212767.db2.gz KNRCMRYIQSBTAE-UHFFFAOYSA-N 2 0 353.511 0.666 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000627425326 493214184 /nfs/dbraw/zinc/21/41/84/493214184.db2.gz MAFZOAQYWSWCJC-WUHRBBMRSA-N 2 0 364.412 0.429 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000659679323 493247124 /nfs/dbraw/zinc/24/71/24/493247124.db2.gz HDKMXAVNOSIXKW-IKGGRYGDSA-N 2 0 368.522 0.360 10 0 FCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659682844 493249541 /nfs/dbraw/zinc/24/95/41/493249541.db2.gz OZCJLEIMDOBLGP-MVBZYYNJSA-N 2 0 356.470 0.888 10 0 FCAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659682846 493250258 /nfs/dbraw/zinc/25/02/58/493250258.db2.gz OZCJLEIMDOBLGP-VWZCOVNWSA-N 2 0 356.470 0.888 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000659689245 493254338 /nfs/dbraw/zinc/25/43/38/493254338.db2.gz XWHUONRKTBIXBE-MPQSDHOMSA-N 2 0 370.497 0.617 10 0 FCAERP CC(C)[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[NH+]1CCC(C)CC1 ZINC000659694981 493257609 /nfs/dbraw/zinc/25/76/09/493257609.db2.gz PQCCGSKRFATZLP-WUJZJPHMSA-N 2 0 350.507 0.809 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C[N@@H+]1C1CC1 ZINC000659694225 493257861 /nfs/dbraw/zinc/25/78/61/493257861.db2.gz SALPAKLWYARKRI-DJIMGWMZSA-N 2 0 362.518 0.966 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659697109 493258594 /nfs/dbraw/zinc/25/85/94/493258594.db2.gz OVLKPADTBANIJY-JJXOGSGTSA-N 2 0 370.497 0.963 10 0 FCAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659698734 493260147 /nfs/dbraw/zinc/26/01/47/493260147.db2.gz KRQFMMZZEAPBRP-RXDZZFBJSA-N 2 0 350.507 0.810 10 0 FCAERP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000659703634 493263516 /nfs/dbraw/zinc/26/35/16/493263516.db2.gz CGQGVTHUXFDFCW-PKSQDBQZSA-N 2 0 364.412 0.632 10 0 FCAERP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659715357 493268448 /nfs/dbraw/zinc/26/84/48/493268448.db2.gz PAKQEBDHQGVDHG-NVXWUHKLSA-N 2 0 358.486 0.868 10 0 FCAERP C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000682193002 493276702 /nfs/dbraw/zinc/27/67/02/493276702.db2.gz QIRLWLPDRKQMJM-ZDUSSCGKSA-N 2 0 350.467 0.230 10 0 FCAERP CN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659741284 493280879 /nfs/dbraw/zinc/28/08/79/493280879.db2.gz SUCAAAQKPKKKRN-QGZVFWFLSA-N 2 0 358.486 0.822 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000659741734 493281438 /nfs/dbraw/zinc/28/14/38/493281438.db2.gz NCLCRCOIWZUPJF-HZPDHXFCSA-N 2 0 354.495 0.047 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000659743344 493282680 /nfs/dbraw/zinc/28/26/80/493282680.db2.gz YRTCOKHVXCYTFW-OIISXLGYSA-N 2 0 350.507 0.951 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nnn(C(C)(C)C)n1 ZINC000667811415 493303379 /nfs/dbraw/zinc/30/33/79/493303379.db2.gz LNTGJFRPGDITBH-AWEZNQCLSA-N 2 0 351.499 0.916 10 0 FCAERP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000682670519 493316677 /nfs/dbraw/zinc/31/66/77/493316677.db2.gz XSTBPFWLZJKMKT-UHFFFAOYSA-N 2 0 364.494 0.718 10 0 FCAERP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000660090045 493323413 /nfs/dbraw/zinc/32/34/13/493323413.db2.gz GVSZTWFCMUWGQS-KRWDZBQOSA-N 2 0 367.515 0.968 10 0 FCAERP CCN(C(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668511679 493367844 /nfs/dbraw/zinc/36/78/44/493367844.db2.gz GRKQILSRYFFVQI-KRWDZBQOSA-N 2 0 367.538 0.073 10 0 FCAERP CCN(C(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668511685 493367930 /nfs/dbraw/zinc/36/79/30/493367930.db2.gz GRKQILSRYFFVQI-QGZVFWFLSA-N 2 0 367.538 0.073 10 0 FCAERP C[NH+](C/C=C\C[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000660648772 493369639 /nfs/dbraw/zinc/36/96/39/493369639.db2.gz WZVGTUKSTTXHHO-QKTWIXTGSA-N 2 0 364.534 0.352 10 0 FCAERP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C/C=C/CN1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000660826118 493382667 /nfs/dbraw/zinc/38/26/67/493382667.db2.gz ZFUCPCILDCMBAC-ZFTSPJNCSA-N 2 0 368.566 0.316 10 0 FCAERP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000668610255 493383975 /nfs/dbraw/zinc/38/39/75/493383975.db2.gz RCUATLBCLRRKEG-ZWKOTPCHSA-N 2 0 360.502 0.876 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cn1 ZINC000674285182 493405547 /nfs/dbraw/zinc/40/55/47/493405547.db2.gz SGKFPBZMIOGWHC-OAHLLOKOSA-N 2 0 350.467 0.631 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668789154 493410989 /nfs/dbraw/zinc/41/09/89/493410989.db2.gz PFAIGRWHBCBWEN-MRXNPFEDSA-N 2 0 368.522 0.593 10 0 FCAERP C(=C\C[N@@H+]1CC[C@@H](Cn2ccnn2)C1)\C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143369 493411876 /nfs/dbraw/zinc/41/18/76/493411876.db2.gz UBGRGVBBHJIHJJ-OEHAVNEVSA-N 2 0 356.478 0.770 10 0 FCAERP C[C@H](CC[N@@H+]1CC[C@H](Cn2ccnn2)C1)[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661146159 493411920 /nfs/dbraw/zinc/41/19/20/493411920.db2.gz RXFGWNBBVQGNCU-FGTMMUONSA-N 2 0 358.494 0.992 10 0 FCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668795052 493412923 /nfs/dbraw/zinc/41/29/23/493412923.db2.gz VEBGRMJZKLPDLY-DLBZAZTESA-N 2 0 368.522 0.546 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2[C@@H](C)CO)C1 ZINC000661431031 493437107 /nfs/dbraw/zinc/43/71/07/493437107.db2.gz BEGBUJNVVIIVAT-KSZLIROESA-N 2 0 355.523 0.942 10 0 FCAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668934407 493440381 /nfs/dbraw/zinc/44/03/81/493440381.db2.gz NAWHHBACVRUWEX-SJORKVTESA-N 2 0 368.522 0.546 10 0 FCAERP C[C@@H](NC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C(C)(C)C[NH+](C)C ZINC000669144727 493468526 /nfs/dbraw/zinc/46/85/26/493468526.db2.gz UKBNPDSDDSCONM-GDBMZVCRSA-N 2 0 368.522 0.137 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1=O ZINC000662134531 493491599 /nfs/dbraw/zinc/49/15/99/493491599.db2.gz KCCGFULUYJXLPS-GOSISDBHSA-N 2 0 373.501 0.676 10 0 FCAERP C[C@H]1COCCN1CCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000669461700 493505267 /nfs/dbraw/zinc/50/52/67/493505267.db2.gz UGPCEOPZMLVVFI-GTPINHCMSA-N 2 0 353.511 0.223 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662450982 493516871 /nfs/dbraw/zinc/51/68/71/493516871.db2.gz XLKHWHFIDKXLTG-HZPDHXFCSA-N 2 0 360.506 0.729 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000676090135 493522435 /nfs/dbraw/zinc/52/24/35/493522435.db2.gz RAEZLRWKAXGRSX-UHFFFAOYSA-N 2 0 350.467 0.375 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676089891 493522864 /nfs/dbraw/zinc/52/28/64/493522864.db2.gz OSHNOMHVTLRTQG-UHFFFAOYSA-N 2 0 360.418 0.290 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1F ZINC000662517782 493522997 /nfs/dbraw/zinc/52/29/97/493522997.db2.gz MEVMSBYFFQAGRW-AWEZNQCLSA-N 2 0 366.437 0.915 10 0 FCAERP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676094033 493523652 /nfs/dbraw/zinc/52/36/52/493523652.db2.gz ZNFXTPBDBMZAKC-CQSZACIVSA-N 2 0 350.467 0.231 10 0 FCAERP COCC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676092619 493523673 /nfs/dbraw/zinc/52/36/73/493523673.db2.gz MRZIBYOHCUIPIZ-UHFFFAOYSA-N 2 0 372.429 0.433 10 0 FCAERP CN(C)CC[NH+]1CCC(CNC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662526297 493523734 /nfs/dbraw/zinc/52/37/34/493523734.db2.gz BRDIRBWMOSPHRU-UHFFFAOYSA-N 2 0 363.510 0.206 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000676128929 493526527 /nfs/dbraw/zinc/52/65/27/493526527.db2.gz GKFFBZHEXPUITD-IAGOWNOFSA-N 2 0 364.494 0.944 10 0 FCAERP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662660687 493530187 /nfs/dbraw/zinc/53/01/87/493530187.db2.gz YKIVJESYDNYDKK-UHFFFAOYSA-N 2 0 351.451 0.234 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662683618 493531551 /nfs/dbraw/zinc/53/15/51/493531551.db2.gz QUMKOEPQRZWZRS-OAHLLOKOSA-N 2 0 350.467 0.435 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CCSC1 ZINC000662682778 493531574 /nfs/dbraw/zinc/53/15/74/493531574.db2.gz UXAQNTOTTOFIAU-CJNGLKHVSA-N 2 0 352.508 0.760 10 0 FCAERP [NH3+]C1(C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC2(CCC2)C1 ZINC000662815087 493544433 /nfs/dbraw/zinc/54/44/33/493544433.db2.gz HFOJWGLLDBAICW-LSDHHAIUSA-N 2 0 361.490 0.395 10 0 FCAERP O=C(N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1([NH2+]C2CC2)CCC1 ZINC000662816116 493544639 /nfs/dbraw/zinc/54/46/39/493544639.db2.gz MTCNLSKZCZXOAA-CVEARBPZSA-N 2 0 361.490 0.408 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662857275 493547502 /nfs/dbraw/zinc/54/75/02/493547502.db2.gz JSPJZLKZXIAXGV-OAHLLOKOSA-N 2 0 351.499 0.206 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000662867411 493548334 /nfs/dbraw/zinc/54/83/34/493548334.db2.gz XNFBDVNVKNRWNH-ULQDDVLXSA-N 2 0 360.458 0.125 10 0 FCAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000662868441 493548693 /nfs/dbraw/zinc/54/86/93/493548693.db2.gz IQLOTROYRLCBEZ-KSZLIROESA-N 2 0 374.485 0.515 10 0 FCAERP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662924051 493553823 /nfs/dbraw/zinc/55/38/23/493553823.db2.gz OORNRCSKQFLDBV-UHFFFAOYSA-N 2 0 370.497 0.979 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662930492 493555263 /nfs/dbraw/zinc/55/52/63/493555263.db2.gz RECSWSUIALMOBP-KRWDZBQOSA-N 2 0 368.522 0.261 10 0 FCAERP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2)CC1 ZINC000662931051 493555845 /nfs/dbraw/zinc/55/58/45/493555845.db2.gz ZRKSBDFKVPQPOU-BRWVUGGUSA-N 2 0 368.497 0.855 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662931033 493555940 /nfs/dbraw/zinc/55/59/40/493555940.db2.gz ZHDILLAWMZMQKJ-QGZVFWFLSA-N 2 0 350.507 0.779 10 0 FCAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662946037 493559134 /nfs/dbraw/zinc/55/91/34/493559134.db2.gz MGDOJSLJGDEAEW-UHFFFAOYSA-N 2 0 350.488 0.588 10 0 FCAERP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662953280 493559804 /nfs/dbraw/zinc/55/98/04/493559804.db2.gz LYIYHEOXJATTHY-HOTGVXAUSA-N 2 0 354.495 0.014 10 0 FCAERP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662953266 493559822 /nfs/dbraw/zinc/55/98/22/493559822.db2.gz LSOGLCUDZHDJDB-HOTGVXAUSA-N 2 0 354.495 0.156 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CCO1 ZINC000662952789 493560124 /nfs/dbraw/zinc/56/01/24/493560124.db2.gz HIVSYLLCQGMCOF-CVEARBPZSA-N 2 0 354.495 0.143 10 0 FCAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662951897 493560175 /nfs/dbraw/zinc/56/01/75/493560175.db2.gz PLZZGYCTZZJVGZ-HRCADAONSA-N 2 0 354.495 0.284 10 0 FCAERP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016646 493566458 /nfs/dbraw/zinc/56/64/58/493566458.db2.gz HKMDKXYEPFYPAE-FTRWYGJKSA-N 2 0 372.517 0.915 10 0 FCAERP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016196 493566509 /nfs/dbraw/zinc/56/65/09/493566509.db2.gz BJYPRUOCMLVDEQ-GJZGRUSLSA-N 2 0 364.494 0.278 10 0 FCAERP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491614 493592777 /nfs/dbraw/zinc/59/27/77/493592777.db2.gz KHCZTUZQDYPLQV-KRWDZBQOSA-N 2 0 355.442 0.002 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671106052 493635644 /nfs/dbraw/zinc/63/56/44/493635644.db2.gz XPZGAFFARULFQO-IAGOWNOFSA-N 2 0 350.507 0.968 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCc1nnc2n1CCC2 ZINC000664371252 493656122 /nfs/dbraw/zinc/65/61/22/493656122.db2.gz JCTAREOOOWQVLQ-AWEZNQCLSA-N 2 0 351.499 0.338 10 0 FCAERP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CCCO1 ZINC000664759360 493681711 /nfs/dbraw/zinc/68/17/11/493681711.db2.gz UHANIRIPLNSAIN-SJLPKXTDSA-N 2 0 368.522 0.728 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000664815903 493684834 /nfs/dbraw/zinc/68/48/34/493684834.db2.gz WMQPZARZIWOMET-QGZVFWFLSA-N 2 0 369.554 0.765 10 0 FCAERP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000671821717 493707731 /nfs/dbraw/zinc/70/77/31/493707731.db2.gz BEMBCKHXBKSXIT-INIZCTEOSA-N 2 0 362.474 0.454 10 0 FCAERP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000672118172 493737221 /nfs/dbraw/zinc/73/72/21/493737221.db2.gz QNQITMVNCIDMQI-MSOLQXFVSA-N 2 0 358.486 0.835 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(COC)n[nH]1 ZINC000666118937 493758079 /nfs/dbraw/zinc/75/80/79/493758079.db2.gz MCEGAAAHHIVWER-CQSZACIVSA-N 2 0 367.498 0.509 10 0 FCAERP C(CC[N@@H+]1CC[C@@H](N2CCOCC2)C1)C[NH+]1CC[C@@H](N2CCOCC2)C1 ZINC000247172972 527478366 /nfs/dbraw/zinc/47/83/66/527478366.db2.gz RFMBJBFJSZZTKC-WOJBJXKFSA-N 2 0 366.550 0.580 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C[C@H]2CCC(=O)N2)C(C)C)C1 ZINC000412083275 528016410 /nfs/dbraw/zinc/01/64/10/528016410.db2.gz PSMQXIOYWISNLM-IAGOWNOFSA-N 2 0 368.522 0.448 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419786517 535666588 /nfs/dbraw/zinc/66/65/88/535666588.db2.gz VCQBJSWWCISULL-OIISXLGYSA-N 2 0 368.522 0.578 10 0 FCAERP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424181946 535865641 /nfs/dbraw/zinc/86/56/41/535865641.db2.gz SETGDGGNUIVDNP-INIZCTEOSA-N 2 0 357.462 0.802 10 0 FCAERP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424181947 535865721 /nfs/dbraw/zinc/86/57/21/535865721.db2.gz SETGDGGNUIVDNP-MRXNPFEDSA-N 2 0 357.462 0.802 10 0 FCAERP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423358185 535868833 /nfs/dbraw/zinc/86/88/33/535868833.db2.gz BIHJNOHUNDWVMG-ZBFHGGJFSA-N 2 0 364.515 0.849 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414822799 536355240 /nfs/dbraw/zinc/35/52/40/536355240.db2.gz CPXOJERMNLMKSX-GOSISDBHSA-N 2 0 373.501 0.712 10 0 FCAERP CC(C)C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[NH+](C)C ZINC000125316049 546540469 /nfs/dbraw/zinc/54/04/69/546540469.db2.gz DDIHUWJFNZDXFX-HNNXBMFYSA-N 2 0 352.483 0.476 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000590853752 546593214 /nfs/dbraw/zinc/59/32/14/546593214.db2.gz KYRMZQSEPKYBGK-DLBZAZTESA-N 2 0 354.495 0.339 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000550838636 547110019 /nfs/dbraw/zinc/11/00/19/547110019.db2.gz KHTAKRHITDMIQZ-SFHVURJKSA-N 2 0 370.563 0.778 10 0 FCAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000550904307 547114682 /nfs/dbraw/zinc/11/46/82/547114682.db2.gz VIBIJFUZLLNQEC-OWCLPIDISA-N 2 0 350.507 0.966 10 0 FCAERP C[C@@H](CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)C[NH+]1CCCC1 ZINC000551470086 547147322 /nfs/dbraw/zinc/14/73/22/547147322.db2.gz JIYQMFCTHYQCAZ-GTPINHCMSA-N 2 0 350.507 0.968 10 0 FCAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000552362382 547203904 /nfs/dbraw/zinc/20/39/04/547203904.db2.gz VIJHJMCEQBAXCJ-RDJZCZTQSA-N 2 0 350.507 0.918 10 0 FCAERP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000553278158 547265616 /nfs/dbraw/zinc/26/56/16/547265616.db2.gz JOHOYKHFICQSNW-HOTGVXAUSA-N 2 0 354.495 0.156 10 0 FCAERP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000553278157 547265634 /nfs/dbraw/zinc/26/56/34/547265634.db2.gz JOHOYKHFICQSNW-CVEARBPZSA-N 2 0 354.495 0.156 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C[NH+](C)C ZINC000929105945 665718040 /nfs/dbraw/zinc/71/80/40/665718040.db2.gz PRWFFJVQRVMQJZ-CQSZACIVSA-N 2 0 356.511 0.495 10 0 FCAERP CCO[C@@H](CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C[NH+](C)C ZINC000926840454 664134348 /nfs/dbraw/zinc/13/43/48/664134348.db2.gz FZEKXLVPTQENSN-INIZCTEOSA-N 2 0 357.543 0.668 10 0 FCAERP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000925767506 664470195 /nfs/dbraw/zinc/47/01/95/664470195.db2.gz VILNIYKHDKYCKF-QLFBSQMISA-N 2 0 359.536 0.984 10 0 FCAERP C[C@@H]1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000897263206 665157946 /nfs/dbraw/zinc/15/79/46/665157946.db2.gz GCPIGURAZJZKSC-NJAFHUGGSA-N 2 0 350.507 0.192 10 0 FCAERP O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925165099 665176129 /nfs/dbraw/zinc/17/61/29/665176129.db2.gz QUDNNLFAAGIWMI-HRCADAONSA-N 2 0 356.536 0.712 10 0 FCAERP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C23CC[NH+](CC2)C3)c1 ZINC000907400338 666128788 /nfs/dbraw/zinc/12/87/88/666128788.db2.gz MLZGCWQZTPZRDT-UHFFFAOYSA-N 2 0 366.487 0.561 10 0 FCAERP CC(C)[N@H+](CCO)CC1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000910878199 666286512 /nfs/dbraw/zinc/28/65/12/666286512.db2.gz PIHREDWWFVLRKJ-SFHVURJKSA-N 2 0 353.507 0.648 10 0 FCAERP CC[NH+]1CCC(N2CCCN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)CC1 ZINC000911191112 666320985 /nfs/dbraw/zinc/32/09/85/666320985.db2.gz ZCAKXPKERAGZRY-MJGOQNOKSA-N 2 0 352.523 0.460 10 0 FCAERP C/C(=C/C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)CN1CCOCC1 ZINC000913436214 666526569 /nfs/dbraw/zinc/52/65/69/666526569.db2.gz GLIWLCQYMCIXAH-ZGOZOZORSA-N 2 0 352.523 0.463 10 0 FCAERP CN1CCN([C@@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000923596551 666642097 /nfs/dbraw/zinc/64/20/97/666642097.db2.gz HHHHIPFSIORIJC-CABCVRRESA-N 2 0 372.560 0.708 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000921718651 667467947 /nfs/dbraw/zinc/46/79/47/667467947.db2.gz KFQUBKBFGRQROO-UHFFFAOYSA-N 2 0 372.579 0.950 10 0 FCAERP C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)CC1(C)C ZINC000922347338 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CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)[C@@H]1C)[NH+](CC)CC ZINC001489290797 1208721103 /nfs/dbraw/zinc/72/11/03/1208721103.db2.gz FNLNMGXNHSAJIY-ILXRZTDVSA-N 2 0 367.494 0.238 10 0 FCAERP C[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001489272873 1208749907 /nfs/dbraw/zinc/74/99/07/1208749907.db2.gz DYODKCCSZHNBOL-DLBZAZTESA-N 2 0 362.518 0.873 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001489370709 1208795490 /nfs/dbraw/zinc/79/54/90/1208795490.db2.gz XGAIVZYOHGMYIB-DLBZAZTESA-N 2 0 362.474 0.406 10 0 FCAERP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O)C1CCC1 ZINC001489361802 1208822031 /nfs/dbraw/zinc/82/20/31/1208822031.db2.gz HHLBNTCPJKLTTQ-HZPDHXFCSA-N 2 0 366.506 0.033 10 0 FCAERP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001489524179 1208879214 /nfs/dbraw/zinc/87/92/14/1208879214.db2.gz WPXBMRKNDJWSPR-KLHDSHLOSA-N 2 0 354.495 0.010 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1O ZINC001489582817 1208997279 /nfs/dbraw/zinc/99/72/79/1208997279.db2.gz GXZBSVDZPQMKDK-SJORKVTESA-N 2 0 368.522 0.282 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001489586360 1209004995 /nfs/dbraw/zinc/00/49/95/1209004995.db2.gz LUPPHDSBLYEOGW-KGLIPLIRSA-N 2 0 368.503 0.063 10 0 FCAERP C[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001489667805 1209079897 /nfs/dbraw/zinc/07/98/97/1209079897.db2.gz SZTQSWHWEHQUFT-NVXWUHKLSA-N 2 0 366.506 0.108 10 0 FCAERP CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001490094233 1209252637 /nfs/dbraw/zinc/25/26/37/1209252637.db2.gz JUXBFNYAXLJBEW-BBWFWOEESA-N 2 0 368.522 0.402 10 0 FCAERP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1)[NH+](C)C ZINC001490238213 1209283248 /nfs/dbraw/zinc/28/32/48/1209283248.db2.gz ULMOKRBTYIQIGG-MDZRGWNJSA-N 2 0 364.534 0.975 10 0 FCAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC1CCOCC1 ZINC001490329823 1209320881 /nfs/dbraw/zinc/32/08/81/1209320881.db2.gz XNPXJNVAKQLEBE-NVXWUHKLSA-N 2 0 368.522 0.450 10 0 FCAERP COCCOC[C@H](O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001490407361 1209344913 /nfs/dbraw/zinc/34/49/13/1209344913.db2.gz LMWLGYDCAYIAHP-KBAYOESNSA-N 2 0 371.522 0.273 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)C1 ZINC001490458830 1209364606 /nfs/dbraw/zinc/36/46/06/1209364606.db2.gz GKQZLJWYRVFAEE-BRWVUGGUSA-N 2 0 352.523 0.881 10 0 FCAERP C[C@]1(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+](Cc2ccccc2)C1 ZINC000851687061 1209513541 /nfs/dbraw/zinc/51/35/41/1209513541.db2.gz YLOWNYSELQNFDI-TWMPVWRBSA-N 2 0 370.497 0.883 10 0 FCAERP C[N@H+](CCN1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1)Cc1ccccc1 ZINC000852867258 1209569270 /nfs/dbraw/zinc/56/92/70/1209569270.db2.gz SJSIMDIXTMDZTQ-KRWDZBQOSA-N 2 0 359.474 0.366 10 0 FCAERP [NH3+]C[C@H]1CC(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)=NO1 ZINC000852866670 1209569704 /nfs/dbraw/zinc/56/97/04/1209569704.db2.gz JWGGUFSGEWPOOE-MRXNPFEDSA-N 2 0 373.457 0.232 10 0 FCAERP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C3=NO[C@H](C[NH3+])C3)c2)C1 ZINC000852866171 1209569782 /nfs/dbraw/zinc/56/97/82/1209569782.db2.gz UJWPPIYTSXFGMQ-CVEARBPZSA-N 2 0 373.457 0.104 10 0 FCAERP [NH3+]C[C@H]1CC(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)=NO1 ZINC000852867923 1209569830 /nfs/dbraw/zinc/56/98/30/1209569830.db2.gz HJIZNUNESZJDQF-OAHLLOKOSA-N 2 0 359.430 0.554 10 0 FCAERP Cc1cccc(N2CC[NH+](CCCNC(=O)C3=NO[C@H](C[NH3+])C3)CC2)c1 ZINC000852873439 1209571752 /nfs/dbraw/zinc/57/17/52/1209571752.db2.gz VNUKHVXTEYNFJA-KRWDZBQOSA-N 2 0 359.474 0.727 10 0 FCAERP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000852903347 1209574092 /nfs/dbraw/zinc/57/40/92/1209574092.db2.gz ZTRIQJXBAKMCCU-OAHLLOKOSA-N 2 0 355.442 0.552 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCO1 ZINC000853624274 1209601969 /nfs/dbraw/zinc/60/19/69/1209601969.db2.gz IHNPUUPHULAUQS-PKOBYXMFSA-N 2 0 366.506 0.903 10 0 FCAERP CCN(C(=O)CC(O)CC(=O)N(CC)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000855361264 1209667049 /nfs/dbraw/zinc/66/70/49/1209667049.db2.gz UJLLFMNYOJQZTL-HZPDHXFCSA-N 2 0 368.522 0.233 10 0 FCAERP C[C@H]1C[C@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC[N@@H+]1C ZINC000861592201 1209872125 /nfs/dbraw/zinc/87/21/25/1209872125.db2.gz HRRMRRJDIMQBRE-XNISGKROSA-N 2 0 365.478 0.436 10 0 FCAERP C[C@H](NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[C@@H]1CCC[NH2+]C1 ZINC000861638556 1209873321 /nfs/dbraw/zinc/87/33/21/1209873321.db2.gz DGEXEKIOGJSRPI-XNISGKROSA-N 2 0 365.478 0.341 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)C[NH2+]1 ZINC000861803782 1209883811 /nfs/dbraw/zinc/88/38/11/1209883811.db2.gz DNFJJXVVQMDOIK-SJLPKXTDSA-N 2 0 360.502 0.876 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000863770430 1209951853 /nfs/dbraw/zinc/95/18/53/1209951853.db2.gz NDMMURYJXAWDDF-LJQANCHMSA-N 2 0 364.490 0.054 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCCCC(=O)C1=O ZINC000865088565 1209969913 /nfs/dbraw/zinc/96/99/13/1209969913.db2.gz HYAVEQDVMZJMGC-MRXNPFEDSA-N 2 0 366.506 0.443 10 0 FCAERP CC[NH+]1CCN(CCNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000865791626 1209984301 /nfs/dbraw/zinc/98/43/01/1209984301.db2.gz FXIOANRQZOHRBE-HNNXBMFYSA-N 2 0 371.526 0.195 10 0 FCAERP O=C(CC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCC1CCCCC1 ZINC000866714045 1210004654 /nfs/dbraw/zinc/00/46/54/1210004654.db2.gz DTOHKSWTAVXBHH-ZACQAIPSSA-N 2 0 364.490 0.940 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000867444512 1210007006 /nfs/dbraw/zinc/00/70/06/1210007006.db2.gz KNUGQCIIZKIPBW-UHFFFAOYSA-N 2 0 368.522 0.357 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CCC3)C2)C[C@H]1C[NH+](C)C ZINC000867603593 1210016983 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CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc2n1CCC2 ZINC000475582331 489837022 /nfs/dbraw/zinc/83/70/22/489837022.db2.gz MQGBWNGQPPVGQX-OAHLLOKOSA-N 2 0 369.535 0.866 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000420092338 489909091 /nfs/dbraw/zinc/90/90/91/489909091.db2.gz BTUSXFZRJYKYFF-UKRRQHHQSA-N 2 0 352.504 0.753 10 0 FCAERP CN(C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420178859 489942409 /nfs/dbraw/zinc/94/24/09/489942409.db2.gz BBLJCWAEHPHEAW-QZTJIDSGSA-N 2 0 374.485 0.214 10 0 FCAERP CN(C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420190855 489946582 /nfs/dbraw/zinc/94/65/82/489946582.db2.gz PQQDNPFCHDZKDZ-KZNAEPCWSA-N 2 0 358.486 0.963 10 0 FCAERP CN(C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420190856 489946926 /nfs/dbraw/zinc/94/69/26/489946926.db2.gz PQQDNPFCHDZKDZ-RCCFBDPRSA-N 2 0 358.486 0.963 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@](CO)(C(C)C)C2)C1 ZINC000377728195 489948167 /nfs/dbraw/zinc/94/81/67/489948167.db2.gz VTYRAQOUSQJWDN-PKOBYXMFSA-N 2 0 355.523 0.800 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000477683859 489985049 /nfs/dbraw/zinc/98/50/49/489985049.db2.gz SKRRYQPAMIWULX-GDBMZVCRSA-N 2 0 350.507 0.966 10 0 FCAERP CNC(=O)[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000420969089 490035187 /nfs/dbraw/zinc/03/51/87/490035187.db2.gz DNNIVRVMALJMFW-SFHVURJKSA-N 2 0 358.486 0.967 10 0 FCAERP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000556170210 491299522 /nfs/dbraw/zinc/29/95/22/491299522.db2.gz JTGXPQZQCFJBNR-OAHLLOKOSA-N 2 0 356.511 0.308 10 0 FCAERP CC(C)(CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000556169834 491299899 /nfs/dbraw/zinc/29/98/99/491299899.db2.gz FYQQEIMKQZHZMF-UHFFFAOYSA-N 2 0 368.522 0.453 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379674643 490127255 /nfs/dbraw/zinc/12/72/55/490127255.db2.gz UYQHDBITEJTUDL-ZWKOTPCHSA-N 2 0 367.515 0.949 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000564337027 491301658 /nfs/dbraw/zinc/30/16/58/491301658.db2.gz KDBQUQURZXLMNM-HOTGVXAUSA-N 2 0 356.511 0.896 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000422129887 490181446 /nfs/dbraw/zinc/18/14/46/490181446.db2.gz KJKUGKNWPZXYPI-MSOLQXFVSA-N 2 0 360.502 0.828 10 0 FCAERP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000497839169 490220947 /nfs/dbraw/zinc/22/09/47/490220947.db2.gz HFGKTDPEVZZORK-UHFFFAOYSA-N 2 0 356.430 0.898 10 0 FCAERP COc1c[nH+]ccc1N1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000481040967 490224239 /nfs/dbraw/zinc/22/42/39/490224239.db2.gz SQENNZCMUFBIBU-UHFFFAOYSA-N 2 0 352.402 0.975 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422293181 490237427 /nfs/dbraw/zinc/23/74/27/490237427.db2.gz KMIGIHWIVWLLDO-HOTGVXAUSA-N 2 0 354.495 0.062 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000507928627 490279958 /nfs/dbraw/zinc/27/99/58/490279958.db2.gz QHUZRMFGMNCUCB-MQVJKMGUSA-N 2 0 354.495 0.155 10 0 FCAERP CNC(=O)c1cccc(OCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000534064869 490315208 /nfs/dbraw/zinc/31/52/08/490315208.db2.gz HKTKAUSGXIXELQ-UHFFFAOYSA-N 2 0 350.463 0.377 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnnc1C ZINC000411403280 490449723 /nfs/dbraw/zinc/44/97/23/490449723.db2.gz WDXNLEHYFJYFKU-OAHLLOKOSA-N 2 0 362.478 0.598 10 0 FCAERP c1cnc(N2CC[NH+](CCCC[NH2+][C@H](C3CC3)[C@H]3CNCCO3)CC2)nc1 ZINC000422718492 490464803 /nfs/dbraw/zinc/46/48/03/490464803.db2.gz PUJKXQYLSZQGCN-RTBURBONSA-N 2 0 374.533 0.735 10 0 FCAERP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422965178 490506591 /nfs/dbraw/zinc/50/65/91/490506591.db2.gz KLSSWCCTSYQMLM-UHFFFAOYSA-N 2 0 370.497 0.906 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000422964791 490506714 /nfs/dbraw/zinc/50/67/14/490506714.db2.gz JNDYDEUTZUNMEQ-INIZCTEOSA-N 2 0 362.449 0.899 10 0 FCAERP CC[NH+]1CCN(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000535635541 490509044 /nfs/dbraw/zinc/50/90/44/490509044.db2.gz OPRWVOZPDTZLKF-VQTJNVASSA-N 2 0 374.529 0.623 10 0 FCAERP CN(CCC[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451135552 490518470 /nfs/dbraw/zinc/51/84/70/490518470.db2.gz BXVRBVWWTWINEW-YRXWBPOGSA-N 2 0 352.523 0.186 10 0 FCAERP CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCN(CC)CC2)CC12COC2 ZINC000451138888 490519921 /nfs/dbraw/zinc/51/99/21/490519921.db2.gz REHNCJOMMHMLTN-GJZGRUSLSA-N 2 0 353.463 0.051 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC1 ZINC000500466274 490520903 /nfs/dbraw/zinc/52/09/03/490520903.db2.gz SADQMDVLNVOBMO-UHFFFAOYSA-N 2 0 350.507 0.921 10 0 FCAERP CN(C(=O)C(=O)N1CCC(C[NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423069768 490535393 /nfs/dbraw/zinc/53/53/93/490535393.db2.gz MAQHLFRBTGJUNQ-SFHVURJKSA-N 2 0 358.486 0.917 10 0 FCAERP COCCOc1cc2c(cc1C[NH2+]CC1(O)CC[NH+](C)CC1)OCO2 ZINC000524884525 490567507 /nfs/dbraw/zinc/56/75/07/490567507.db2.gz KQOJELLUQQZRPW-UHFFFAOYSA-N 2 0 352.431 0.987 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511966008 490644463 /nfs/dbraw/zinc/64/44/63/490644463.db2.gz VVKQREKAFAFTQV-UHFFFAOYSA-N 2 0 354.495 0.156 10 0 FCAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000502582401 490711102 /nfs/dbraw/zinc/71/11/02/490711102.db2.gz TWYJEGMJHGVBIL-UHFFFAOYSA-N 2 0 355.483 0.049 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000572118054 491349504 /nfs/dbraw/zinc/34/95/04/491349504.db2.gz IYKMXCFJSXLKIL-HZPDHXFCSA-N 2 0 360.506 0.729 10 0 FCAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000514108327 490762683 /nfs/dbraw/zinc/76/26/83/490762683.db2.gz YBVMRMRFVRSEQG-QGZVFWFLSA-N 2 0 372.579 0.758 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000514850723 490793007 /nfs/dbraw/zinc/79/30/07/490793007.db2.gz DQZJQLGKVVCGFU-INIZCTEOSA-N 2 0 354.495 0.015 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)Cc1ccccc1 ZINC000515144795 490810097 /nfs/dbraw/zinc/81/00/97/490810097.db2.gz JDGCXWOCEOLTLG-NQIIRXRSSA-N 2 0 372.513 0.878 10 0 FCAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000565187150 491358553 /nfs/dbraw/zinc/35/85/53/491358553.db2.gz DJCZMHXLTCXQED-ZACQAIPSSA-N 2 0 352.523 0.927 10 0 FCAERP CCC[NH+]1CCC(NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000529311735 490849591 /nfs/dbraw/zinc/84/95/91/490849591.db2.gz HKMFLWJSUSHARP-UHFFFAOYSA-N 2 0 366.510 0.213 10 0 FCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529309333 490849782 /nfs/dbraw/zinc/84/97/82/490849782.db2.gz ZTJWJTPXEPLREP-INIZCTEOSA-N 2 0 366.510 0.213 10 0 FCAERP [NH3+]CC1(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCOCC1 ZINC000529318601 490850791 /nfs/dbraw/zinc/85/07/91/490850791.db2.gz TZUYNZRAHIMMJH-HOTGVXAUSA-N 2 0 354.495 0.561 10 0 FCAERP [NH3+]C[C@@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CCCCC1 ZINC000529329009 490853552 /nfs/dbraw/zinc/85/35/52/490853552.db2.gz AYSNXUJKAUPXES-MRXNPFEDSA-N 2 0 366.510 0.246 10 0 FCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000542785682 490909270 /nfs/dbraw/zinc/90/92/70/490909270.db2.gz KDWPDKSSISSXHA-UHFFFAOYSA-N 2 0 361.490 0.921 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CO)C2CCCCC2)C1 ZINC000542913570 490915380 /nfs/dbraw/zinc/91/53/80/490915380.db2.gz IGVXPTPPXLPKJU-QZTJIDSGSA-N 2 0 355.523 0.990 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000543967897 490953302 /nfs/dbraw/zinc/95/33/02/490953302.db2.gz ZKBRSNLWENCNNS-BMFZPTHFSA-N 2 0 374.489 0.693 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCn1ccnn1 ZINC000544335013 490965754 /nfs/dbraw/zinc/96/57/54/490965754.db2.gz BLDYUQGVDDXYMP-INIZCTEOSA-N 2 0 351.499 0.726 10 0 FCAERP CN1CCC(CNC(=O)N2CCOC3(C[NH2+]C3)C2)([NH+]2CCCCC2)CC1 ZINC000519359714 490969679 /nfs/dbraw/zinc/96/96/79/490969679.db2.gz CMVXACBHHNNJDI-UHFFFAOYSA-N 2 0 365.522 0.321 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)CC1 ZINC000569597292 491172376 /nfs/dbraw/zinc/17/23/76/491172376.db2.gz OXTJWYVDWMAARO-MSOLQXFVSA-N 2 0 355.523 0.142 10 0 FCAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000562746685 491186424 /nfs/dbraw/zinc/18/64/24/491186424.db2.gz CFSQYWNFRNELNK-INIZCTEOSA-N 2 0 360.506 0.935 10 0 FCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000557492464 491378547 /nfs/dbraw/zinc/37/85/47/491378547.db2.gz CJMHJHNGMFEJPD-JKSUJKDBSA-N 2 0 354.495 0.204 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000572649075 491384706 /nfs/dbraw/zinc/38/47/06/491384706.db2.gz ZUPLMSXVEBMRSB-IEBWSBKVSA-N 2 0 352.523 0.535 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000565962510 491409172 /nfs/dbraw/zinc/40/91/72/491409172.db2.gz RXBSJGSSPLGYBZ-NEWSRXKRSA-N 2 0 372.513 0.876 10 0 FCAERP C[N@H+](CC[C@@H]1CCNC1=O)[C@@H]1CCC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000573101399 491413058 /nfs/dbraw/zinc/41/30/58/491413058.db2.gz KNVMVQLGLKOCFU-YESZJQIVSA-N 2 0 350.507 0.825 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2CCN(CC(F)(F)F)CC2)CC1 ZINC000566132093 491419491 /nfs/dbraw/zinc/41/94/91/491419491.db2.gz SSXFLONUZITVKR-HNNXBMFYSA-N 2 0 352.445 0.459 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)CC1 ZINC000566131268 491419528 /nfs/dbraw/zinc/41/95/28/491419528.db2.gz YALKHPDNJHOQDT-IAGOWNOFSA-N 2 0 350.482 0.850 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000566507976 491450114 /nfs/dbraw/zinc/45/01/14/491450114.db2.gz OZSFARNSXQUDQI-UHFFFAOYSA-N 2 0 365.522 0.714 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000573906930 491461802 /nfs/dbraw/zinc/46/18/02/491461802.db2.gz OCFYOEKXFGHSGP-SFHVURJKSA-N 2 0 370.563 0.778 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000566792294 491467032 /nfs/dbraw/zinc/46/70/32/491467032.db2.gz QAOHUCWDVCTEMD-VQTJNVASSA-N 2 0 374.529 0.418 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000559929364 491510899 /nfs/dbraw/zinc/51/08/99/491510899.db2.gz XEDHMIGRTJEYQC-MQVJKMGUSA-N 2 0 354.495 0.202 10 0 FCAERP COC(=O)[C@@](C)(O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000574788502 491520115 /nfs/dbraw/zinc/52/01/15/491520115.db2.gz FLMBSSIEDRSVPM-IBGZPJMESA-N 2 0 369.506 0.615 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000567910383 491540730 /nfs/dbraw/zinc/54/07/30/491540730.db2.gz RXZNOADKGAEEDB-SFHVURJKSA-N 2 0 374.533 0.590 10 0 FCAERP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000567986782 491544987 /nfs/dbraw/zinc/54/49/87/491544987.db2.gz DAULYRARTWFBPB-ICSRJNTNSA-N 3 0 364.534 0.948 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000575319869 491548213 /nfs/dbraw/zinc/54/82/13/491548213.db2.gz FPDVYNVKJPLKSZ-GBESFXJTSA-N 3 0 366.550 0.781 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C[C@@H]1C ZINC000568093449 491552970 /nfs/dbraw/zinc/55/29/70/491552970.db2.gz SKZNDSHGYYXEPS-DOTOQJQBSA-N 2 0 368.522 0.545 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000575740940 491557886 /nfs/dbraw/zinc/55/78/86/491557886.db2.gz HUHDVDVSZLCYQB-PMACEKPBSA-N 2 0 374.529 0.418 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000560949205 491566592 /nfs/dbraw/zinc/56/65/92/491566592.db2.gz RCNONNZWLFPLAG-HNNXBMFYSA-N 2 0 360.458 0.498 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000561119841 491575554 /nfs/dbraw/zinc/57/55/54/491575554.db2.gz AAJXTESBPROOIM-INIZCTEOSA-N 2 0 354.495 0.158 10 0 FCAERP CN(C)[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000576030074 491576979 /nfs/dbraw/zinc/57/69/79/491576979.db2.gz MNLIPHHSKAPGRB-WMLDXEAASA-N 2 0 356.461 0.765 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cn2)CC1 ZINC000584399466 491586069 /nfs/dbraw/zinc/58/60/69/491586069.db2.gz IQYKYDLKAUSYCE-QGZVFWFLSA-N 2 0 358.490 0.869 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000577365011 491615025 /nfs/dbraw/zinc/61/50/25/491615025.db2.gz NOFORIYBPMJVRW-CABCVRRESA-N 2 0 353.898 0.512 10 0 FCAERP CC[NH+]1CCC(CNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000577394989 491618560 /nfs/dbraw/zinc/61/85/60/491618560.db2.gz FFDSVHCJDVAYHS-GOSISDBHSA-N 2 0 358.486 0.919 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000576495731 491620095 /nfs/dbraw/zinc/62/00/95/491620095.db2.gz VZHFKXHQVIOCFB-KRWDZBQOSA-N 2 0 366.506 0.204 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000576718631 491639193 /nfs/dbraw/zinc/63/91/93/491639193.db2.gz IGIFGQARGATKPE-IBGZPJMESA-N 2 0 368.522 0.357 10 0 FCAERP CC(=O)NCC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000561931873 491640954 /nfs/dbraw/zinc/64/09/54/491640954.db2.gz NHGAGCPDYQTJNC-INIZCTEOSA-N 2 0 350.507 0.968 10 0 FCAERP [NH3+]C[C@@H]1CN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC12CCOCC2 ZINC000576943298 491658343 /nfs/dbraw/zinc/65/83/43/491658343.db2.gz BJJXUTYTXTXLEI-IKGGRYGDSA-N 2 0 351.491 0.844 10 0 FCAERP CC1[C@H](C(=O)NC[C@H]2CCC[NH+](C)C2)[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000668463470 493359038 /nfs/dbraw/zinc/35/90/38/493359038.db2.gz QULRTXBLYYSVLT-BDXSIMOUSA-N 2 0 364.534 0.785 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+]1CCC(C)CC1 ZINC000578625515 491681043 /nfs/dbraw/zinc/68/10/43/491681043.db2.gz DJMNCMWQNHDHEZ-QFBILLFUSA-N 2 0 350.507 0.825 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000579197185 491692844 /nfs/dbraw/zinc/69/28/44/491692844.db2.gz XGJATIWYRJLFOI-AZUAARDMSA-N 2 0 361.486 0.586 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000579239640 491693903 /nfs/dbraw/zinc/69/39/03/491693903.db2.gz HDGGGQTUYUXHLX-GUDVDZBRSA-N 2 0 351.466 0.490 10 0 FCAERP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000579336517 491695654 /nfs/dbraw/zinc/69/56/54/491695654.db2.gz LYEPIQGDVBITDW-ZACQAIPSSA-N 2 0 366.506 0.297 10 0 FCAERP CCNC(=O)CN1CCCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000579475199 491698584 /nfs/dbraw/zinc/69/85/84/491698584.db2.gz UHMCWUSOOXHPSF-URLQWDBASA-N 2 0 366.506 0.189 10 0 FCAERP CNC(=O)C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000580273660 491723798 /nfs/dbraw/zinc/72/37/98/491723798.db2.gz XBBXAGMFWDWKIV-KRWDZBQOSA-N 2 0 363.506 0.999 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000580473321 491732861 /nfs/dbraw/zinc/73/28/61/491732861.db2.gz GQMHAOXZHPNSGT-RBUKOAKNSA-N 2 0 372.513 0.972 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000581081804 491758872 /nfs/dbraw/zinc/75/88/72/491758872.db2.gz DOMNAVIQAFOPNP-UHFFFAOYSA-N 2 0 362.478 0.205 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000582052982 491795855 /nfs/dbraw/zinc/79/58/55/491795855.db2.gz YQIFATQAEPHDGX-LUGNKYPNSA-N 2 0 352.479 0.347 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000582487146 491814592 /nfs/dbraw/zinc/81/45/92/491814592.db2.gz XOVVABAANUIVJP-YJBOKZPZSA-N 2 0 358.486 0.919 10 0 FCAERP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000668500386 493365751 /nfs/dbraw/zinc/36/57/51/493365751.db2.gz XYIGHJKQFYEZIU-IRXDYDNUSA-N 2 0 368.522 0.404 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000583090187 491837889 /nfs/dbraw/zinc/83/78/89/491837889.db2.gz FWIURPIDZFRIJT-RDJZCZTQSA-N 2 0 366.506 0.156 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)[C@H](C)C1 ZINC000583570958 491847773 /nfs/dbraw/zinc/84/77/73/491847773.db2.gz SAYQZJUVEJZUNW-WBVHZDCISA-N 2 0 368.522 0.402 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000583804944 491852427 /nfs/dbraw/zinc/85/24/27/491852427.db2.gz ISDZGCKMUWHYAR-PNBKFKSVSA-N 2 0 350.507 0.964 10 0 FCAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000584111799 491858866 /nfs/dbraw/zinc/85/88/66/491858866.db2.gz WLPFKKCZAPVADR-HOTGVXAUSA-N 2 0 364.494 0.776 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000584285697 491862226 /nfs/dbraw/zinc/86/22/26/491862226.db2.gz DMLMEJPXCNGFBN-SJORKVTESA-N 2 0 364.465 0.879 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000584340363 491863231 /nfs/dbraw/zinc/86/32/31/491863231.db2.gz RZRWMASQDHQLAB-CALCHBBNSA-N 2 0 372.517 0.974 10 0 FCAERP COC(=O)CCN1CC[C@@H]([NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1=O ZINC000600753914 491880591 /nfs/dbraw/zinc/88/05/91/491880591.db2.gz KSBBNAIERWYNFS-JKSUJKDBSA-N 2 0 353.463 0.241 10 0 FCAERP CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595986646 491968967 /nfs/dbraw/zinc/96/89/67/491968967.db2.gz QWEXKGVMUIKXMM-KGLIPLIRSA-N 2 0 366.535 0.606 10 0 FCAERP CSCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595986650 491969171 /nfs/dbraw/zinc/96/91/71/491969171.db2.gz QWEXKGVMUIKXMM-ZIAGYGMSSA-N 2 0 366.535 0.606 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2CCC2)CC1 ZINC000596071127 491974876 /nfs/dbraw/zinc/97/48/76/491974876.db2.gz WOKYLPRNTHGPOO-SJORKVTESA-N 2 0 355.523 0.942 10 0 FCAERP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000614506344 492034116 /nfs/dbraw/zinc/03/41/16/492034116.db2.gz GGEFPHKLPWWVNG-RTBURBONSA-N 2 0 357.502 0.800 10 0 FCAERP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCCC[NH+]3CCOCC3)CC2)C1 ZINC000604639551 492065223 /nfs/dbraw/zinc/06/52/23/492065223.db2.gz ZCHQVVJVZQKLPZ-SFHVURJKSA-N 2 0 367.538 0.520 10 0 FCAERP C[C@H]1[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)[C@H]1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000615182843 492077019 /nfs/dbraw/zinc/07/70/19/492077019.db2.gz LRSHFYPGXUGWRT-MVEAFLSBSA-N 2 0 360.502 0.194 10 0 FCAERP CC1[C@H](C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)[C@H]1C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615318188 492085659 /nfs/dbraw/zinc/08/56/59/492085659.db2.gz JCMQZERAAYKTQB-QQCJEOGWSA-N 2 0 364.534 0.971 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)CCSCCC(=O)N(C)CC1C[NH+](C)C1 ZINC000598163382 492086724 /nfs/dbraw/zinc/08/67/24/492086724.db2.gz OESDFMKOFXRANR-UHFFFAOYSA-N 2 0 370.563 0.540 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@](C)(CO)c2ccccc2)C1 ZINC000599173834 492139300 /nfs/dbraw/zinc/13/93/00/492139300.db2.gz ZELAHUXEUUFQQT-UYAOXDASSA-N 2 0 363.502 0.957 10 0 FCAERP CCN(C(=O)COCC(=O)N(CC)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](C)C1 ZINC000617556747 492175720 /nfs/dbraw/zinc/17/57/20/492175720.db2.gz WUWHGHYGBHYXJL-HOTGVXAUSA-N 2 0 354.495 0.108 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000617766319 492189729 /nfs/dbraw/zinc/18/97/29/492189729.db2.gz GIALQPKJELTJPA-FQEVSTJZSA-N 2 0 362.518 0.623 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627446687 492299234 /nfs/dbraw/zinc/29/92/34/492299234.db2.gz SBTULUQHHKHHNI-HNNXBMFYSA-N 2 0 364.490 0.101 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCOCC1 ZINC000627452202 492300440 /nfs/dbraw/zinc/30/04/40/492300440.db2.gz DLMBIJPXDRWJTL-OAHLLOKOSA-N 2 0 352.479 0.087 10 0 FCAERP CCC(CC)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[NH+]1CCCC1 ZINC000627453396 492301391 /nfs/dbraw/zinc/30/13/91/492301391.db2.gz MNVGRKSLAJQPNF-INIZCTEOSA-N 2 0 368.522 0.627 10 0 FCAERP CN(C(=O)C(=O)NCC1([NH3+])CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627454500 492302179 /nfs/dbraw/zinc/30/21/79/492302179.db2.gz QXSDTDFSOLPYJS-KRWDZBQOSA-N 2 0 374.485 0.343 10 0 FCAERP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627454314 492302254 /nfs/dbraw/zinc/30/22/54/492302254.db2.gz MQJNPVDFOJFTTA-UHFFFAOYSA-N 2 0 354.495 0.191 10 0 FCAERP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000647556119 492304372 /nfs/dbraw/zinc/30/43/72/492304372.db2.gz ROBVNSVPFKLEMC-INIZCTEOSA-N 2 0 366.506 0.252 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000627460363 492304752 /nfs/dbraw/zinc/30/47/52/492304752.db2.gz HWQPYHOTFSQYQF-LSDHHAIUSA-N 2 0 352.504 0.895 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@H](C)C1 ZINC000654446275 492305298 /nfs/dbraw/zinc/30/52/98/492305298.db2.gz FZXDPGQFDLOFDY-XDNAFOTISA-N 2 0 368.522 0.584 10 0 FCAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647561329 492308703 /nfs/dbraw/zinc/30/87/03/492308703.db2.gz KNHUBBXGTFADQB-JKSUJKDBSA-N 2 0 366.506 0.108 10 0 FCAERP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647563476 492310652 /nfs/dbraw/zinc/31/06/52/492310652.db2.gz FETGUPJRDLTUPU-UHFFFAOYSA-N 2 0 368.522 0.500 10 0 FCAERP CCCN(C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000647567141 492314278 /nfs/dbraw/zinc/31/42/78/492314278.db2.gz MEGMZUCVIABQRD-INIZCTEOSA-N 2 0 366.506 0.252 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]1 ZINC000627477370 492314691 /nfs/dbraw/zinc/31/46/91/492314691.db2.gz VCIVZFRNKFSVCN-GDAAHCPNSA-N 2 0 370.497 0.976 10 0 FCAERP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654522789 492314929 /nfs/dbraw/zinc/31/49/29/492314929.db2.gz DUVUIVWHMJGCLO-GBESFXJTSA-N 2 0 374.485 0.214 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627480121 492315757 /nfs/dbraw/zinc/31/57/57/492315757.db2.gz LEZQNRKGOFXBMN-NJAFHUGGSA-N 2 0 358.486 0.976 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/nfs/dbraw/zinc/47/17/45/492471745.db2.gz APAHBAQXCJGZEP-IAGOWNOFSA-N 2 0 356.470 0.903 10 0 FCAERP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000643504752 492483936 /nfs/dbraw/zinc/48/39/36/492483936.db2.gz MAAPWWVVQTUDSZ-HRCADAONSA-N 2 0 352.479 0.038 10 0 FCAERP CN(C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000643511073 492485332 /nfs/dbraw/zinc/48/53/32/492485332.db2.gz XWUIGEHAUQILIW-SOLBZPMBSA-N 2 0 362.518 0.920 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655913354 492487679 /nfs/dbraw/zinc/48/76/79/492487679.db2.gz HAUXPNBNIKBTGR-LBPRGKRZSA-N 2 0 360.384 0.522 10 0 FCAERP C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000655921630 492489872 /nfs/dbraw/zinc/48/98/72/492489872.db2.gz MPCGFBRDSLLWDK-UPJWGTAASA-N 2 0 351.417 0.543 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000649076092 492491834 /nfs/dbraw/zinc/49/18/34/492491834.db2.gz PWPHKEYSJKKZQF-OXJNMPFZSA-N 2 0 374.485 0.202 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000655970688 492500067 /nfs/dbraw/zinc/50/00/67/492500067.db2.gz KIIXISDZEGGGEJ-MWDXBVQZSA-N 2 0 365.522 0.616 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000649234658 492514150 /nfs/dbraw/zinc/51/41/50/492514150.db2.gz KDWKLCKMDXVHGZ-HOCLYGCPSA-N 2 0 368.547 0.782 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000656066735 492529459 /nfs/dbraw/zinc/52/94/59/492529459.db2.gz BXDWCUCGYJEMBQ-WOVMCDHWSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656068807 492530500 /nfs/dbraw/zinc/53/05/00/492530500.db2.gz GMOUWOYKVUMUPV-CAOSSQGBSA-N 2 0 354.495 0.153 10 0 FCAERP CC1(OCC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)C[NH2+]C1 ZINC000649315853 492531031 /nfs/dbraw/zinc/53/10/31/492531031.db2.gz UCHWGWCTLQOMJW-OAHLLOKOSA-N 2 0 360.458 0.701 10 0 FCAERP C[C@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656085030 492546724 /nfs/dbraw/zinc/54/67/24/492546724.db2.gz VHDPLPDBUYLOSK-OAGGEKHMSA-N 2 0 368.522 0.543 10 0 FCAERP O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656312379 492586779 /nfs/dbraw/zinc/58/67/79/492586779.db2.gz IMRSBLZCSOLGKI-DLBZAZTESA-N 2 0 366.506 0.036 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656332452 492597400 /nfs/dbraw/zinc/59/74/00/492597400.db2.gz WPOLDKWFGWJFTA-YESZJQIVSA-N 2 0 352.523 0.927 10 0 FCAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000629528597 492639107 /nfs/dbraw/zinc/63/91/07/492639107.db2.gz DLZRYPGRRGXQMJ-OAHLLOKOSA-N 2 0 371.503 0.594 10 0 FCAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000629536728 492641094 /nfs/dbraw/zinc/64/10/94/492641094.db2.gz GGZDAKUUYMYHST-HNNXBMFYSA-N 2 0 371.503 0.724 10 0 FCAERP CC(C)C[NH+]1CCC(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650608697 492654631 /nfs/dbraw/zinc/65/46/31/492654631.db2.gz MNDRXSIJGXSWCO-UHFFFAOYSA-N 2 0 353.511 0.522 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1=O ZINC000650669170 492659377 /nfs/dbraw/zinc/65/93/77/492659377.db2.gz NSCHQUGUGHTCIO-UHFFFAOYSA-N 2 0 361.490 0.664 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@@H]1C ZINC000629800065 492678322 /nfs/dbraw/zinc/67/83/22/492678322.db2.gz WZIBNBSPNLNEDF-STEAMIEHSA-N 2 0 350.507 0.776 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000629816287 492687350 /nfs/dbraw/zinc/68/73/50/492687350.db2.gz DWMQWNXVZDNXNE-INIZCTEOSA-N 2 0 366.506 0.287 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1=O ZINC000651063933 492702283 /nfs/dbraw/zinc/70/22/83/492702283.db2.gz ZTKKFIVRUIYOTF-UHFFFAOYSA-N 2 0 351.495 0.276 10 0 FCAERP CN(C(=O)NCC[C@]1(O)CCOC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000651284491 492735245 /nfs/dbraw/zinc/73/52/45/492735245.db2.gz HEHWNORFCBPQQA-WMZOPIPTSA-N 2 0 354.495 0.338 10 0 FCAERP CN(C(=O)NCC[C@@]1(O)CCOC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000651284489 492735325 /nfs/dbraw/zinc/73/53/25/492735325.db2.gz HEHWNORFCBPQQA-FUHWJXTLSA-N 2 0 354.495 0.338 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000644525771 492781769 /nfs/dbraw/zinc/78/17/69/492781769.db2.gz GUABBZWPBSEVTN-IBGZPJMESA-N 2 0 360.502 0.507 10 0 FCAERP C[C@H](C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)CN1CC[NH+](C)CC1 ZINC000644562731 492785612 /nfs/dbraw/zinc/78/56/12/492785612.db2.gz QOZQGINGHBIYEK-HZPDHXFCSA-N 2 0 365.474 0.628 10 0 FCAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000631064764 492796060 /nfs/dbraw/zinc/79/60/60/492796060.db2.gz SPVGNJOAIRPUAM-IAGOWNOFSA-N 2 0 350.511 0.678 10 0 FCAERP Cc1cn2c(n1)C[C@@H](C(=O)N1CCCN(CC(=O)N3CCCC3)CC1)CC2 ZINC000625544714 492816287 /nfs/dbraw/zinc/81/62/87/492816287.db2.gz YSHAPRCNOSQZDX-KRWDZBQOSA-N 2 0 373.501 0.911 10 0 FCAERP C[C@@H]1C(=O)N(C)CN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000645191270 492876430 /nfs/dbraw/zinc/87/64/30/492876430.db2.gz KUGGIQMEZATUNR-OAHLLOKOSA-N 2 0 360.462 0.423 10 0 FCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631914726 492880137 /nfs/dbraw/zinc/88/01/37/492880137.db2.gz WENOQXHXTVAOME-DJIMGWMZSA-N 2 0 353.488 0.730 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000631917529 492882501 /nfs/dbraw/zinc/88/25/01/492882501.db2.gz QMGSNGFEWVSFBD-LSDHHAIUSA-N 2 0 373.544 0.868 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652123964 492882943 /nfs/dbraw/zinc/88/29/43/492882943.db2.gz HMEBOPRCUCYHNN-IXDOHACOSA-N 2 0 355.527 0.264 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000631917528 492882976 /nfs/dbraw/zinc/88/29/76/492882976.db2.gz QMGSNGFEWVSFBD-HUUCEWRRSA-N 2 0 373.544 0.868 10 0 FCAERP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000631918767 492883967 /nfs/dbraw/zinc/88/39/67/492883967.db2.gz LUNFJEJJHXMTOT-QGZVFWFLSA-N 2 0 373.567 0.017 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C[C@H]1C[NH3+] ZINC000652170335 492890444 /nfs/dbraw/zinc/89/04/44/492890444.db2.gz AZCYUHHTSVBMMJ-BZZMCLGOSA-N 2 0 368.522 0.760 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000631950130 492895710 /nfs/dbraw/zinc/89/57/10/492895710.db2.gz AABARVOIEBUHLO-PMPSAXMXSA-N 2 0 357.451 0.179 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000645359928 492898721 /nfs/dbraw/zinc/89/87/21/492898721.db2.gz RSZQTTXMMFTVMP-QQFBHYJXSA-N 2 0 351.495 0.765 10 0 FCAERP CCN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@H+](CC)C1 ZINC000658467642 492906565 /nfs/dbraw/zinc/90/65/65/492906565.db2.gz GSBMFKNAYPFTES-AWEZNQCLSA-N 2 0 350.467 0.326 10 0 FCAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000652348977 492913461 /nfs/dbraw/zinc/91/34/61/492913461.db2.gz XVMGLLUQTJKSQH-FCEWJHQRSA-N 3 0 364.534 0.948 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H](C)[C@@H]2CC[NH3+])C1 ZINC000652354833 492914331 /nfs/dbraw/zinc/91/43/31/492914331.db2.gz JMYDVOHGWWUAJB-KSZLIROESA-N 2 0 354.539 0.909 10 0 FCAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)NCCCN2CCCC2=O)C1 ZINC000652360364 492915755 /nfs/dbraw/zinc/91/57/55/492915755.db2.gz GBUHKYMNKGZCGX-IXDOHACOSA-N 2 0 366.506 0.476 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000658504133 492917079 /nfs/dbraw/zinc/91/70/79/492917079.db2.gz KFEVSGROKBQPHV-UHFFFAOYSA-N 2 0 364.465 0.736 10 0 FCAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N(C)CC3C[NH+](C)C3)C2)CC1 ZINC000658517055 492923884 /nfs/dbraw/zinc/92/38/84/492923884.db2.gz IEFZGAVUQYVDBV-KRWDZBQOSA-N 2 0 364.534 0.977 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658523018 492926792 /nfs/dbraw/zinc/92/67/92/492926792.db2.gz SITKMGQIJGTKER-JKSUJKDBSA-N 2 0 368.522 0.545 10 0 FCAERP CNS(=O)(=O)C[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000626167518 492940712 /nfs/dbraw/zinc/94/07/12/492940712.db2.gz XKUQAIGQSQTMOF-KRWDZBQOSA-N 2 0 360.568 0.664 10 0 FCAERP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658558419 492954275 /nfs/dbraw/zinc/95/42/75/492954275.db2.gz GAQDRQWDXBWUEO-OAHLLOKOSA-N 2 0 368.522 0.545 10 0 FCAERP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658567781 492958020 /nfs/dbraw/zinc/95/80/20/492958020.db2.gz DNPULUXAQRSIDT-KRWDZBQOSA-N 2 0 368.522 0.500 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658612390 492979757 /nfs/dbraw/zinc/97/97/57/492979757.db2.gz HEWCKDNFMJAMGD-ZACQAIPSSA-N 2 0 368.522 0.354 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658612389 492979902 /nfs/dbraw/zinc/97/99/02/492979902.db2.gz HEWCKDNFMJAMGD-IXDOHACOSA-N 2 0 368.522 0.354 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652668788 492983304 /nfs/dbraw/zinc/98/33/04/492983304.db2.gz MQVBHAQJPQGEJC-TVFCKZIOSA-N 2 0 374.485 0.370 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000652670859 492983748 /nfs/dbraw/zinc/98/37/48/492983748.db2.gz IJHLUJBTDSRHJF-IAGOWNOFSA-N 2 0 368.522 0.581 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[C@H]1C[NH3+] ZINC000652676952 492986464 /nfs/dbraw/zinc/98/64/64/492986464.db2.gz LIKDOLOWGNOIFV-RBSFLKMASA-N 2 0 356.511 0.291 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000652682551 492988852 /nfs/dbraw/zinc/98/88/52/492988852.db2.gz NBDGJBXVNFYVTM-UHFFFAOYSA-N 2 0 358.486 0.796 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000658659517 492993824 /nfs/dbraw/zinc/99/38/24/492993824.db2.gz JAOWYKFOADKNAL-IAGOWNOFSA-N 2 0 368.522 0.356 10 0 FCAERP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)C2)CC1 ZINC000645977763 492994939 /nfs/dbraw/zinc/99/49/39/492994939.db2.gz LIRCUWODYQETTJ-GDBMZVCRSA-N 2 0 361.494 0.101 10 0 FCAERP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)CC2)C1 ZINC000646002845 492998975 /nfs/dbraw/zinc/99/89/75/492998975.db2.gz HFKGFMLUCCRTGR-PFRQMTDMSA-N 2 0 364.534 0.757 10 0 FCAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009388 493000537 /nfs/dbraw/zinc/00/05/37/493000537.db2.gz GFSFQSDLJPTQMS-OKZBNKHCSA-N 2 0 352.523 0.807 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000652719806 493002081 /nfs/dbraw/zinc/00/20/81/493002081.db2.gz NCUYWBPSZIQJOR-ROUUACIJSA-N 2 0 358.486 0.965 10 0 FCAERP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000652723147 493003247 /nfs/dbraw/zinc/00/32/47/493003247.db2.gz OSCKCNXIONYQMS-QGZVFWFLSA-N 2 0 350.507 0.969 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652729467 493007479 /nfs/dbraw/zinc/00/74/79/493007479.db2.gz HDZTWOPBKGGGKR-LVQVYYBASA-N 2 0 354.495 0.140 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652729466 493007626 /nfs/dbraw/zinc/00/76/26/493007626.db2.gz HDZTWOPBKGGGKR-KLHDSHLOSA-N 2 0 354.495 0.140 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000652731814 493010164 /nfs/dbraw/zinc/01/01/64/493010164.db2.gz VMGJHNLVNFTVIQ-INIZCTEOSA-N 2 0 354.495 0.202 10 0 FCAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626794517 493020492 /nfs/dbraw/zinc/02/04/92/493020492.db2.gz NUJCYJQXUVVVHP-ZDUSSCGKSA-N 2 0 358.442 0.708 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCOCC1 ZINC000626859325 493038933 /nfs/dbraw/zinc/03/89/33/493038933.db2.gz SGXZZPKDFDUNSQ-UHFFFAOYSA-N 2 0 374.485 0.888 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000626874843 493045133 /nfs/dbraw/zinc/04/51/33/493045133.db2.gz PRLGKHCABAXHJL-UHFFFAOYSA-N 2 0 360.458 0.797 10 0 FCAERP C[NH+](C)CCOc1cccc(CNC(=O)NCC2([NH3+])CCOCC2)c1 ZINC000626932246 493066349 /nfs/dbraw/zinc/06/63/49/493066349.db2.gz TVROGMYXDORMTC-UHFFFAOYSA-N 2 0 350.463 0.934 10 0 FCAERP CCN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000658820409 493068344 /nfs/dbraw/zinc/06/83/44/493068344.db2.gz DGOUVZHWZKUVAV-SJORKVTESA-N 2 0 368.522 0.498 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000626953561 493070028 /nfs/dbraw/zinc/07/00/28/493070028.db2.gz WBEGKOHEKOLSDH-BGYRXZFFSA-N 2 0 372.517 0.974 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000626969701 493072312 /nfs/dbraw/zinc/07/23/12/493072312.db2.gz CQKWYWXHSLCZTE-JKSUJKDBSA-N 2 0 361.494 0.428 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCOCC2)[C@H](C)C1 ZINC000626979439 493074233 /nfs/dbraw/zinc/07/42/33/493074233.db2.gz BOYROBBLDKSYGJ-CVEARBPZSA-N 2 0 356.511 0.931 10 0 FCAERP CN1CCC(CNC(=O)NCCOCCC[NH3+])([NH+]2CCCCC2)CC1 ZINC000626989422 493075957 /nfs/dbraw/zinc/07/59/57/493075957.db2.gz VNOWMPKLQWVXSS-UHFFFAOYSA-N 2 0 355.527 0.601 10 0 FCAERP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)c1 ZINC000653124901 493076236 /nfs/dbraw/zinc/07/62/36/493076236.db2.gz LQDUSVDBYJQKEB-RXVVDRJESA-N 2 0 372.513 0.859 10 0 FCAERP C[NH2+]CCOCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000627019729 493082156 /nfs/dbraw/zinc/08/21/56/493082156.db2.gz NASOAKLOYXGHTJ-GOSISDBHSA-N 2 0 364.490 0.813 10 0 FCAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627041328 493083761 /nfs/dbraw/zinc/08/37/61/493083761.db2.gz KTHISMCPCMLSTK-INIZCTEOSA-N 2 0 368.526 0.459 10 0 FCAERP COC[C@@]1(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000627092899 493087572 /nfs/dbraw/zinc/08/75/72/493087572.db2.gz ZDVOLFMEPVGROY-AEFFLSMTSA-N 2 0 354.495 0.555 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000627159620 493097953 /nfs/dbraw/zinc/09/79/53/493097953.db2.gz SOGUVUQWKMZMNQ-QXSJWSMHSA-N 2 0 351.495 0.417 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000627161491 493098941 /nfs/dbraw/zinc/09/89/41/493098941.db2.gz STYVWDNEIUUSTR-DLBZAZTESA-N 2 0 356.511 0.896 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000653372202 493105594 /nfs/dbraw/zinc/10/55/94/493105594.db2.gz BPXUMSNUSGCAJZ-KRWDZBQOSA-N 2 0 358.552 0.634 10 0 FCAERP O=C(Nc1ccc2nccn2c1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658902814 493106527 /nfs/dbraw/zinc/10/65/27/493106527.db2.gz GBWLSNYKOZJTSA-OAHLLOKOSA-N 2 0 357.414 0.330 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658905117 493108193 /nfs/dbraw/zinc/10/81/93/493108193.db2.gz XSOGPFBQSQVYIG-QGZVFWFLSA-N 2 0 368.522 0.138 10 0 FCAERP [NH3+]CCCOCCNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000627214571 493109053 /nfs/dbraw/zinc/10/90/53/493109053.db2.gz RUHPANYWRLHQIU-SFHVURJKSA-N 2 0 350.463 0.288 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCO1 ZINC000658926598 493111916 /nfs/dbraw/zinc/11/19/16/493111916.db2.gz DKWSIUGYBCLKAP-VQIMIIECSA-N 2 0 366.506 0.110 10 0 FCAERP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000633077948 493116994 /nfs/dbraw/zinc/11/69/94/493116994.db2.gz GCPVPVOLMMEYIH-FGTMMUONSA-N 2 0 356.470 0.682 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000633103388 493127018 /nfs/dbraw/zinc/12/70/18/493127018.db2.gz REIJUQYAMJFKSW-HOTGVXAUSA-N 2 0 366.506 0.428 10 0 FCAERP C[C@H](C(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)[C@H](C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000646917885 493127119 /nfs/dbraw/zinc/12/71/19/493127119.db2.gz JKSYSRWTCNUDMI-PVWHLQNVSA-N 2 0 362.518 0.584 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)C3(C(=O)N4CC[C@H]5C[N@@H+](C)C[C@H]54)CCC3)[C@@H]2C1 ZINC000646923750 493127458 /nfs/dbraw/zinc/12/74/58/493127458.db2.gz ZDXBARRALMGJJR-YYIAUSFCSA-N 2 0 360.502 0.482 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CCO1 ZINC000633109089 493130176 /nfs/dbraw/zinc/13/01/76/493130176.db2.gz LBVWQQRZMRMGIH-CVEARBPZSA-N 2 0 354.495 0.286 10 0 FCAERP Cc1ccc([C@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)[NH+](C)C)cc1 ZINC000627287120 493133948 /nfs/dbraw/zinc/13/39/48/493133948.db2.gz KUVWCFBEYQFOCJ-INIZCTEOSA-N 2 0 362.474 0.338 10 0 FCAERP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659076305 493140910 /nfs/dbraw/zinc/14/09/10/493140910.db2.gz LHJQJBHWGVLMDR-SJORKVTESA-N 2 0 360.458 0.839 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000627300770 493141480 /nfs/dbraw/zinc/14/14/80/493141480.db2.gz LBCWLHMPXHSIJX-UHFFFAOYSA-N 2 0 356.511 0.452 10 0 FCAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000659078829 493143466 /nfs/dbraw/zinc/14/34/66/493143466.db2.gz JUNIGZJSPQFCFA-QZTJIDSGSA-N 2 0 372.469 0.887 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[NH2+]1 ZINC000627306196 493144183 /nfs/dbraw/zinc/14/41/83/493144183.db2.gz RYGGHZKQKDDMPN-XLNGHYISSA-N 2 0 366.506 0.127 10 0 FCAERP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659081953 493144744 /nfs/dbraw/zinc/14/47/44/493144744.db2.gz YSGDLUHLWCAJCW-YOEHRIQHSA-N 2 0 360.458 0.744 10 0 FCAERP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000659099575 493152661 /nfs/dbraw/zinc/15/26/61/493152661.db2.gz HQNWEZMTNUXFHO-UHFFFAOYSA-N 2 0 360.458 0.905 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C[NH2+]1 ZINC000627332486 493157743 /nfs/dbraw/zinc/15/77/43/493157743.db2.gz AZDGETKTEUVBMM-QRQLOZEOSA-N 2 0 372.513 0.924 10 0 FCAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627334855 493158731 /nfs/dbraw/zinc/15/87/31/493158731.db2.gz CNUDSAUYIVAILM-IIDMSEBBSA-N 2 0 373.501 0.980 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627336986 493159792 /nfs/dbraw/zinc/15/97/92/493159792.db2.gz PWECGDTVLULRFN-QGZVFWFLSA-N 2 0 362.474 0.119 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000659114971 493161125 /nfs/dbraw/zinc/16/11/25/493161125.db2.gz SXOYUDUPRMVVQS-GOSISDBHSA-N 2 0 374.485 0.840 10 0 FCAERP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000627350680 493169175 /nfs/dbraw/zinc/16/91/75/493169175.db2.gz ZGUZTKWZCJYZPA-QGZVFWFLSA-N 2 0 371.485 0.563 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1F ZINC000659426961 493173977 /nfs/dbraw/zinc/17/39/77/493173977.db2.gz IJUQUBBFOYLING-QZTJIDSGSA-N 2 0 363.481 0.885 10 0 FCAERP 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ZINC000627382245 493191089 /nfs/dbraw/zinc/19/10/89/493191089.db2.gz RXXUAGURAYXZIF-UHFFFAOYSA-N 2 0 354.495 0.252 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000627393261 493200616 /nfs/dbraw/zinc/20/06/16/493200616.db2.gz SCURCMLZCZLTDY-LSDHHAIUSA-N 2 0 354.495 0.249 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000659619951 493222084 /nfs/dbraw/zinc/22/20/84/493222084.db2.gz WLMPMJVKUBIDJO-OAGGEKHMSA-N 2 0 353.511 0.650 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000672647843 493227494 /nfs/dbraw/zinc/22/74/94/493227494.db2.gz BANLFSSLDBMASI-ULQDDVLXSA-N 2 0 368.522 0.450 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000672647842 493228350 /nfs/dbraw/zinc/22/83/50/493228350.db2.gz BANLFSSLDBMASI-IKGGRYGDSA-N 2 0 368.522 0.450 10 0 FCAERP Cc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000659670165 493242466 /nfs/dbraw/zinc/24/24/66/493242466.db2.gz AIGFBSMQWBPAPE-BZUAXINKSA-N 2 0 350.438 0.612 10 0 FCAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659675296 493245847 /nfs/dbraw/zinc/24/58/47/493245847.db2.gz NIFWCYAYUXBADJ-XVTSOASTSA-N 2 0 350.507 0.953 10 0 FCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659682843 493250194 /nfs/dbraw/zinc/25/01/94/493250194.db2.gz OZCJLEIMDOBLGP-IVSQAGSJSA-N 2 0 356.470 0.888 10 0 FCAERP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000659690844 493255108 /nfs/dbraw/zinc/25/51/08/493255108.db2.gz YCSWXQRHBMHYOH-UHFFFAOYSA-N 2 0 360.458 0.111 10 0 FCAERP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)Cc1ccccc1 ZINC000659695414 493258137 /nfs/dbraw/zinc/25/81/37/493258137.db2.gz WOCXEKIZXKXCBU-IDYZSHNDSA-N 2 0 372.513 0.924 10 0 FCAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659698352 493259447 /nfs/dbraw/zinc/25/94/47/493259447.db2.gz JIGZUYGTKJCJEB-KLHDSHLOSA-N 2 0 356.486 0.758 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659701249 493261243 /nfs/dbraw/zinc/26/12/43/493261243.db2.gz ZPTWTYCRMKBKDS-IKNQFMJRSA-N 2 0 356.470 0.491 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659708265 493265982 /nfs/dbraw/zinc/26/59/82/493265982.db2.gz OKHSUBLSGUAYNY-JGCRXCKMSA-N 2 0 370.497 0.881 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)C1CC1 ZINC000659708284 493266177 /nfs/dbraw/zinc/26/61/77/493266177.db2.gz PCWGZPLXJDJCEP-NCYVPVAZSA-N 2 0 370.497 0.963 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659723107 493272744 /nfs/dbraw/zinc/27/27/44/493272744.db2.gz OWEQRQOZBCOCRU-WMLDXEAASA-N 2 0 366.506 0.108 10 0 FCAERP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659727710 493275193 /nfs/dbraw/zinc/27/51/93/493275193.db2.gz KPADOVDGMCQSLM-ZIAGYGMSSA-N 2 0 354.495 0.236 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCCC1 ZINC000659733696 493278175 /nfs/dbraw/zinc/27/81/75/493278175.db2.gz FQLPIHNMZCCKGG-UHFFFAOYSA-N 2 0 366.506 0.381 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCCCCC1 ZINC000659738671 493279950 /nfs/dbraw/zinc/27/99/50/493279950.db2.gz IECLQLKNVLNJES-INIZCTEOSA-N 2 0 366.506 0.524 10 0 FCAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000659740569 493281082 /nfs/dbraw/zinc/28/10/82/493281082.db2.gz IAJQXZZGLRUSCW-LPHOPBHVSA-N 2 0 350.507 0.825 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000659743340 493282638 /nfs/dbraw/zinc/28/26/38/493282638.db2.gz YRTCOKHVXCYTFW-DJIMGWMZSA-N 2 0 350.507 0.951 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000659743347 493282761 /nfs/dbraw/zinc/28/27/61/493282761.db2.gz YRTCOKHVXCYTFW-UAGQMJEPSA-N 2 0 350.507 0.951 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000673174253 493298183 /nfs/dbraw/zinc/29/81/83/493298183.db2.gz NEIHXAALZCENNC-NJAFHUGGSA-N 2 0 358.486 0.834 10 0 FCAERP CC1[C@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000668023029 493314988 /nfs/dbraw/zinc/31/49/88/493314988.db2.gz WIWKPBTUIRLJSN-BDXSIMOUSA-N 2 0 364.534 0.974 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000668510949 493367867 /nfs/dbraw/zinc/36/78/67/493367867.db2.gz AKWGXSVTISMKGA-OAHLLOKOSA-N 2 0 354.495 0.204 10 0 FCAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000668513144 493368715 /nfs/dbraw/zinc/36/87/15/493368715.db2.gz YMUJIPNQYDVIIZ-QGZVFWFLSA-N 2 0 368.522 0.452 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C2CC2)C2(CO)CCC2)C1 ZINC000660774690 493378663 /nfs/dbraw/zinc/37/86/63/493378663.db2.gz QVKCZQHMVBGZMJ-KRWDZBQOSA-N 2 0 353.507 0.839 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CCO1 ZINC000668682191 493395753 /nfs/dbraw/zinc/39/57/53/493395753.db2.gz AMMLHNXKPZBKCH-QGZVFWFLSA-N 2 0 368.522 0.404 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@]3(C)COC[C@]3(C)C2)C1 ZINC000661501309 493443595 /nfs/dbraw/zinc/44/35/95/493443595.db2.gz WGHWEWURAAIROK-QRQLOZEOSA-N 2 0 353.507 0.818 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1=O ZINC000661854389 493469195 /nfs/dbraw/zinc/46/91/95/493469195.db2.gz JQYVUFWBZJOWDM-MRXNPFEDSA-N 2 0 365.522 0.809 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000685533730 493502111 /nfs/dbraw/zinc/50/21/11/493502111.db2.gz NSBRGBYJFJESDC-SJORKVTESA-N 2 0 367.538 0.071 10 0 FCAERP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CCO1 ZINC000669502154 493508267 /nfs/dbraw/zinc/50/82/67/493508267.db2.gz IIJFIRAWCTUWJK-IAGOWNOFSA-N 2 0 367.538 0.694 10 0 FCAERP CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000669569647 493511370 /nfs/dbraw/zinc/51/13/70/493511370.db2.gz DPJGQIRBDQPQNO-CVEARBPZSA-N 2 0 363.437 0.211 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662487191 493520502 /nfs/dbraw/zinc/52/05/02/493520502.db2.gz HGTXOBDRLJOROA-UHFFFAOYSA-N 2 0 364.494 0.822 10 0 FCAERP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000676089393 493522368 /nfs/dbraw/zinc/52/23/68/493522368.db2.gz FKXPOSIUIOTGDS-LSDHHAIUSA-N 2 0 364.494 0.620 10 0 FCAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000676089695 493522852 /nfs/dbraw/zinc/52/28/52/493522852.db2.gz MQCJDWZCBXABEC-CJNGLKHVSA-N 2 0 354.414 0.949 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000676098912 493524897 /nfs/dbraw/zinc/52/48/97/493524897.db2.gz HGEHAEULGGVVIS-GOEBONIOSA-N 2 0 364.494 0.714 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662709753 493533670 /nfs/dbraw/zinc/53/36/70/493533670.db2.gz AVCRQTINANSANJ-MRXNPFEDSA-N 2 0 364.494 0.823 10 0 FCAERP [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000662730357 493535532 /nfs/dbraw/zinc/53/55/32/493535532.db2.gz DWAFHNLLYZFIDT-DLBZAZTESA-N 2 0 360.458 0.815 10 0 FCAERP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000662730359 493535613 /nfs/dbraw/zinc/53/56/13/493535613.db2.gz DWAFHNLLYZFIDT-IRXDYDNUSA-N 2 0 360.458 0.815 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000662867243 493548270 /nfs/dbraw/zinc/54/82/70/493548270.db2.gz VNVJEQLHTSGWBC-KSZLIROESA-N 2 0 374.485 0.515 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000662921327 493553474 /nfs/dbraw/zinc/55/34/74/493553474.db2.gz IGQPRHGXNAGESR-UHFFFAOYSA-N 2 0 356.470 0.671 10 0 FCAERP CN(C(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662930088 493555331 /nfs/dbraw/zinc/55/53/31/493555331.db2.gz MHQAAEXWMDBPEX-AEFFLSMTSA-N 2 0 362.518 0.920 10 0 FCAERP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662930024 493555455 /nfs/dbraw/zinc/55/54/55/493555455.db2.gz LUUISHIIWHDOKU-MWDXBVQZSA-N 2 0 368.497 0.997 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662938141 493556928 /nfs/dbraw/zinc/55/69/28/493556928.db2.gz LIEVRSBWCGDREB-OHTSDLOESA-N 2 0 356.470 0.669 10 0 FCAERP C[NH2+]CC1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000662950789 493560208 /nfs/dbraw/zinc/56/02/08/493560208.db2.gz CJPPBKMBHRKKOZ-MRXNPFEDSA-N 2 0 354.495 0.014 10 0 FCAERP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C[C@H](C)O1 ZINC000663550661 493596593 /nfs/dbraw/zinc/59/65/93/493596593.db2.gz CYYNOULJOPMYIH-JZXOWHBKSA-N 2 0 368.522 0.726 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(CCOC3)CC2)C1 ZINC000677718751 493614001 /nfs/dbraw/zinc/61/40/01/493614001.db2.gz IBCOTOVLXMLQKQ-KRWDZBQOSA-N 2 0 353.507 0.962 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000671032110 493625045 /nfs/dbraw/zinc/62/50/45/493625045.db2.gz UJESQCXFAOUOAW-KRWDZBQOSA-N 2 0 366.506 0.302 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671106053 493635936 /nfs/dbraw/zinc/63/59/36/493635936.db2.gz XPZGAFFARULFQO-IRXDYDNUSA-N 2 0 350.507 0.968 10 0 FCAERP CCN(C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000664176775 493642138 /nfs/dbraw/zinc/64/21/38/493642138.db2.gz WZRKRCLKQXTWNA-JKSUJKDBSA-N 2 0 353.511 0.700 10 0 FCAERP CC[NH+](CC)CCOCCNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664648694 493674726 /nfs/dbraw/zinc/67/47/26/493674726.db2.gz TXVZVVHZMUQLAE-QGZVFWFLSA-N 2 0 356.511 0.585 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1)[N@H+](C)C1CC1 ZINC000672207836 493743460 /nfs/dbraw/zinc/74/34/60/493743460.db2.gz ATHORKLZGYMESP-OAHLLOKOSA-N 2 0 350.507 0.920 10 0 FCAERP COC(=O)CC1([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000440984509 536441518 /nfs/dbraw/zinc/44/15/18/536441518.db2.gz VUGMZPBSNQRUCS-UHFFFAOYSA-N 2 0 353.463 0.431 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1 ZINC000262086113 527954317 /nfs/dbraw/zinc/95/43/17/527954317.db2.gz CSJQECCKFMNVDY-MSOLQXFVSA-N 2 0 363.506 0.729 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000418943706 535351154 /nfs/dbraw/zinc/35/11/54/535351154.db2.gz ZBFWYCJOUZRTNS-UHFFFAOYSA-N 2 0 350.507 0.827 10 0 FCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418290471 536355455 /nfs/dbraw/zinc/35/54/55/536355455.db2.gz RQIIKOOKEKTRBR-GOSISDBHSA-N 2 0 366.554 0.093 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000419752992 536746601 /nfs/dbraw/zinc/74/66/01/536746601.db2.gz NAMOYLHAHUUSEA-ZFWWWQNUSA-N 2 0 354.495 0.106 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C(N)=O)CC[C@@H]2C)C1 ZINC000363475464 546528786 /nfs/dbraw/zinc/52/87/86/546528786.db2.gz AQCKIQUXPOUFTP-ARFHVFGLSA-N 2 0 354.495 0.045 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000127032222 546557103 /nfs/dbraw/zinc/55/71/03/546557103.db2.gz ZEXOLLXMKRBUAD-OAHLLOKOSA-N 2 0 350.467 0.374 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000590853753 546593518 /nfs/dbraw/zinc/59/35/18/546593518.db2.gz KYRMZQSEPKYBGK-IAGOWNOFSA-N 2 0 354.495 0.339 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000592339534 546633633 /nfs/dbraw/zinc/63/36/33/546633633.db2.gz LOBNBVCYADRFLT-NUEKZKHPSA-N 2 0 351.422 0.916 10 0 FCAERP CCOC(=O)C1CCC(O)(CN2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000593051643 546686616 /nfs/dbraw/zinc/68/66/16/546686616.db2.gz MGCJHMKSPAGKMU-UHFFFAOYSA-N 2 0 355.479 0.177 10 0 FCAERP CC[C@H](CO)[NH+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000371306328 546894636 /nfs/dbraw/zinc/89/46/36/546894636.db2.gz UIKHOHPFAMGYDV-QGZVFWFLSA-N 2 0 353.507 0.937 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000550779960 547103622 /nfs/dbraw/zinc/10/36/22/547103622.db2.gz CLIOGONZBURQKT-MRXNPFEDSA-N 2 0 354.495 0.158 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)[C@H](C)C1 ZINC000550903693 547113116 /nfs/dbraw/zinc/11/31/16/547113116.db2.gz FPLWXOFWDLDWBJ-INMHGKMJSA-N 2 0 350.507 0.776 10 0 FCAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550904306 547115145 /nfs/dbraw/zinc/11/51/45/547115145.db2.gz VIBIJFUZLLNQEC-OAGGEKHMSA-N 2 0 350.507 0.966 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000551472611 547146947 /nfs/dbraw/zinc/14/69/47/547146947.db2.gz WKPTWBYVPJENKX-CVEARBPZSA-N 2 0 354.495 0.062 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)[C@H](C)C1 ZINC000553735701 547304295 /nfs/dbraw/zinc/30/42/95/547304295.db2.gz ZQLLAQKSPDZNDO-OAGGEKHMSA-N 2 0 354.495 0.012 10 0 FCAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000659256608 547354911 /nfs/dbraw/zinc/35/49/11/547354911.db2.gz PBTOLKDBOKJMJE-INIZCTEOSA-N 2 0 350.463 0.347 10 0 FCAERP CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCCOC1 ZINC000898458879 665877019 /nfs/dbraw/zinc/87/70/19/665877019.db2.gz FZGNMUMCOVLRGG-JKSUJKDBSA-N 2 0 356.511 0.260 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1 ZINC000896682031 665102517 /nfs/dbraw/zinc/10/25/17/665102517.db2.gz PPNIRYAGJXPZAD-HOTGVXAUSA-N 2 0 357.495 0.639 10 0 FCAERP CN1CC[NH+](CC2(C)CCN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)CC2)CC1 ZINC000907356092 666125236 /nfs/dbraw/zinc/12/52/36/666125236.db2.gz VWWBIJVUGAYHRF-QFBILLFUSA-N 2 0 352.523 0.318 10 0 FCAERP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C3CN(C)CC[N@H+](C)C3)CC2)CC1 ZINC000907379354 666129851 /nfs/dbraw/zinc/12/98/51/666129851.db2.gz RLTSFVBYWDFWIW-HDICACEKSA-N 2 0 351.539 0.155 10 0 FCAERP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000908539566 666211179 /nfs/dbraw/zinc/21/11/79/666211179.db2.gz AYKYVXLIZCXFCR-SFHVURJKSA-N 2 0 354.539 0.756 10 0 FCAERP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000913426938 666525987 /nfs/dbraw/zinc/52/59/87/666525987.db2.gz ADZYILCOLUDYIO-CGZBRXJRSA-N 2 0 353.507 0.839 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000941112803 666584282 /nfs/dbraw/zinc/58/42/82/666584282.db2.gz QQGBBTBVQATKFV-DLBZAZTESA-N 2 0 350.507 0.873 10 0 FCAERP CCO[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C[NH+](C)C ZINC000921532788 667103809 /nfs/dbraw/zinc/10/38/09/667103809.db2.gz SBBXIMYYLDBQKN-IXDOHACOSA-N 2 0 356.511 0.630 10 0 FCAERP C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000921668726 667216005 /nfs/dbraw/zinc/21/60/05/667216005.db2.gz WLWGIVZCCAAQJD-DLBZAZTESA-N 2 0 369.579 0.891 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923599440 667226192 /nfs/dbraw/zinc/22/61/92/667226192.db2.gz VIDNEKWDNTZJKQ-OAHLLOKOSA-N 2 0 353.492 0.005 10 0 FCAERP COC(=O)CCN1CCC[C@@H]([NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)C1=O ZINC000923449594 667837029 /nfs/dbraw/zinc/83/70/29/667837029.db2.gz ANTAAEIWFQIGGD-LSDHHAIUSA-N 2 0 353.463 0.370 10 0 FCAERP C[C@@H]1C[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC[C@H]1C[NH3+] ZINC000923501877 667842090 /nfs/dbraw/zinc/84/20/90/667842090.db2.gz WIFNPUAPWVVDDS-WBVHZDCISA-N 2 0 350.507 0.764 10 0 FCAERP C[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC[C@H]1C[NH3+] ZINC000923501630 667842145 /nfs/dbraw/zinc/84/21/45/667842145.db2.gz UTWHUUAJTUFMLY-NEPJUHHUSA-N 2 0 354.401 0.936 10 0 FCAERP CN(C[C@@H](O)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000819288304 668994697 /nfs/dbraw/zinc/99/46/97/668994697.db2.gz XJKPWKQXLPCJHE-HNNXBMFYSA-N 2 0 358.527 0.830 10 0 FCAERP COC(=O)[C@H]1CN(CC[NH+]2CCCC2)[C@@H](C)CN1CC[NH+]1CCCC1 ZINC000831883740 669872270 /nfs/dbraw/zinc/87/22/70/669872270.db2.gz CVUCPUZWRRUBFM-ZWKOTPCHSA-N 2 0 352.523 0.726 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000840824394 670520482 /nfs/dbraw/zinc/52/04/82/670520482.db2.gz XJYIIRCLBDMRRA-CVEARBPZSA-N 2 0 367.563 0.632 10 0 FCAERP CN(Cc1ccco1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867290832 670663298 /nfs/dbraw/zinc/66/32/98/670663298.db2.gz BLIOYSBQKMMVLP-HUUCEWRRSA-N 2 0 350.463 0.436 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000843112352 670776078 /nfs/dbraw/zinc/77/60/78/670776078.db2.gz HMEXDKGRIYOUHA-HOTGVXAUSA-N 2 0 372.307 0.680 10 0 FCAERP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000867392702 671032928 /nfs/dbraw/zinc/03/29/28/671032928.db2.gz ROGPUORVOGIJRN-SJORKVTESA-N 2 0 350.507 0.729 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000846212751 671090830 /nfs/dbraw/zinc/09/08/30/671090830.db2.gz FPWSQQDJPWYKQV-QLFBSQMISA-N 2 0 354.495 0.994 10 0 FCAERP CC[NH+](CC)CCN(C(=O)C=C1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000852882389 671528967 /nfs/dbraw/zinc/52/89/67/671528967.db2.gz FVJNXMPHLUHSBS-INIZCTEOSA-N 2 0 357.520 0.654 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N(C)Cc1cccs1)C2 ZINC000903493397 675933308 /nfs/dbraw/zinc/93/33/08/675933308.db2.gz WURRELQGNRKDFR-AHIWAGSCSA-N 2 0 351.472 0.919 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cn(C)nc1Br)C2 ZINC000903495286 675933643 /nfs/dbraw/zinc/93/36/43/675933643.db2.gz YVGYWTYDSGZNMX-WDMOLILDSA-N 2 0 357.252 0.895 10 0 FCAERP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861565401 671972644 /nfs/dbraw/zinc/97/26/44/671972644.db2.gz JJYIILAQWKPJAP-KFWWJZLASA-N 2 0 351.451 0.047 10 0 FCAERP O=C(N[C@@H]1CCC[NH2+]CC1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861642720 671977187 /nfs/dbraw/zinc/97/71/87/671977187.db2.gz GNZJCJYRSYKDLJ-YUELXQCFSA-N 2 0 351.451 0.095 10 0 FCAERP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903719569 675963464 /nfs/dbraw/zinc/96/34/64/675963464.db2.gz OPDZFAGRMOINJR-NEPJUHHUSA-N 2 0 350.385 0.279 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903719479 675963497 /nfs/dbraw/zinc/96/34/97/675963497.db2.gz MBGARLBSYNSUAD-AGIUHOORSA-N 2 0 364.412 0.667 10 0 FCAERP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903757236 675968676 /nfs/dbraw/zinc/96/86/76/675968676.db2.gz WKMWBHMPLRZLLJ-OLZOCXBDSA-N 2 0 366.428 0.915 10 0 FCAERP C[NH+](C)CCC1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903728816 675964560 /nfs/dbraw/zinc/96/45/60/675964560.db2.gz UAEJTJONDHIOJJ-CHWSQXEVSA-N 2 0 364.412 0.525 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[C@H]1CC[NH3+] ZINC000903758679 675969118 /nfs/dbraw/zinc/96/91/18/675969118.db2.gz JEQFRKMODFLBJT-OIISXLGYSA-N 2 0 350.507 0.620 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903754905 675968006 /nfs/dbraw/zinc/96/80/06/675968006.db2.gz UVFHRTZTOAYTPN-AVGNSLFASA-N 2 0 364.412 0.525 10 0 FCAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000863546833 672135665 /nfs/dbraw/zinc/13/56/65/672135665.db2.gz HNDDSSZJUVDQIA-VVLHAWIVSA-N 2 0 350.463 0.107 10 0 FCAERP CC(C)N1CCC[C@H]([NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1=O ZINC000863549931 672136524 /nfs/dbraw/zinc/13/65/24/672136524.db2.gz UNLBIRVLEPUJNX-XHSDSOJGSA-N 2 0 350.463 0.643 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]23COC(=O)N2CCOC3)[C@@H](C)C1 ZINC000866524446 672280176 /nfs/dbraw/zinc/28/01/76/672280176.db2.gz KKZROKWLKZFCMA-BQFCYCMXSA-N 2 0 355.479 0.934 10 0 FCAERP CC[C@H]1C[C@H](C)CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867493932 672325505 /nfs/dbraw/zinc/32/55/05/672325505.db2.gz SPNOQDLCTJOBLY-HZMVEIRTSA-N 2 0 352.523 0.831 10 0 FCAERP CC[C@@H]1C[C@@H](C)CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867493933 672325724 /nfs/dbraw/zinc/32/57/24/672325724.db2.gz SPNOQDLCTJOBLY-QBPKDAKJSA-N 2 0 352.523 0.831 10 0 FCAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000867542018 672334435 /nfs/dbraw/zinc/33/44/35/672334435.db2.gz ZLWVTWZMUZCGDJ-ULQDDVLXSA-N 2 0 350.507 0.729 10 0 FCAERP Cc1cnc(N)c(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000867589839 672343321 /nfs/dbraw/zinc/34/33/21/672343321.db2.gz LPOAVXAIJJBSNZ-ZIAGYGMSSA-N 2 0 355.508 0.332 10 0 FCAERP COC(=O)c1coc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000867590750 672343611 /nfs/dbraw/zinc/34/36/11/672343611.db2.gz UFANZZNNZKZNIG-ZIAGYGMSSA-N 2 0 373.475 0.426 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCSC2)C[C@H]1C[NH+](C)C ZINC000867678187 672354513 /nfs/dbraw/zinc/35/45/13/672354513.db2.gz RPUYAXZMLCAHSJ-BZUAXINKSA-N 2 0 370.563 0.444 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)C[C@@H]1C[NH3+] ZINC000868391080 672398135 /nfs/dbraw/zinc/39/81/35/672398135.db2.gz SDKQEOOGCKKUJS-CVEARBPZSA-N 2 0 350.507 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XAZMKMXCPCRENZ-BRWVUGGUSA-N 2 0 368.522 0.402 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001490327132 1209318525 /nfs/dbraw/zinc/31/85/25/1209318525.db2.gz FJNAKNBEZRZJOE-NVXWUHKLSA-N 2 0 352.523 0.881 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C2CC2)CC[N@@H+]1C ZINC001490664445 1209408391 /nfs/dbraw/zinc/40/83/91/1209408391.db2.gz JZXOZGSAWSVYRO-ARFHVFGLSA-N 2 0 364.490 0.350 10 0 FCAERP CCN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000850582299 1209459558 /nfs/dbraw/zinc/45/95/58/1209459558.db2.gz DCFCVFFYUXRITN-INIZCTEOSA-N 2 0 373.501 0.930 10 0 FCAERP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000852754614 1209562635 /nfs/dbraw/zinc/56/26/35/1209562635.db2.gz YBSCLGANRNATFY-KRWDZBQOSA-N 2 0 366.506 0.999 10 0 FCAERP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C3=NO[C@H](C[NH3+])C3)c2)C1 ZINC000852866172 1209569456 /nfs/dbraw/zinc/56/94/56/1209569456.db2.gz UJWPPIYTSXFGMQ-HOTGVXAUSA-N 2 0 373.457 0.104 10 0 FCAERP CN(C[C@H]1CCC[N@@H+]1C)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852921427 1209578438 /nfs/dbraw/zinc/57/84/38/1209578438.db2.gz MOYZUCZRFRONRL-DLBZAZTESA-N 2 0 361.538 0.940 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)CC1 ZINC000853126229 1209584397 /nfs/dbraw/zinc/58/43/97/1209584397.db2.gz IYYDERQZUQUEJU-GOSISDBHSA-N 2 0 361.490 0.304 10 0 FCAERP CCN(C(=O)CC(O)CC(=O)N(CC)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](C)C1 ZINC000855361263 1209667144 /nfs/dbraw/zinc/66/71/44/1209667144.db2.gz UJLLFMNYOJQZTL-HOTGVXAUSA-N 2 0 368.522 0.233 10 0 FCAERP CC[NH+](CC)CCCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861549123 1209870897 /nfs/dbraw/zinc/87/08/97/1209870897.db2.gz VGSJAGMBIIRATB-CVEARBPZSA-N 2 0 367.494 0.685 10 0 FCAERP CC[N@H+](CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C(C)C ZINC000861569748 1209871889 /nfs/dbraw/zinc/87/18/89/1209871889.db2.gz DBFOUWLGHKFKNN-CVEARBPZSA-N 2 0 367.494 0.683 10 0 FCAERP [NH3+]CCc1ccc(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000861638948 1209873099 /nfs/dbraw/zinc/87/30/99/1209873099.db2.gz HWJMHULSIQYRPI-UHFFFAOYSA-N 2 0 374.489 0.040 10 0 FCAERP [NH3+][C@@H](CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccccc1 ZINC000861642063 1209873278 /nfs/dbraw/zinc/87/32/78/1209873278.db2.gz ZLUFJOUJXTXGPD-BBWFWOEESA-N 2 0 373.457 0.653 10 0 FCAERP Cc1cc(NC(=O)CC[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)no1 ZINC000863549152 1209944528 /nfs/dbraw/zinc/94/45/28/1209944528.db2.gz ASMUNXPSTDQARY-KGLIPLIRSA-N 2 0 363.418 0.569 10 0 FCAERP CN(C(=O)C(F)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1C[NH+]2CCC1CC2 ZINC000865713945 1209983345 /nfs/dbraw/zinc/98/33/45/1209983345.db2.gz XSEFVHCDXMYNMW-HZPDHXFCSA-N 2 0 366.481 0.430 10 0 FCAERP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866709234 1210002612 /nfs/dbraw/zinc/00/26/12/1210002612.db2.gz JJJONLXNABKLJP-UAGQMJEPSA-N 2 0 374.441 0.891 10 0 FCAERP COc1ccc([C@H](C[NH3+])CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866712106 1210003653 /nfs/dbraw/zinc/00/36/53/1210003653.db2.gz RBVXZTYIRCZJJW-AHCXZYCDSA-N 2 0 360.458 0.604 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000866784147 1210006108 /nfs/dbraw/zinc/00/61/08/1210006108.db2.gz NENURPUWWWSVPG-CABCVRRESA-N 2 0 372.510 0.404 10 0 FCAERP COC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867464975 1210007647 /nfs/dbraw/zinc/00/76/47/1210007647.db2.gz FWPRUQNPOLDXRO-BRWVUGGUSA-N 2 0 368.522 0.069 10 0 FCAERP CC1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867638304 1210020062 /nfs/dbraw/zinc/02/00/62/1210020062.db2.gz PLLQPTWYHWLKAY-AEUSTVAISA-N 2 0 364.534 0.974 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)C[C@H]1C[NH+](C)C ZINC000867678513 1210021388 /nfs/dbraw/zinc/02/13/88/1210021388.db2.gz VMRWFJLNYGHPJC-QRXRQMIZSA-N 2 0 364.534 0.737 10 0 FCAERP 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C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)CC[C@H]21 ZINC000868309803 1210050936 /nfs/dbraw/zinc/05/09/36/1210050936.db2.gz MLUFOVAGYRRXKA-CZUORRHYSA-N 2 0 358.442 0.660 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC([C@@H]4[NH2+]CC4(C)C)CC3)CC[C@@H]21 ZINC000868409794 1210062839 /nfs/dbraw/zinc/06/28/39/1210062839.db2.gz HGZOZNBDBRPAOL-IKGGRYGDSA-N 2 0 362.518 0.776 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000868416569 1210064060 /nfs/dbraw/zinc/06/40/60/1210064060.db2.gz AGERDABSNUMEGN-HUUCEWRRSA-N 2 0 373.457 0.092 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cn3cccn3)on2)C[C@H]1C[NH+](C)C ZINC000870017413 1210099422 /nfs/dbraw/zinc/09/94/22/1210099422.db2.gz NDMAFVGGYJURNC-HUUCEWRRSA-N 2 0 360.462 0.731 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)C[C@H]1C[NH+](C)C ZINC000870019252 1210099520 /nfs/dbraw/zinc/09/95/20/1210099520.db2.gz AZBDEGGNDXQESO-NUJGCVRESA-N 2 0 359.474 0.772 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cncc(N3CCCC3)n2)C[C@H]1C[NH+](C)C ZINC000870016193 1210099774 /nfs/dbraw/zinc/09/97/74/1210099774.db2.gz FWBYVJAOAWKPLI-HZPDHXFCSA-N 2 0 360.506 0.888 10 0 FCAERP C[C@]12C[NH2+]C[C@H]1CN(CC(=O)NCC1([NH+]3CCOCC3)CCCCC1)C2 ZINC000872153270 1210173885 /nfs/dbraw/zinc/17/38/85/1210173885.db2.gz GHPLMESVSLULQO-PKOBYXMFSA-N 2 0 364.534 0.679 10 0 FCAERP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)C2 ZINC000872192326 1210176553 /nfs/dbraw/zinc/17/65/53/1210176553.db2.gz GONSVSOZTMKBKK-TXDAXLQXSA-N 2 0 360.502 0.530 10 0 FCAERP C[C@@]12CN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000872192120 1210177249 /nfs/dbraw/zinc/17/72/49/1210177249.db2.gz DZAFTGWFPIKZHC-SQGPQFPESA-N 2 0 356.470 0.527 10 0 FCAERP CN(CCC[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000872195610 1210177677 /nfs/dbraw/zinc/17/76/77/1210177677.db2.gz QGUXSYJPJPLZIU-FXAWDEMLSA-N 2 0 358.486 0.774 10 0 FCAERP C[C@@]12CN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000872193845 1210178018 /nfs/dbraw/zinc/17/80/18/1210178018.db2.gz CIHLSHZSCYSLIQ-BBTUJRGHSA-N 2 0 370.497 0.917 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2C[C@H](C(=O)OCc3ccccc3)C2)CC1 ZINC000872237052 1210181283 /nfs/dbraw/zinc/18/12/83/1210181283.db2.gz AENQWNYRKTYQSZ-FHWLQOOXSA-N 2 0 361.486 0.706 10 0 FCAERP COc1cccc([C@@H]([NH3+])C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872302873 1210188414 /nfs/dbraw/zinc/18/84/14/1210188414.db2.gz PGWZTPYNAHSHFD-DRPJVOAASA-N 2 0 360.414 0.089 10 0 FCAERP O=C([C@H]1[NH2+]CCc2ccccc21)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872307854 1210190586 /nfs/dbraw/zinc/19/05/86/1210190586.db2.gz LWOUGESAMPYEKP-SIXLDLHFSA-N 2 0 356.426 0.267 10 0 FCAERP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872308265 1210190694 /nfs/dbraw/zinc/19/06/94/1210190694.db2.gz UVDHEEHZNYJPBV-TWMKSMIVSA-N 2 0 356.426 0.094 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC2(CO)CC[NH+](CCn3cccn3)CC2)CC[N@@H+]1C ZINC001274910429 1211142885 /nfs/dbraw/zinc/14/28/85/1211142885.db2.gz KLTABVWOTNKKHP-DLBZAZTESA-N 2 0 363.506 0.557 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001275003934 1211164762 /nfs/dbraw/zinc/16/47/62/1211164762.db2.gz GDUKBMYWWMOWQG-YESZJQIVSA-N 2 0 365.522 0.713 10 0 FCAERP CC[NH+]1CCN(c2ccc(CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)cn2)CC1 ZINC000924468148 1211470760 /nfs/dbraw/zinc/47/07/60/1211470760.db2.gz UHAZMRUMTBQPIW-HNNXBMFYSA-N 2 0 360.462 0.206 10 0 FCAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(-n2cnnn2)cc1 ZINC000925850502 1211508902 /nfs/dbraw/zinc/50/89/02/1211508902.db2.gz BLOXCUCISAIAHP-CZUORRHYSA-N 2 0 356.430 0.998 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC000926352462 1211538407 /nfs/dbraw/zinc/53/84/07/1211538407.db2.gz ODGNZSFPCUQMCI-YESZJQIVSA-N 2 0 368.522 0.389 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CCO1 ZINC000926388465 1211544224 /nfs/dbraw/zinc/54/42/24/1211544224.db2.gz RJBZIFBAYGWWAD-VQIMIIECSA-N 2 0 366.506 0.300 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926391492 1211544868 /nfs/dbraw/zinc/54/48/68/1211544868.db2.gz NVNHWZKCORHLAC-HZPDHXFCSA-N 2 0 366.506 0.143 10 0 FCAERP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927631841 1211576541 /nfs/dbraw/zinc/57/65/41/1211576541.db2.gz WAKWSNACMWGWKL-ROUUACIJSA-N 2 0 366.506 0.792 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)C[NH+](C)C ZINC000927866705 1211587222 /nfs/dbraw/zinc/58/72/22/1211587222.db2.gz QRKOSDOPCLTBPW-OAHLLOKOSA-N 2 0 364.446 0.190 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C[NH+](C)C ZINC000927867336 1211587270 /nfs/dbraw/zinc/58/72/70/1211587270.db2.gz ZQZRQSBDXRWUNE-ZDUSSCGKSA-N 2 0 366.437 0.493 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)c2N)CC[NH+]1C ZINC000928432467 1211601716 /nfs/dbraw/zinc/60/17/16/1211601716.db2.gz JWGJBSISACCSKO-BQGCOEIASA-N 2 0 373.501 0.914 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)n2)CC[NH+]1C ZINC000928429088 1211602516 /nfs/dbraw/zinc/60/25/16/1211602516.db2.gz ZGUNZLILJVXBMR-KBUPBQIOSA-N 2 0 359.474 0.726 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000929143859 1211619042 /nfs/dbraw/zinc/61/90/42/1211619042.db2.gz XXMXAMJSRDIYPN-SQGPQFPESA-N 2 0 358.486 0.816 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000929231723 1211624620 /nfs/dbraw/zinc/62/46/20/1211624620.db2.gz IEAHDQVIZDRISW-MRXNPFEDSA-N 2 0 370.538 0.506 10 0 FCAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000930202208 1211695384 /nfs/dbraw/zinc/69/53/84/1211695384.db2.gz LBELLHYUHSZEST-DOTOQJQBSA-N 2 0 366.506 0.347 10 0 FCAERP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000930818653 1211723558 /nfs/dbraw/zinc/72/35/58/1211723558.db2.gz KOPMLUCHYSMXLB-HZPDHXFCSA-N 2 0 373.482 0.647 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1)c1ccccc1 ZINC000933761389 1211846789 /nfs/dbraw/zinc/84/67/89/1211846789.db2.gz IASJTBJNAHHGAY-ZWOKBUDYSA-N 2 0 358.486 0.993 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+]1CCCCC1 ZINC000827322167 1216586124 /nfs/dbraw/zinc/58/61/24/1216586124.db2.gz UJXNXKQMPPZWFD-RDJZCZTQSA-N 2 0 366.506 0.035 10 0 FCAERP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000900979238 1218065291 /nfs/dbraw/zinc/06/52/91/1218065291.db2.gz QZQJPWNBTFARHQ-BEFAXECRSA-N 2 0 368.522 0.184 10 0 FCAERP CC(C)[NH+]1CCC(N2CCN(C(=O)C[C@@]3(O)CCC[N@H+](C)C3)CC2)CC1 ZINC000901145465 1218085531 /nfs/dbraw/zinc/08/55/31/1218085531.db2.gz JAUJBRGXQTWWRS-FQEVSTJZSA-N 2 0 366.550 0.850 10 0 FCAERP CC(C)[NH+]1CCC(N2CCN(C(=O)C[C@]3(O)CCC[N@H+](C)C3)CC2)CC1 ZINC000901145466 1218085678 /nfs/dbraw/zinc/08/56/78/1218085678.db2.gz JAUJBRGXQTWWRS-HXUWFJFHSA-N 2 0 366.550 0.850 10 0 FCAERP CCO[C@@H]1C[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)C[C@H]1C[NH3+] ZINC000903461778 1218417549 /nfs/dbraw/zinc/41/75/49/1218417549.db2.gz YHHVSWINQFTDBT-RHSMWYFYSA-N 2 0 361.442 0.595 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N(C)Cc1ccccc1F)C2 ZINC000903491833 1218426692 /nfs/dbraw/zinc/42/66/92/1218426692.db2.gz CIQOVQRWXFFRHM-KHYOSLBOSA-N 2 0 363.433 0.996 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H]1CCCN(c3ccn(C)n3)C1=O)C2 ZINC000903492680 1218427106 /nfs/dbraw/zinc/42/71/06/1218427106.db2.gz JDRLDLBKJNAFFN-LWGWVAHUSA-N 2 0 361.446 0.128 10 0 FCAERP O=C(CC[NH+]1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1)N1CC[NH2+]CC1 ZINC000903577423 1218456710 /nfs/dbraw/zinc/45/67/10/1218456710.db2.gz KMYOGFDJYBRCKP-UHFFFAOYSA-N 2 0 358.446 0.212 10 0 FCAERP NC(=O)[C@@H](C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000903925026 1218565810 /nfs/dbraw/zinc/56/58/10/1218565810.db2.gz BROBOGALHQGCAS-GDBMZVCRSA-N 2 0 360.437 0.776 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000826882519 1218909794 /nfs/dbraw/zinc/90/97/94/1218909794.db2.gz MQBGCDOYZKCAKA-IRXDYDNUSA-N 2 0 366.506 0.299 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804050598 1219102136 /nfs/dbraw/zinc/10/21/36/1219102136.db2.gz JWXHOFJONSNGCE-GQGLESIBSA-N 2 0 366.506 0.202 10 0 FCAERP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001491018061 1220070831 /nfs/dbraw/zinc/07/08/31/1220070831.db2.gz GEOQTGKOGVVFEN-SBJFKYEJSA-N 2 0 367.494 0.188 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)Nc2cc(C)nn2C)CC[N@@H+]1C ZINC001491460842 1220141648 /nfs/dbraw/zinc/14/16/48/1220141648.db2.gz CWHCIEDOVDKOMW-SOUVJXGZSA-N 2 0 364.494 0.492 10 0 FCAERP COCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC001118381243 1221770886 /nfs/dbraw/zinc/77/08/86/1221770886.db2.gz GSZKVWRBZHYKLX-ROUUACIJSA-N 2 0 363.506 0.636 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH3+])CCO1 ZINC001118552520 1221799989 /nfs/dbraw/zinc/79/99/89/1221799989.db2.gz VKHKSWFTLFPMHR-KRWDZBQOSA-N 2 0 362.474 0.331 10 0 FCAERP C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001118751259 1221827514 /nfs/dbraw/zinc/82/75/14/1221827514.db2.gz XMRDWYYPQCILOZ-GJZGRUSLSA-N 2 0 363.510 0.564 10 0 FCAERP C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001118751261 1221827539 /nfs/dbraw/zinc/82/75/39/1221827539.db2.gz XMRDWYYPQCILOZ-LSDHHAIUSA-N 2 0 363.510 0.564 10 0 FCAERP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001118898765 1221842453 /nfs/dbraw/zinc/84/24/53/1221842453.db2.gz YZLBDOGBRYVMRU-WMLDXEAASA-N 2 0 366.506 0.189 10 0 FCAERP C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001123793987 1222357940 /nfs/dbraw/zinc/35/79/40/1222357940.db2.gz HGXVLGMJKSSZHG-BRSBDYLESA-N 3 0 368.570 0.002 10 0 FCAERP C[C@H](CNC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)N1CC[NH+](C)CC1 ZINC001123886746 1222363519 /nfs/dbraw/zinc/36/35/19/1222363519.db2.gz RICAZGQFBBJXQM-QGZVFWFLSA-N 2 0 367.538 0.376 10 0 FCAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000828284803 1222399170 /nfs/dbraw/zinc/39/91/70/1222399170.db2.gz SARHBVJFRDKELY-UAGQMJEPSA-N 2 0 366.506 0.033 10 0 FCAERP C[NH+]1CC2(C1)CCN(C(=O)/C=C/C=C\C(=O)N1CCC3(C[NH+](C)C3)C1)C2 ZINC000834522287 1222577446 /nfs/dbraw/zinc/57/74/46/1222577446.db2.gz MLVAXTFJDJAEDK-CIIODKQPSA-N 2 0 358.486 0.427 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H]3C)cc2)CC1 ZINC000841245711 1222816353 /nfs/dbraw/zinc/81/63/53/1222816353.db2.gz ZADIWLOCKSAXFX-YOEHRIQHSA-N 2 0 359.474 0.715 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841847420 1222830125 /nfs/dbraw/zinc/83/01/25/1222830125.db2.gz XVJAPUONUOTJPF-HUUCEWRRSA-N 2 0 363.414 0.814 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCNC(=O)/C=C/c2ccccc2)CC1 ZINC000819290071 1245316926 /nfs/dbraw/zinc/31/69/26/1245316926.db2.gz BZVMGKGQPZMGBU-SGQUHAKNSA-N 2 0 360.502 0.404 10 0 FCAERP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849587876 1245405313 /nfs/dbraw/zinc/40/53/13/1245405313.db2.gz VVFAOAYCQVLBIQ-KZNAEPCWSA-N 2 0 365.522 0.664 10 0 FCAERP CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849591568 1245405459 /nfs/dbraw/zinc/40/54/59/1245405459.db2.gz GJCLVUDAMXYQHN-QZTJIDSGSA-N 2 0 364.538 0.455 10 0 FCAERP CCN(CCC(N)=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000915541254 1245523089 /nfs/dbraw/zinc/52/30/89/1245523089.db2.gz BOBMJIKORMSAQZ-UHFFFAOYSA-N 2 0 362.478 0.501 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC[C@H]1CNC(=O)C1 ZINC000915542383 1245523751 /nfs/dbraw/zinc/52/37/51/1245523751.db2.gz KWIYOSNKORYZKB-MRXNPFEDSA-N 2 0 374.489 0.419 10 0 FCAERP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000917951607 1245562780 /nfs/dbraw/zinc/56/27/80/1245562780.db2.gz BNMMBQDMKMRUTK-SJORKVTESA-N 2 0 367.538 0.517 10 0 FCAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000923416469 1245718180 /nfs/dbraw/zinc/71/81/80/1245718180.db2.gz XCOMNUGSXKMUQT-WTTBNOFXSA-N 2 0 365.405 0.432 10 0 FCAERP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCNCC[NH2+]CC1 ZINC000923462563 1245722135 /nfs/dbraw/zinc/72/21/35/1245722135.db2.gz KZUQVXJIKUMLMW-GOSISDBHSA-N 2 0 373.545 0.651 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@@H+]1C ZINC000941222333 1246506380 /nfs/dbraw/zinc/50/63/80/1246506380.db2.gz SCYPUFWGLIRUNI-DLBZAZTESA-N 2 0 362.518 0.873 10 0 FCAERP CN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[C@H]1c1ccc(F)cc1 ZINC001327830502 1265437316 /nfs/dbraw/zinc/43/73/16/1265437316.db2.gz RIXUGHSAHIQIRB-LVQVYYBASA-N 2 0 366.412 0.585 10 0 FCAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001515150179 1265446722 /nfs/dbraw/zinc/44/67/22/1265446722.db2.gz MGDFQUCBNDYNES-JKSUJKDBSA-N 2 0 368.522 0.450 10 0 FCAERP CN(CCCN1CC[NH+](C)CC1)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001327933637 1265456858 /nfs/dbraw/zinc/45/68/58/1265456858.db2.gz YXCCDIZWHNZGPF-INIZCTEOSA-N 2 0 363.510 0.302 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)c1ccnc(C(=O)N(C)CC2C[NH+](C)C2)c1 ZINC001328583394 1265583884 /nfs/dbraw/zinc/58/38/84/1265583884.db2.gz VANGMXYGAYRWNZ-UHFFFAOYSA-N 2 0 359.474 0.349 10 0 FCAERP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC001329163069 1265704846 /nfs/dbraw/zinc/70/48/46/1265704846.db2.gz OGBPMEFKAWEOBF-DLBZAZTESA-N 2 0 366.506 0.156 10 0 FCAERP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@@H]1C[NH+](C)CCN1C ZINC001519655307 1265745038 /nfs/dbraw/zinc/74/50/38/1265745038.db2.gz QGHLAEVKVLRVTO-XUWVNRHRSA-N 2 0 355.552 0.500 10 0 FCAERP CO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H](C)C1 ZINC001329493366 1265767470 /nfs/dbraw/zinc/76/74/70/1265767470.db2.gz DASMKUJDHDGMPR-QBPKDAKJSA-N 2 0 368.522 0.210 10 0 FCAERP CO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H]1C ZINC001329510983 1265772760 /nfs/dbraw/zinc/77/27/60/1265772760.db2.gz LOSYUBBORXSFDY-VQHPVUNQSA-N 2 0 368.522 0.068 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001519824099 1265779691 /nfs/dbraw/zinc/77/96/91/1265779691.db2.gz FNVMJHWNIZMIAK-JKSUJKDBSA-N 2 0 350.507 0.920 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCN1C(=O)CC[NH+](C)C ZINC001519961007 1265814325 /nfs/dbraw/zinc/81/43/25/1265814325.db2.gz SWUDWKLPJRJRJC-FCEWJHQRSA-N 2 0 350.507 0.920 10 0 FCAERP O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC001329923968 1265894553 /nfs/dbraw/zinc/89/45/53/1265894553.db2.gz NFIYJONOJKGKMW-SQWLQELKSA-N 2 0 374.489 0.207 10 0 FCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001330024506 1265928262 /nfs/dbraw/zinc/92/82/62/1265928262.db2.gz QZSFWBYSFYQTIJ-WBVHZDCISA-N 2 0 368.522 0.450 10 0 FCAERP CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001520729712 1265980776 /nfs/dbraw/zinc/98/07/76/1265980776.db2.gz DTSHFVBGPJTOOS-OIISXLGYSA-N 2 0 350.507 0.776 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CCc2ccc3c(c2)CCO3)CC[N@@H+]1C ZINC001331712712 1266270188 /nfs/dbraw/zinc/27/01/88/1266270188.db2.gz RGNCSKIOBPCRBG-FHLIZLRMSA-N 2 0 361.486 0.571 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C[NH+]4CCCC4)[C@@H]3C2)CC[N@@H+]1C ZINC001335370761 1259629880 /nfs/dbraw/zinc/62/98/80/1259629880.db2.gz DDWOGKDDJIUGRH-NNPSNHGLSA-N 2 0 362.518 0.633 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@@H]1F ZINC001335599614 1259736332 /nfs/dbraw/zinc/73/63/32/1259736332.db2.gz YEPHODDUJPKGQZ-FPCVCCKLSA-N 2 0 356.486 0.391 10 0 FCAERP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001522012095 1266297609 /nfs/dbraw/zinc/29/76/09/1266297609.db2.gz FDWWJOCMTOGJMT-BRWVUGGUSA-N 2 0 362.518 0.777 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1cccc2c1C[NH2+]CC2 ZINC001261877173 1260206550 /nfs/dbraw/zinc/20/65/50/1260206550.db2.gz ZKHSIPKIACFOKL-BLLLJJGKSA-N 2 0 358.442 0.408 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCc2nc3ncccn3n2)C[C@H]1C[NH+](C)C ZINC001261993810 1260241881 /nfs/dbraw/zinc/24/18/81/1260241881.db2.gz XSFJBZYBPUGDNL-ZIAGYGMSSA-N 2 0 360.466 0.005 10 0 FCAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC001262252069 1260288530 /nfs/dbraw/zinc/28/85/30/1260288530.db2.gz JOGNXTVZJPPAHE-UAGQMJEPSA-N 2 0 366.506 0.345 10 0 FCAERP COCCCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001265584562 1260416184 /nfs/dbraw/zinc/41/61/84/1260416184.db2.gz PLVWGCJKSYZFRY-BRWVUGGUSA-N 2 0 368.522 0.308 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)Nc3cc(C)no3)C2)CC[N@@H+]1C ZINC001265905643 1260420121 /nfs/dbraw/zinc/42/01/21/1260420121.db2.gz SHKMQSXICVIMPZ-SOUVJXGZSA-N 2 0 363.462 0.842 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1cccc2c1C[NH2+]CC2 ZINC001332116397 1266338984 /nfs/dbraw/zinc/33/89/84/1266338984.db2.gz NMBKHOZWWGWXKU-CJNGLKHVSA-N 2 0 372.469 0.655 10 0 FCAERP Cc1cc(C)n(CC[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001278781912 1260731099 /nfs/dbraw/zinc/73/10/99/1260731099.db2.gz OZYJKRSMBQCMQE-ZHALLVOQSA-N 2 0 363.506 0.393 10 0 FCAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001281698208 1261158835 /nfs/dbraw/zinc/15/88/35/1261158835.db2.gz HUCUISRSSXRFAT-BRWVUGGUSA-N 2 0 368.522 0.281 10 0 FCAERP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001281797598 1261201401 /nfs/dbraw/zinc/20/14/01/1261201401.db2.gz UWQSQRWRVMDCGB-DJIMGWMZSA-N 2 0 362.518 0.633 10 0 FCAERP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001281891289 1261260941 /nfs/dbraw/zinc/26/09/41/1261260941.db2.gz ZKZHZQOZXHNFDS-BBWFWOEESA-N 2 0 368.522 0.138 10 0 FCAERP CCNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001282010861 1261330688 /nfs/dbraw/zinc/33/06/88/1261330688.db2.gz ORMRVYDOHKPHSW-PFSRBDOWSA-N 2 0 367.494 0.047 10 0 FCAERP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001282059132 1261335104 /nfs/dbraw/zinc/33/51/04/1261335104.db2.gz WIRJJKDGTCMJSU-SYNTWQANSA-N 2 0 358.486 0.562 10 0 FCAERP CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001522181988 1266404129 /nfs/dbraw/zinc/40/41/29/1266404129.db2.gz MWDSERKPBHJNHI-NCOADZHNSA-N 2 0 350.507 0.918 10 0 FCAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001522189924 1266408737 /nfs/dbraw/zinc/40/87/37/1266408737.db2.gz PIJWASLWQWQBAY-NCOADZHNSA-N 2 0 350.507 0.918 10 0 FCAERP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001282559515 1261529530 /nfs/dbraw/zinc/52/95/30/1261529530.db2.gz JXWIPRUVXQYLJU-BRWVUGGUSA-N 2 0 364.534 0.881 10 0 FCAERP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001345368900 1261687103 /nfs/dbraw/zinc/68/71/03/1261687103.db2.gz UWCAEALAKXVEHV-ZACQAIPSSA-N 2 0 366.506 0.156 10 0 FCAERP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1O ZINC001289735967 1262327811 /nfs/dbraw/zinc/32/78/11/1262327811.db2.gz FRARMCZISJPDJX-RYRKJORJSA-N 2 0 368.522 0.137 10 0 FCAERP C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCCC[N@@H+]4C)[C@@H]3C2)CC1 ZINC001289820882 1262350121 /nfs/dbraw/zinc/35/01/21/1262350121.db2.gz MLIGVHKGDLAYDF-IXDOHACOSA-N 2 0 362.518 0.872 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)COCC[NH+](C)C)CC[C@@H]2C1 ZINC001290518337 1262460955 /nfs/dbraw/zinc/46/09/55/1262460955.db2.gz DHMKXFIRTMDZEG-SJORKVTESA-N 2 0 368.522 0.212 10 0 FCAERP CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)CC[NH+](C)C)C[C@H]3C2)CC1 ZINC001290533494 1262466115 /nfs/dbraw/zinc/46/61/15/1262466115.db2.gz CJTAGDIHMCJSTR-MSOLQXFVSA-N 2 0 364.534 0.977 10 0 FCAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001292176746 1262661884 /nfs/dbraw/zinc/66/18/84/1262661884.db2.gz BNLCNKASEPWWPG-TVFCKZIOSA-N 2 0 362.518 0.918 10 0 FCAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001479489836 1263220778 /nfs/dbraw/zinc/22/07/78/1263220778.db2.gz UTJZTLWKSKDVJX-GUTXKFCHSA-N 2 0 352.483 0.069 10 0 FCAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)C1 ZINC001479493921 1263221981 /nfs/dbraw/zinc/22/19/81/1263221981.db2.gz BSSQGBYMJVPNET-RWMBFGLXSA-N 2 0 364.412 0.491 10 0 FCAERP CCO[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001479543487 1263248154 /nfs/dbraw/zinc/24/81/54/1263248154.db2.gz MIMVNTZKPXJMIR-NUEKZKHPSA-N 2 0 354.495 0.045 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@H](C)C(=O)N(C)C ZINC001479547007 1263248522 /nfs/dbraw/zinc/24/85/22/1263248522.db2.gz MWZIXWRRVHNTGO-BZUAXINKSA-N 2 0 354.495 0.012 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H](C)C(=O)N(C)C ZINC001479547006 1263248707 /nfs/dbraw/zinc/24/87/07/1263248707.db2.gz MWZIXWRRVHNTGO-ARFHVFGLSA-N 2 0 354.495 0.012 10 0 FCAERP CCO[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001479546595 1263248881 /nfs/dbraw/zinc/24/88/81/1263248881.db2.gz FIFOPZTZVPUOHH-ARFHVFGLSA-N 2 0 354.495 0.189 10 0 FCAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001479579192 1263261645 /nfs/dbraw/zinc/26/16/45/1263261645.db2.gz VIZWLPJQTOBURU-CVEARBPZSA-N 2 0 353.511 0.570 10 0 FCAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001316655318 1263402050 /nfs/dbraw/zinc/40/20/50/1263402050.db2.gz MKPHHXITDZPBML-ZNMIVQPWSA-N 2 0 363.462 0.972 10 0 FCAERP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccc(OC)cc1 ZINC001479751173 1263407584 /nfs/dbraw/zinc/40/75/84/1263407584.db2.gz BNFVTVHDIOMOMV-DLBZAZTESA-N 2 0 362.474 0.277 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)CC(F)(F)F)CC[N@@H+]1C ZINC001480464145 1263429807 /nfs/dbraw/zinc/42/98/07/1263429807.db2.gz OLKBWXFXYMWWQU-FRRDWIJNSA-N 2 0 366.428 0.832 10 0 FCAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)Nc1nccs1 ZINC001480765186 1263435038 /nfs/dbraw/zinc/43/50/38/1263435038.db2.gz AKLPPRCWXDGCAX-YNEHKIRRSA-N 2 0 353.492 0.906 10 0 FCAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nnnn1C(C)(C)C ZINC001480765585 1263435481 /nfs/dbraw/zinc/43/54/81/1263435481.db2.gz OLMHXWLDYMUYFB-BFHYXJOUSA-N 2 0 351.499 0.753 10 0 FCAERP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001316759798 1263465864 /nfs/dbraw/zinc/46/58/64/1263465864.db2.gz WYFDXVKCHMNKCU-KURKYZTESA-N 2 0 364.534 0.975 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+][C@@H](C)c2cnc(C)cn2)CC[N@@H+]1C ZINC001484483733 1263476230 /nfs/dbraw/zinc/47/62/30/1263476230.db2.gz YVRCAZGBVBDCIW-XYJFISCASA-N 2 0 363.506 0.987 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(=O)NCC(C)C)CC[N@@H+]1C ZINC001317240456 1263504865 /nfs/dbraw/zinc/50/48/65/1263504865.db2.gz GNUSSSWFPUOWSQ-SOUVJXGZSA-N 2 0 369.510 0.293 10 0 FCAERP Cc1nnc(NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001485878038 1263517611 /nfs/dbraw/zinc/51/76/11/1263517611.db2.gz QBSMYZPPFGQSBY-DMDPSCGWSA-N 2 0 368.507 0.562 10 0 FCAERP CCNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001486143877 1263526318 /nfs/dbraw/zinc/52/63/18/1263526318.db2.gz FLKNQHMIYJRITF-MKSNKDDYSA-N 2 0 350.507 0.966 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH2+]Cc2cc3n(n2)CCC3)CC[N@@H+]1C ZINC001486496959 1263540212 /nfs/dbraw/zinc/54/02/12/1263540212.db2.gz ZEZBDRGIVFZISL-CRAIPNDOSA-N 2 0 363.506 0.734 10 0 FCAERP 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ZINC000249138170 488507063 /nfs/dbraw/zinc/50/70/63/488507063.db2.gz FDZCKPZGIZFAID-CABCVRRESA-N 2 0 362.478 0.468 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000261699348 488531522 /nfs/dbraw/zinc/53/15/22/488531522.db2.gz JQEOTYGBGPISAO-SLFFLAALSA-N 2 0 374.529 0.886 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112290785 488534191 /nfs/dbraw/zinc/53/41/91/488534191.db2.gz LOVBHNYBSQZTJP-QGZVFWFLSA-N 2 0 361.490 0.674 10 0 FCAERP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000262052938 488548349 /nfs/dbraw/zinc/54/83/49/488548349.db2.gz RBQUOVJBGJBNJX-QGZVFWFLSA-N 2 0 362.474 0.348 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000123183237 488583008 /nfs/dbraw/zinc/58/30/08/488583008.db2.gz SHEOMPXMYJICCX-FGTMMUONSA-N 3 0 354.539 0.874 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000273158284 488635580 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363.506 0.920 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000178592551 488860493 /nfs/dbraw/zinc/86/04/93/488860493.db2.gz CXGZOVJTSHTBDZ-HZPDHXFCSA-N 2 0 354.495 0.108 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000565317249 491369401 /nfs/dbraw/zinc/36/94/01/491369401.db2.gz LXRIBXCOYQBCPA-MRXNPFEDSA-N 2 0 354.495 0.206 10 0 FCAERP O=C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000570335935 491234756 /nfs/dbraw/zinc/23/47/56/491234756.db2.gz PRLZWSAMUVZWHT-HDICACEKSA-N 2 0 364.534 0.964 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000563291846 491235594 /nfs/dbraw/zinc/23/55/94/491235594.db2.gz FWGCXFLFSDPVFR-UHFFFAOYSA-N 2 0 354.495 0.206 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000657071709 492709535 /nfs/dbraw/zinc/70/95/35/492709535.db2.gz SMBQOYNWQVENFI-RRFJBIMHSA-N 2 0 350.529 0.202 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000563452574 491248751 /nfs/dbraw/zinc/24/87/51/491248751.db2.gz XVQHHGDPVTZCKK-OAHLLOKOSA-N 2 0 353.511 0.808 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000563459586 491249351 /nfs/dbraw/zinc/24/93/51/491249351.db2.gz XRZUCFMSSXHDNL-HOCLYGCPSA-N 2 0 365.522 0.901 10 0 FCAERP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000570571155 491250408 /nfs/dbraw/zinc/25/04/08/491250408.db2.gz AAARMBQDFCJEHS-GDBMZVCRSA-N 2 0 359.474 0.868 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000563540981 491253775 /nfs/dbraw/zinc/25/37/75/491253775.db2.gz BQVFSQMUKBIXNH-CVEARBPZSA-N 2 0 368.522 0.450 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000563540982 491253914 /nfs/dbraw/zinc/25/39/14/491253914.db2.gz BQVFSQMUKBIXNH-HOTGVXAUSA-N 2 0 368.522 0.450 10 0 FCAERP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000423224688 489505387 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ORWMMQPNDUYANZ-JKSUJKDBSA-N 2 0 351.495 0.465 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000417748613 489664014 /nfs/dbraw/zinc/66/40/14/489664014.db2.gz KLAFGFGTXTVOSS-MRXNPFEDSA-N 2 0 353.511 0.605 10 0 FCAERP COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000373089483 489667187 /nfs/dbraw/zinc/66/71/87/489667187.db2.gz IKCBTMVUOQEYAU-HOTGVXAUSA-N 2 0 355.479 0.487 10 0 FCAERP C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C[NH+]1CCN(C)CC1 ZINC000458434410 489683268 /nfs/dbraw/zinc/68/32/68/489683268.db2.gz JMCPGHVJFCTAHV-DLBZAZTESA-N 2 0 355.527 0.016 10 0 FCAERP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000458446382 489684242 /nfs/dbraw/zinc/68/42/42/489684242.db2.gz WOZPPNWOHZYWIH-HNNXBMFYSA-N 2 0 358.446 0.721 10 0 FCAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458468411 489685133 /nfs/dbraw/zinc/68/51/33/489685133.db2.gz UZHLZJFQFNMUBA-ROUUACIJSA-N 2 0 369.554 0.406 10 0 FCAERP C[N@H+](CCCNC(=O)C1CCC1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000429554785 489691897 /nfs/dbraw/zinc/69/18/97/489691897.db2.gz KUMAYXOGETUUIX-UHFFFAOYSA-N 2 0 350.507 0.968 10 0 FCAERP [NH3+][C@H](CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000418443963 489699092 /nfs/dbraw/zinc/69/90/92/489699092.db2.gz GEQHGSXLOVQNGU-DLBZAZTESA-N 2 0 359.474 0.540 10 0 FCAERP [NH3+][C@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000418448082 489699522 /nfs/dbraw/zinc/69/95/22/489699522.db2.gz JEGDWYYGMDKZBN-QGZVFWFLSA-N 2 0 361.490 0.978 10 0 FCAERP C[C@@]1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000418818033 489736331 /nfs/dbraw/zinc/73/63/31/489736331.db2.gz NGJXDTPGKSYAQW-PXNSSMCTSA-N 2 0 374.485 0.262 10 0 FCAERP CN(c1ccccc1C[NH2+]C[C@H](O)Cn1ccnn1)C1CC[NH+](C)CC1 ZINC000459695597 489747939 /nfs/dbraw/zinc/74/79/39/489747939.db2.gz LBFYZMSZQMJDSI-SFHVURJKSA-N 2 0 358.490 0.959 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418878615 489770992 /nfs/dbraw/zinc/77/09/92/489770992.db2.gz RFGSZKBNSGZUJN-KSZLIROESA-N 2 0 358.486 0.628 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)[C@H]1c1ccccc1 ZINC000418916887 489790831 /nfs/dbraw/zinc/79/08/31/489790831.db2.gz XRVRSQQLBYYVEC-IXDOHACOSA-N 2 0 360.458 0.043 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[C@@H]1[NH3+] ZINC000418943345 489798293 /nfs/dbraw/zinc/79/82/93/489798293.db2.gz BMIXDAPBWMXEEM-LRDDRELGSA-N 2 0 350.438 0.699 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000418956993 489803577 /nfs/dbraw/zinc/80/35/77/489803577.db2.gz CYXVSYBYJDAMTB-CABCVRRESA-N 2 0 350.438 0.890 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@@H](C)[NH2+]1 ZINC000418958243 489804722 /nfs/dbraw/zinc/80/47/22/489804722.db2.gz FZZBGSYBJQDRRN-CHWSQXEVSA-N 2 0 350.438 0.712 10 0 FCAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418997928 489813432 /nfs/dbraw/zinc/81/34/32/489813432.db2.gz GNMLKABXMQMJSW-MSOLQXFVSA-N 2 0 356.470 0.719 10 0 FCAERP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000419007042 489815770 /nfs/dbraw/zinc/81/57/70/489815770.db2.gz REFNRJWZPULVLQ-SFHVURJKSA-N 2 0 358.486 0.967 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419045222 489832279 /nfs/dbraw/zinc/83/22/79/489832279.db2.gz RXYSIAJQKGHOSG-INIZCTEOSA-N 2 0 354.495 0.250 10 0 FCAERP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000419988907 489873851 /nfs/dbraw/zinc/87/38/51/489873851.db2.gz AIFYGAVTQLOFAW-SFHVURJKSA-N 2 0 358.486 0.979 10 0 FCAERP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000419994820 489875740 /nfs/dbraw/zinc/87/57/40/489875740.db2.gz HNROLNDBYVRHAO-INIZCTEOSA-N 2 0 350.507 0.827 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420058355 489897037 /nfs/dbraw/zinc/89/70/37/489897037.db2.gz JRIZVOMXUYXOBC-HOCLYGCPSA-N 2 0 368.522 0.796 10 0 FCAERP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000420094517 489910390 /nfs/dbraw/zinc/91/03/90/489910390.db2.gz JEKVSWZAWSSEFZ-INIZCTEOSA-N 2 0 367.538 0.249 10 0 FCAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000420105469 489914021 /nfs/dbraw/zinc/91/40/21/489914021.db2.gz SKTWKFBXAQHSQU-AEFFLSMTSA-N 2 0 360.502 0.999 10 0 FCAERP COCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420164516 489937073 /nfs/dbraw/zinc/93/70/73/489937073.db2.gz MBCDRYBBQDXHDS-QGZVFWFLSA-N 2 0 362.474 0.072 10 0 FCAERP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1nccn1CC(F)(F)F ZINC000477109946 489944515 /nfs/dbraw/zinc/94/45/15/489944515.db2.gz VIGZBXZXMMZAHX-LLVKDONJSA-N 2 0 363.384 0.908 10 0 FCAERP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000434721669 489952622 /nfs/dbraw/zinc/95/26/22/489952622.db2.gz ZBGDUNAHHSXFKZ-IUODEOHRSA-N 2 0 364.446 0.049 10 0 FCAERP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000434721671 489952729 /nfs/dbraw/zinc/95/27/29/489952729.db2.gz ZBGDUNAHHSXFKZ-WFASDCNBSA-N 2 0 364.446 0.049 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[NH2+]CCC3(F)F)cn2)CC1 ZINC000571183278 491291168 /nfs/dbraw/zinc/29/11/68/491291168.db2.gz OIUJSFNARDODNO-CQSZACIVSA-N 2 0 368.432 0.630 10 0 FCAERP COC(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1Cl ZINC000420453463 489979812 /nfs/dbraw/zinc/97/98/12/489979812.db2.gz KHNHOJQYGAXSNC-UHFFFAOYSA-N 2 0 363.867 0.815 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000477678764 489983954 /nfs/dbraw/zinc/98/39/54/489983954.db2.gz NONPBELWIBXMOT-MRXNPFEDSA-N 2 0 354.495 0.062 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC(F)(F)[C@@H](CO)C2)C1 ZINC000463224673 490005651 /nfs/dbraw/zinc/00/56/51/490005651.db2.gz FSYJXRRRKXTJKK-CABCVRRESA-N 2 0 363.449 0.409 10 0 FCAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000378247207 490033072 /nfs/dbraw/zinc/03/30/72/490033072.db2.gz KCNDIRWSFOIAFB-HZMVEIRTSA-N 2 0 359.536 0.842 10 0 FCAERP CC1(C)CC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC(C)(C)[NH2+]1 ZINC000556167253 491299191 /nfs/dbraw/zinc/29/91/91/491299191.db2.gz IRZWYNJMGMDDIA-UHFFFAOYSA-N 2 0 368.522 0.640 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379674640 490125665 /nfs/dbraw/zinc/12/56/65/490125665.db2.gz UYQHDBITEJTUDL-MSOLQXFVSA-N 2 0 367.515 0.949 10 0 FCAERP C[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386657884 490131234 /nfs/dbraw/zinc/13/12/34/490131234.db2.gz UUMLRUJWAVHWCV-RYQLBKOJSA-N 2 0 367.515 0.805 10 0 FCAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000532998303 490154479 /nfs/dbraw/zinc/15/44/79/490154479.db2.gz MYTNORSBVAXARA-GASCZTMLSA-N 2 0 364.494 0.762 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397606312 490166680 /nfs/dbraw/zinc/16/66/80/490166680.db2.gz XEAPPBWBIABGCD-SFHVURJKSA-N 2 0 367.515 0.806 10 0 FCAERP COCC[C@@]1([NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC000447404086 490231949 /nfs/dbraw/zinc/23/19/49/490231949.db2.gz IFUPQDLAWFLXGF-SJLPKXTDSA-N 2 0 357.495 0.245 10 0 FCAERP O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000521275810 490244537 /nfs/dbraw/zinc/24/45/37/490244537.db2.gz NKOIEOPZNVDLEC-OALUTQOASA-N 2 0 356.507 0.977 10 0 FCAERP CC[N@@H+]1C[C@H](C)N(CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000498925801 490365240 /nfs/dbraw/zinc/36/52/40/490365240.db2.gz ACQOWRWYWWUZTR-FGTMMUONSA-N 2 0 354.539 0.874 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000534523909 490376345 /nfs/dbraw/zinc/37/63/45/490376345.db2.gz AGPAQXRZOZAINW-MRXNPFEDSA-N 2 0 362.478 0.157 10 0 FCAERP COc1cc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1C ZINC000548166305 490431519 /nfs/dbraw/zinc/43/15/19/490431519.db2.gz AGGDRUSKMXNEIU-UHFFFAOYSA-N 2 0 373.461 1.158 10 0 FCAERP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000411400251 490449274 /nfs/dbraw/zinc/44/92/74/490449274.db2.gz TUJYRQQBQPXHGY-KRWDZBQOSA-N 2 0 350.507 0.969 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C(=O)NCC[NH+](C)C ZINC000535428723 490489954 /nfs/dbraw/zinc/48/99/54/490489954.db2.gz APUFQBJHEDWAIP-HYVNUMGLSA-N 2 0 367.538 0.861 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCC(=O)N2Cc3ccccc3C2)CC1 ZINC000564857243 491331900 /nfs/dbraw/zinc/33/19/00/491331900.db2.gz QZBHRYOQVHKTNX-IBGZPJMESA-N 2 0 360.502 0.507 10 0 FCAERP CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)N2CCN(CC)CC2)CC12COC2 ZINC000451138890 490519623 /nfs/dbraw/zinc/51/96/23/490519623.db2.gz REHNCJOMMHMLTN-LSDHHAIUSA-N 2 0 353.463 0.051 10 0 FCAERP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423058306 490532269 /nfs/dbraw/zinc/53/22/69/490532269.db2.gz JEJHZEOGNWVGSB-ZWKOTPCHSA-N 2 0 358.486 0.787 10 0 FCAERP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423062269 490533354 /nfs/dbraw/zinc/53/33/54/490533354.db2.gz STUDALUIJMEQAO-CGTJXYLNSA-N 2 0 358.486 0.915 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(=O)[nH]c(N(C)C)n1 ZINC000549707435 490594529 /nfs/dbraw/zinc/59/45/29/490594529.db2.gz JIXJMWQEVTWCBN-CQSZACIVSA-N 2 0 364.494 0.736 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000572148993 491352231 /nfs/dbraw/zinc/35/22/31/491352231.db2.gz MURFEVWRTMYMBR-WTGUMLROSA-N 2 0 372.513 0.341 10 0 FCAERP C[NH+](C)CCn1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000565183132 491357913 /nfs/dbraw/zinc/35/79/13/491357913.db2.gz VNRUBYXXBZYLFN-KRWDZBQOSA-N 2 0 362.522 0.687 10 0 FCAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000565187145 491358507 /nfs/dbraw/zinc/35/85/07/491358507.db2.gz DJCZMHXLTCXQED-BRWVUGGUSA-N 2 0 352.523 0.927 10 0 FCAERP C[C@@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C1=CC[N@H+](C)CC1 ZINC000516065118 490848564 /nfs/dbraw/zinc/84/85/64/490848564.db2.gz BFGHIKSJDCVLAS-KDOFPFPSSA-N 2 0 356.470 0.838 10 0 FCAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529312922 490849739 /nfs/dbraw/zinc/84/97/39/490849739.db2.gz JKOPPZQOYQJZRJ-HOTGVXAUSA-N 2 0 366.510 0.212 10 0 FCAERP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1=O ZINC000529721444 490866587 /nfs/dbraw/zinc/86/65/87/490866587.db2.gz WABWAQVUTSIMOT-NVXWUHKLSA-N 2 0 350.507 0.920 10 0 FCAERP CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000516658308 490873499 /nfs/dbraw/zinc/87/34/99/490873499.db2.gz IGBJBBMQHJOGLK-UHFFFAOYSA-N 2 0 350.507 0.921 10 0 FCAERP NC(=O)C[C@H]1CCCC[N@@H+]1CC1(C[NH+]2CCCC[C@H]2CC(N)=O)COC1 ZINC000542000718 490881895 /nfs/dbraw/zinc/88/18/95/490881895.db2.gz MBDNEONBYSJRPT-IYBDPMFKSA-N 2 0 366.506 0.463 10 0 FCAERP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241073 490895209 /nfs/dbraw/zinc/89/52/09/490895209.db2.gz PLMCTCMHZLRUOV-INIZCTEOSA-N 2 0 364.490 0.942 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000517384472 490906855 /nfs/dbraw/zinc/90/68/55/490906855.db2.gz BKRAHECZHDSSGZ-DOTOQJQBSA-N 2 0 366.506 0.156 10 0 FCAERP Cn1nc(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2ccccc2c1=O ZINC000531357619 490953556 /nfs/dbraw/zinc/95/35/56/490953556.db2.gz JPZQYCBALAVTSF-UHFFFAOYSA-N 2 0 359.474 0.428 10 0 FCAERP CN1CC[NH+](CC2(C)CC[NH+](C[C@H](O)COC[C@@H]3CCCO3)CC2)CC1 ZINC000544486656 490969762 /nfs/dbraw/zinc/96/97/62/490969762.db2.gz HEPGKMRDZXAXBG-OALUTQOASA-N 2 0 369.550 0.892 10 0 FCAERP C(CC[NH+]1CCN2CCOC[C@@H]2C1)CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000544530817 490971499 /nfs/dbraw/zinc/97/14/99/490971499.db2.gz VMOZHPBZUKOJMS-KDURUIRLSA-N 2 0 352.523 0.190 10 0 FCAERP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000614068802 492013383 /nfs/dbraw/zinc/01/33/83/492013383.db2.gz PKWLHMDYWMYGKD-WOJBJXKFSA-N 2 0 361.486 0.539 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000569585123 491171234 /nfs/dbraw/zinc/17/12/34/491171234.db2.gz XUTXSPCFHKUJIP-HZPDHXFCSA-N 2 0 356.511 0.450 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000660293941 493339791 /nfs/dbraw/zinc/33/97/91/493339791.db2.gz GPMPPHDWZRQQPF-FUHWJXTLSA-N 2 0 373.501 0.919 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668361627 493340451 /nfs/dbraw/zinc/34/04/51/493340451.db2.gz GWLRRRNHOCAPAF-KRWDZBQOSA-N 2 0 366.506 0.033 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCCC1 ZINC000668360060 493340536 /nfs/dbraw/zinc/34/05/36/493340536.db2.gz OOXINBWAFOXMFT-MRXNPFEDSA-N 2 0 366.506 0.035 10 0 FCAERP CCN(C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000668369246 493341853 /nfs/dbraw/zinc/34/18/53/493341853.db2.gz ROJMGADTIPRBQQ-ZWKOTPCHSA-N 2 0 360.502 0.828 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000573238002 491422108 /nfs/dbraw/zinc/42/21/08/491422108.db2.gz JGKFDGFBUVMVBZ-ROUUACIJSA-N 2 0 364.465 0.125 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000573477792 491435822 /nfs/dbraw/zinc/43/58/22/491435822.db2.gz KFNGBZYXAZNQPR-INIZCTEOSA-N 2 0 374.485 0.261 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000566679382 491460219 /nfs/dbraw/zinc/46/02/19/491460219.db2.gz UCWRTBAOEXGHDM-AEFFLSMTSA-N 2 0 374.485 0.298 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000566792292 491466958 /nfs/dbraw/zinc/46/69/58/491466958.db2.gz QAOHUCWDVCTEMD-PMACEKPBSA-N 2 0 374.529 0.418 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000566983995 491479002 /nfs/dbraw/zinc/47/90/02/491479002.db2.gz BGIRVVNFWMJRDI-UHFFFAOYSA-N 2 0 355.527 0.959 10 0 FCAERP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000660349159 493345940 /nfs/dbraw/zinc/34/59/40/493345940.db2.gz UTCFIZLPDDUELI-RDJZCZTQSA-N 2 0 359.474 0.671 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000567173890 491490473 /nfs/dbraw/zinc/49/04/73/491490473.db2.gz RZUCNUFWKJQXJT-UHFFFAOYSA-N 2 0 368.522 0.452 10 0 FCAERP C[C@]1(F)C[NH2+]CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000567475726 491508040 /nfs/dbraw/zinc/50/80/40/491508040.db2.gz VAAOQKLHDYYDRN-SFHVURJKSA-N 2 0 370.513 0.771 10 0 FCAERP CC(C)(CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C[NH+]1CCCC1 ZINC000574623803 491508936 /nfs/dbraw/zinc/50/89/36/491508936.db2.gz CVIAZZYTTCYEKQ-IBGZPJMESA-N 2 0 350.507 0.827 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000668398090 493347741 /nfs/dbraw/zinc/34/77/41/493347741.db2.gz WTUAIVHDBSNWAY-QGZVFWFLSA-N 2 0 368.522 0.548 10 0 FCAERP CN(C(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000574796726 491520439 /nfs/dbraw/zinc/52/04/39/491520439.db2.gz DPOWUHUOUVFUER-JKSUJKDBSA-N 2 0 350.507 0.918 10 0 FCAERP COc1ccc(C[C@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1OC ZINC000567692619 491523008 /nfs/dbraw/zinc/52/30/08/491523008.db2.gz YTMMSDCSBZBCRV-RDJZCZTQSA-N 2 0 351.491 0.833 10 0 FCAERP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000567753344 491527366 /nfs/dbraw/zinc/52/73/66/491527366.db2.gz QFPGGKXGMXMXJP-KRWDZBQOSA-N 2 0 359.474 0.184 10 0 FCAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000567835185 491533389 /nfs/dbraw/zinc/53/33/89/491533389.db2.gz DBLOSIJHJJJPEL-IXDOHACOSA-N 2 0 350.507 0.955 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](CO)Cc2ccncc2Cl)CC1 ZINC000567873535 491536298 /nfs/dbraw/zinc/53/62/98/491536298.db2.gz XZFODGXXPCMWTL-GOEBONIOSA-N 2 0 356.898 0.084 10 0 FCAERP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000567874653 491536997 /nfs/dbraw/zinc/53/69/97/491536997.db2.gz SSASLVWNMSKUAI-UXHICEINSA-N 2 0 363.502 0.426 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000567926903 491541657 /nfs/dbraw/zinc/54/16/57/491541657.db2.gz VABANGLEKGIRQU-UHFFFAOYSA-N 2 0 368.522 0.405 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cn1 ZINC000683431633 493352105 /nfs/dbraw/zinc/35/21/05/493352105.db2.gz VLXBMOAVRPVJFL-INIZCTEOSA-N 2 0 362.478 0.516 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000577202178 491601249 /nfs/dbraw/zinc/60/12/49/491601249.db2.gz RZVRCJBSZVJGGU-OFLPRAFFSA-N 2 0 368.522 0.450 10 0 FCAERP CC[NH+]1CCN(Cc2ccc(CNC(=O)CCOC3C[NH2+]C3)cc2)CC1 ZINC000568862468 491614515 /nfs/dbraw/zinc/61/45/15/491614515.db2.gz NNOSYLCVTUAZAE-UHFFFAOYSA-N 2 0 360.502 0.819 10 0 FCAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000577396414 491618838 /nfs/dbraw/zinc/61/88/38/491618838.db2.gz RWXZZQQZNPSXPJ-RCCFBDPRSA-N 2 0 356.470 0.814 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000576495732 491619860 /nfs/dbraw/zinc/61/98/60/491619860.db2.gz VZHFKXHQVIOCFB-QGZVFWFLSA-N 2 0 366.506 0.204 10 0 FCAERP O=C(NCCN1CC[NH2+]CC1)NCCN1CCc2c(Cl)cccc2C1 ZINC000576569562 491625511 /nfs/dbraw/zinc/62/55/11/491625511.db2.gz MXVZWIZBNPNAIG-UHFFFAOYSA-N 2 0 365.909 0.903 10 0 FCAERP O=C(NC1CCN(c2ccccn2)CC1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000569025010 491628224 /nfs/dbraw/zinc/62/82/24/491628224.db2.gz TVKMFUQUWKCXOH-KRWDZBQOSA-N 2 0 371.485 0.863 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000561880953 491637776 /nfs/dbraw/zinc/63/77/76/491637776.db2.gz DCGZBWDOKCHHMW-HOCLYGCPSA-N 2 0 350.507 0.966 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000577652010 491640322 /nfs/dbraw/zinc/64/03/22/491640322.db2.gz YULHBLQNEPSTGZ-GDBMZVCRSA-N 2 0 353.511 0.794 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000562025261 491648903 /nfs/dbraw/zinc/64/89/03/491648903.db2.gz XDWDLZIGJYNKME-OAHLLOKOSA-N 2 0 356.511 0.138 10 0 FCAERP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668464641 493358720 /nfs/dbraw/zinc/35/87/20/493358720.db2.gz HWOUWFHHQWTUHR-MRXNPFEDSA-N 2 0 367.538 0.118 10 0 FCAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000578251455 491673460 /nfs/dbraw/zinc/67/34/60/491673460.db2.gz AACROZAIDFPTQJ-HZPDHXFCSA-N 2 0 354.495 0.204 10 0 FCAERP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC4(CC[NH2+]4)CC3)CC2)c1 ZINC000578434435 491677157 /nfs/dbraw/zinc/67/71/57/491677157.db2.gz YJVCOHKWKZBIPC-UHFFFAOYSA-N 2 0 373.457 0.093 10 0 FCAERP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000578443138 491677416 /nfs/dbraw/zinc/67/74/16/491677416.db2.gz XOUYOOJHFNNUOZ-GOSISDBHSA-N 2 0 358.486 0.871 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000579497135 491699265 /nfs/dbraw/zinc/69/92/65/491699265.db2.gz GUEQNSGSXGZPDS-ZBFHGGJFSA-N 2 0 351.495 0.513 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1=O ZINC000579838220 491706452 /nfs/dbraw/zinc/70/64/52/491706452.db2.gz MYGCMNUEQBVEOO-SQGPQFPESA-N 2 0 362.518 0.921 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000579876971 491707553 /nfs/dbraw/zinc/70/75/53/491707553.db2.gz NKZWOXWWERVXRW-UHFFFAOYSA-N 3 0 367.538 0.071 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)ccc1F ZINC000580173633 491720315 /nfs/dbraw/zinc/72/03/15/491720315.db2.gz ORKOSACYDCWVQJ-CQSZACIVSA-N 2 0 350.438 0.701 10 0 FCAERP CC[NH+](CC)CCS(=O)(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000582151169 491800307 /nfs/dbraw/zinc/80/03/07/491800307.db2.gz LDSVHLFHOJFWAS-KRWDZBQOSA-N 2 0 360.568 0.760 10 0 FCAERP CC1CC[NH+](CCNC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000668498968 493364776 /nfs/dbraw/zinc/36/47/76/493364776.db2.gz YWPCOLHYBKMSGL-QGZVFWFLSA-N 2 0 368.522 0.404 10 0 FCAERP CCOC[C@H](O)C[NH+]1CCCC2(CCC[N@@H+](C[C@@H](O)COCC)C2)C1 ZINC000582753604 491825488 /nfs/dbraw/zinc/82/54/88/491825488.db2.gz KEVANTGTLBWFSG-PWCSWUJKSA-N 2 0 358.523 0.959 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNC(=O)c2ccccc2Cl)CC1 ZINC000583560180 491847519 /nfs/dbraw/zinc/84/75/19/491847519.db2.gz YGNOKTZWXDXEEU-AWEZNQCLSA-N 2 0 354.882 0.268 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)[C@@H](C)C1 ZINC000583570955 491847857 /nfs/dbraw/zinc/84/78/57/491847857.db2.gz SAYQZJUVEJZUNW-DOTOQJQBSA-N 2 0 368.522 0.402 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000583688486 491850162 /nfs/dbraw/zinc/85/01/62/491850162.db2.gz LOAXSXUXZGSRLZ-HXUWFJFHSA-N 2 0 362.518 0.217 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611849000 491878151 /nfs/dbraw/zinc/87/81/51/491878151.db2.gz JQSYNQQDFDYCTH-ZBFHGGJFSA-N 2 0 354.495 0.202 10 0 FCAERP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000600711193 491878199 /nfs/dbraw/zinc/87/81/99/491878199.db2.gz RSNCONKJQSTDGL-HNAYVOBHSA-N 2 0 361.442 0.901 10 0 FCAERP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000612041216 491894190 /nfs/dbraw/zinc/89/41/90/491894190.db2.gz RZUIFHBLGOEXKR-CAOSSQGBSA-N 2 0 368.522 0.589 10 0 FCAERP COC(=O)CCN1CCC[C@H]([N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000595391674 491927596 /nfs/dbraw/zinc/92/75/96/491927596.db2.gz MORJBAJCGFEYPA-KRWDZBQOSA-N 2 0 368.522 0.498 10 0 FCAERP CN(C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000612782870 491950774 /nfs/dbraw/zinc/95/07/74/491950774.db2.gz WUXGDLIRPJGUQG-GOSISDBHSA-N 2 0 362.518 0.920 10 0 FCAERP COC(=O)CCN1CCC[C@@H]([N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000595896078 491959805 /nfs/dbraw/zinc/95/98/05/491959805.db2.gz ZJCJSPBCHWPSLH-LSDHHAIUSA-N 2 0 353.463 0.228 10 0 FCAERP COC(=O)CN1CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000597186052 492021957 /nfs/dbraw/zinc/02/19/57/492021957.db2.gz DSOCWJYUZHLLJC-LJQANCHMSA-N 2 0 361.486 0.980 10 0 FCAERP CC[C@@H](C(=O)NCC1(CNC(=O)[C@H](CC)[NH+](C)C)CCOCC1)[NH+](C)C ZINC000614861404 492061315 /nfs/dbraw/zinc/06/13/15/492061315.db2.gz NQDGGKPKTLSQKJ-HOTGVXAUSA-N 2 0 370.538 0.696 10 0 FCAERP CCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1)[C@H]1CC[N@H+](C)C1 ZINC000617554384 492175612 /nfs/dbraw/zinc/17/56/12/492175612.db2.gz APTHYZCIVOEUEA-ZACQAIPSSA-N 2 0 350.507 0.872 10 0 FCAERP COC(=O)[C@@]1(OC)CC[NH+](C/C=C\C[N@H+]2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC000599559416 492187325 /nfs/dbraw/zinc/18/73/25/492187325.db2.gz VCFJKYMTHKNUFD-SPCWZHTESA-N 2 0 370.446 0.070 10 0 FCAERP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627440355 492296896 /nfs/dbraw/zinc/29/68/96/492296896.db2.gz IJPXNXPOBMVPSF-HOCLYGCPSA-N 2 0 364.490 0.099 10 0 FCAERP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627440354 492297015 /nfs/dbraw/zinc/29/70/15/492297015.db2.gz IJPXNXPOBMVPSF-GOEBONIOSA-N 2 0 364.490 0.099 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]1 ZINC000627477371 492314852 /nfs/dbraw/zinc/31/48/52/492314852.db2.gz VCIVZFRNKFSVCN-QXCFHYIPSA-N 2 0 370.497 0.976 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627478040 492315013 /nfs/dbraw/zinc/31/50/13/492315013.db2.gz GMHAVJCNTPSIIJ-BZUAXINKSA-N 2 0 354.495 0.202 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654531736 492316497 /nfs/dbraw/zinc/31/64/97/492316497.db2.gz GAQZHGQGMIJZGL-LULLPPNCSA-N 2 0 358.486 0.967 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C[NH2+]1 ZINC000627481634 492316917 /nfs/dbraw/zinc/31/69/17/492316917.db2.gz GIIUITCNODWETN-KGLIPLIRSA-N 2 0 352.504 0.895 10 0 FCAERP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627487783 492319129 /nfs/dbraw/zinc/31/91/29/492319129.db2.gz KNHITMBFTAVEPR-IRXDYDNUSA-N 2 0 368.522 0.581 10 0 FCAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000647595181 492331065 /nfs/dbraw/zinc/33/10/65/492331065.db2.gz RGAWZZCUWPXSKZ-RDTXWAMCSA-N 2 0 356.470 0.672 10 0 FCAERP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)C1=O ZINC000647600999 492333273 /nfs/dbraw/zinc/33/32/73/492333273.db2.gz RLMBBNAKHJHQPJ-SJORKVTESA-N 2 0 372.469 0.314 10 0 FCAERP CC(C)C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)NCC[NH+](C)C ZINC000654662174 492336106 /nfs/dbraw/zinc/33/61/06/492336106.db2.gz FFRMEJWQAUFYAU-XHSDSOJGSA-N 2 0 355.527 0.718 10 0 FCAERP CC[NH+]1CCN(CC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)CC1 ZINC000620916452 492345250 /nfs/dbraw/zinc/34/52/50/492345250.db2.gz WIWIEJIDUAODLW-QGZVFWFLSA-N 2 0 352.523 0.726 10 0 FCAERP O[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC1(O)CCOCC1 ZINC000634710682 492361744 /nfs/dbraw/zinc/36/17/44/492361744.db2.gz CFFOOUNANWHNCN-RTBURBONSA-N 2 0 364.486 0.635 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1=O ZINC000634746006 492365995 /nfs/dbraw/zinc/36/59/95/492365995.db2.gz BJSHXWJJWUFQJX-SMOSDQRPSA-N 2 0 362.518 0.777 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC(C)(C)CC[C@H]2CO)C1 ZINC000621377154 492380291 /nfs/dbraw/zinc/38/02/91/492380291.db2.gz QTOIOCQVMGYSSJ-DLBZAZTESA-N 2 0 355.523 0.942 10 0 FCAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000642960214 492407297 /nfs/dbraw/zinc/40/72/97/492407297.db2.gz VXTGFIVSQUAHKD-YJBOKZPZSA-N 2 0 358.486 0.963 10 0 FCAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)CC2 ZINC000642959820 492407440 /nfs/dbraw/zinc/40/74/40/492407440.db2.gz BQCNAZNHHJXZDF-XUWVNRHRSA-N 2 0 366.506 0.689 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000648152967 492410062 /nfs/dbraw/zinc/41/00/62/492410062.db2.gz TWAZAMDEVZXFIX-AWEZNQCLSA-N 2 0 351.520 0.886 10 0 FCAERP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000642980401 492410251 /nfs/dbraw/zinc/41/02/51/492410251.db2.gz CKFGRILIJSLXIR-MSOLQXFVSA-N 2 0 358.486 0.978 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621837142 492420788 /nfs/dbraw/zinc/42/07/88/492420788.db2.gz AAGVNCMZGJTBGQ-FUHIMQAGSA-N 2 0 358.486 0.615 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)[C@@H]1c1ccccc1 ZINC000621837547 492421382 /nfs/dbraw/zinc/42/13/82/492421382.db2.gz KMWXNRPHBCFSCZ-BOSXTWCSSA-N 2 0 356.470 0.888 10 0 FCAERP CC(=O)N1CCN(CCNC(=O)C[C@@H](n2ccnc2)C(F)(F)F)CC1 ZINC000635295131 492431646 /nfs/dbraw/zinc/43/16/46/492431646.db2.gz MZANQMVRSWRHSO-CYBMUJFWSA-N 2 0 361.368 0.657 10 0 FCAERP C[C@H]1CCC[C@](CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)([NH+](C)C)C1 ZINC000643470060 492471309 /nfs/dbraw/zinc/47/13/09/492471309.db2.gz QDKVZOGKEPDFMR-KXBFYZLASA-N 2 0 350.507 0.968 10 0 FCAERP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)[C@@H]1c1ccccc1 ZINC000643469972 492471334 /nfs/dbraw/zinc/47/13/34/492471334.db2.gz APAHBAQXCJGZEP-SJORKVTESA-N 2 0 356.470 0.903 10 0 FCAERP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)([NH+](C)C)C1 ZINC000643470057 492471353 /nfs/dbraw/zinc/47/13/53/492471353.db2.gz QDKVZOGKEPDFMR-BEFAXECRSA-N 2 0 350.507 0.968 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000628216418 492481664 /nfs/dbraw/zinc/48/16/64/492481664.db2.gz NFOUSHONZHQPFE-BRWVUGGUSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000643504751 492483749 /nfs/dbraw/zinc/48/37/49/492483749.db2.gz MAAPWWVVQTUDSZ-ARFHVFGLSA-N 2 0 352.479 0.038 10 0 FCAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)CC2 ZINC000643525922 492490827 /nfs/dbraw/zinc/49/08/27/492490827.db2.gz IPCLAROLADQRMO-FZKCQIBNSA-N 2 0 352.479 0.035 10 0 FCAERP [NH3+]C[C@@H](NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000655929245 492491235 /nfs/dbraw/zinc/49/12/35/492491235.db2.gz YSXWEKFMBDFBHL-ZIAGYGMSSA-N 2 0 360.380 0.594 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000649076093 492492405 /nfs/dbraw/zinc/49/24/05/492492405.db2.gz PWPHKEYSJKKZQF-OXQOHEQNSA-N 2 0 374.485 0.202 10 0 FCAERP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655954763 492496720 /nfs/dbraw/zinc/49/67/20/492496720.db2.gz NTAHXCWSMLUZSG-MELADBBJSA-N 2 0 360.458 0.842 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000656039859 492522468 /nfs/dbraw/zinc/52/24/68/492522468.db2.gz JLPIDMNVOKDBSK-ORQFMDKSSA-N 2 0 366.506 0.188 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000623465722 492556964 /nfs/dbraw/zinc/55/69/64/492556964.db2.gz BPRMOHMLOMTKKD-UHFFFAOYSA-N 2 0 368.522 0.995 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCCCCC1 ZINC000656284988 492569393 /nfs/dbraw/zinc/56/93/93/492569393.db2.gz CTBGQNNGQLRTRQ-JKSUJKDBSA-N 2 0 366.506 0.035 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000656287006 492570644 /nfs/dbraw/zinc/57/06/44/492570644.db2.gz RVFUSOSZNWHKAO-FGTMMUONSA-N 2 0 360.502 0.732 10 0 FCAERP C[N@H+](CCCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CCCCC1 ZINC000656296701 492574722 /nfs/dbraw/zinc/57/47/22/492574722.db2.gz XMFBIFRVSIVVEJ-DLBZAZTESA-N 2 0 366.506 0.035 10 0 FCAERP COC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2COC)cc1 ZINC000649743422 492577059 /nfs/dbraw/zinc/57/70/59/492577059.db2.gz ROESNYSMDAYPRL-VNTMZGSJSA-N 2 0 364.486 0.850 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC([C@H](C)CO)CC2)C1 ZINC000649804800 492583894 /nfs/dbraw/zinc/58/38/94/492583894.db2.gz INQRQQZQPVWDMG-SJLPKXTDSA-N 2 0 355.523 0.800 10 0 FCAERP CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCCCO1 ZINC000656349257 492606997 /nfs/dbraw/zinc/60/69/97/492606997.db2.gz BBFGSTMHJSQCJK-JKSUJKDBSA-N 2 0 356.511 0.402 10 0 FCAERP C[NH+]1CCC[C@H](NC(=O)c2ccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)cn2)C1 ZINC000643974691 492618298 /nfs/dbraw/zinc/61/82/98/492618298.db2.gz KEMQMIJBKKXFFQ-HOTGVXAUSA-N 2 0 359.474 0.730 10 0 FCAERP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000656790551 492649547 /nfs/dbraw/zinc/64/95/47/492649547.db2.gz YYLHUDAUSMEJSH-SNRMKQJTSA-N 2 0 360.502 0.928 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000629584985 492657792 /nfs/dbraw/zinc/65/77/92/492657792.db2.gz ILHGDLAOJPGXRN-YTQUADARSA-N 2 0 352.523 0.391 10 0 FCAERP Cc1cc(C(N)=O)cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000656893066 492661241 /nfs/dbraw/zinc/66/12/41/492661241.db2.gz AMWNOYNORWJJFS-UHFFFAOYSA-N 2 0 356.492 0.208 10 0 FCAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650730201 492664850 /nfs/dbraw/zinc/66/48/50/492664850.db2.gz PORHSIMEEBGKLK-INIZCTEOSA-N 2 0 367.538 0.912 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000629801868 492678932 /nfs/dbraw/zinc/67/89/32/492678932.db2.gz CPDBKCQBNFTZBV-NVXWUHKLSA-N 2 0 366.506 0.156 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000629801870 492679203 /nfs/dbraw/zinc/67/92/03/492679203.db2.gz CPDBKCQBNFTZBV-WBVHZDCISA-N 2 0 366.506 0.156 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000650878935 492679590 /nfs/dbraw/zinc/67/95/90/492679590.db2.gz FEUXNASLVZZEBD-SFHVURJKSA-N 2 0 369.554 0.670 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)C2 ZINC000629805351 492681341 /nfs/dbraw/zinc/68/13/41/492681341.db2.gz YIWWYDXCFQZRJG-JKMAKKBCSA-N 2 0 374.529 0.920 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000629806340 492682018 /nfs/dbraw/zinc/68/20/18/492682018.db2.gz WEPUPGMEZYOTSO-UHFFFAOYSA-N 2 0 352.479 0.040 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000629808689 492682812 /nfs/dbraw/zinc/68/28/12/492682812.db2.gz IVZIHEVHWATRHK-HZPDHXFCSA-N 2 0 366.506 0.286 10 0 FCAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000629816378 492687508 /nfs/dbraw/zinc/68/75/08/492687508.db2.gz GKTVLIJTVXILJT-JKSUJKDBSA-N 2 0 366.506 0.286 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650980789 492690807 /nfs/dbraw/zinc/69/08/07/492690807.db2.gz XEFMNDOYOCRYAZ-KRWDZBQOSA-N 2 0 367.538 0.770 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1=O ZINC000651062751 492702252 /nfs/dbraw/zinc/70/22/52/492702252.db2.gz GMAIUZLFNGPHBI-INIZCTEOSA-N 2 0 351.495 0.419 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1c(Cl)cnn1C ZINC000657071306 492709364 /nfs/dbraw/zinc/70/93/64/492709364.db2.gz JHCAZODQCFVEOX-NSHDSACASA-N 2 0 351.904 0.624 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000644513663 492780862 /nfs/dbraw/zinc/78/08/62/492780862.db2.gz JQWUKKCNKHWONX-FQEVSTJZSA-N 2 0 362.518 0.217 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC000644584388 492789268 /nfs/dbraw/zinc/78/92/68/492789268.db2.gz VQXRGHPIPOWXCI-MRXNPFEDSA-N 2 0 366.472 0.849 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(F)F)nc1 ZINC000657839409 492801465 /nfs/dbraw/zinc/80/14/65/492801465.db2.gz UPDGGLYKFYDDFU-UHFFFAOYSA-N 2 0 357.405 0.910 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCc1cn2ccccc2n1 ZINC000645127736 492869885 /nfs/dbraw/zinc/86/98/85/492869885.db2.gz JUDJCODSVZNVCG-CQSZACIVSA-N 2 0 358.446 0.638 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000645173337 492874941 /nfs/dbraw/zinc/87/49/41/492874941.db2.gz BBDBMOKYJXBPFP-INIZCTEOSA-N 2 0 361.490 0.880 10 0 FCAERP CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631911922 492878378 /nfs/dbraw/zinc/87/83/78/492878378.db2.gz AUKVHDYURQBBED-QGZVFWFLSA-N 2 0 355.504 0.935 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000631927523 492889028 /nfs/dbraw/zinc/88/90/28/492889028.db2.gz ASZOUMQOSLRFQM-QGZVFWFLSA-N 2 0 359.536 0.893 10 0 FCAERP O=S(=O)(CCC[NH+]1CCCC1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000631944153 492893695 /nfs/dbraw/zinc/89/36/95/492893695.db2.gz PMOWTQJCEOXZKW-UHFFFAOYSA-N 2 0 358.552 0.608 10 0 FCAERP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658461021 492903765 /nfs/dbraw/zinc/90/37/65/492903765.db2.gz TYGCJDPZXVEUKA-GOSISDBHSA-N 2 0 358.486 0.739 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000658525798 492927692 /nfs/dbraw/zinc/92/76/92/492927692.db2.gz JEJRZZMUIUMNFW-IAGOWNOFSA-N 2 0 366.506 0.252 10 0 FCAERP CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632104585 492930478 /nfs/dbraw/zinc/93/04/78/492930478.db2.gz JUFGBTRKJYOBNO-ROUUACIJSA-N 2 0 367.515 0.853 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)CC3C[NH+](C)C3)c2)CC1 ZINC000658540322 492937707 /nfs/dbraw/zinc/93/77/07/492937707.db2.gz OZRJKQNZCWZKGK-UHFFFAOYSA-N 2 0 373.501 0.787 10 0 FCAERP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC000645695065 492961654 /nfs/dbraw/zinc/96/16/54/492961654.db2.gz CNEJRIOMWOJZCM-SFHVURJKSA-N 2 0 354.414 0.760 10 0 FCAERP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000652623007 492972002 /nfs/dbraw/zinc/97/20/02/492972002.db2.gz ZIXSMUDYFKWOLN-CYBMUJFWSA-N 2 0 358.446 0.719 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658612387 492980027 /nfs/dbraw/zinc/98/00/27/492980027.db2.gz HEWCKDNFMJAMGD-IKGGRYGDSA-N 2 0 368.522 0.354 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2CC)C[C@H]1C[NH3+] ZINC000652674836 492985873 /nfs/dbraw/zinc/98/58/73/492985873.db2.gz HEJXODQXVIWQAM-BZUAXINKSA-N 2 0 354.495 0.189 10 0 FCAERP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000652679337 492987333 /nfs/dbraw/zinc/98/73/33/492987333.db2.gz CXVIEXDVLRNDBP-UHFFFAOYSA-N 2 0 368.522 0.594 10 0 FCAERP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)C2)CC1 ZINC000645978177 492995165 /nfs/dbraw/zinc/99/51/65/492995165.db2.gz WCIRWUNJDPNZBT-UJAMICLKSA-N 2 0 364.534 0.804 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)c1cccc(F)c1 ZINC000652713521 492998650 /nfs/dbraw/zinc/99/86/50/492998650.db2.gz QQOBMYGQVGICPV-HNNXBMFYSA-N 2 0 350.438 0.790 10 0 FCAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009387 493000058 /nfs/dbraw/zinc/00/00/58/493000058.db2.gz GFSFQSDLJPTQMS-KZNAEPCWSA-N 2 0 352.523 0.807 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000652718904 493001480 /nfs/dbraw/zinc/00/14/80/493001480.db2.gz PCDFOWQEYSORER-INIZCTEOSA-N 2 0 358.486 0.967 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1=O ZINC000652735984 493012145 /nfs/dbraw/zinc/01/21/45/493012145.db2.gz ZGNKQOSRKBWSDV-GOSISDBHSA-N 2 0 373.501 0.526 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626809095 493023373 /nfs/dbraw/zinc/02/33/73/493023373.db2.gz BYDYGUMUVMMNEP-MLGOLLRUSA-N 2 0 358.442 0.706 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000626864594 493041206 /nfs/dbraw/zinc/04/12/06/493041206.db2.gz GCTRFBVOMQCFGH-LSDHHAIUSA-N 2 0 362.478 0.735 10 0 FCAERP CCCN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658773134 493047762 /nfs/dbraw/zinc/04/77/62/493047762.db2.gz XAFLNDDPVANLDM-SJORKVTESA-N 2 0 368.522 0.498 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626890430 493052628 /nfs/dbraw/zinc/05/26/28/493052628.db2.gz LSFGJRKRMREXLA-UONOGXRCSA-N 2 0 362.478 0.735 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)c(C)c2)CC1 ZINC000626909896 493059749 /nfs/dbraw/zinc/05/97/49/493059749.db2.gz XKDLFNVCYFMEGC-MAUKXSAKSA-N 2 0 373.501 0.942 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626938517 493067357 /nfs/dbraw/zinc/06/73/57/493067357.db2.gz GONOSTRWSYZLMO-QGZVFWFLSA-N 2 0 356.511 0.755 10 0 FCAERP CN1CC[N@H+](CCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H](c2ccccc2)C1 ZINC000653125271 493075964 /nfs/dbraw/zinc/07/59/64/493075964.db2.gz VARBOEQAHJZERC-ZJOUEHCJSA-N 2 0 372.513 0.717 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000626994458 493077090 /nfs/dbraw/zinc/07/70/90/493077090.db2.gz FBSFZCHDKYLIBN-DZGCQCFKSA-N 2 0 353.511 0.663 10 0 FCAERP COC[C@]1(CNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000627092900 493087276 /nfs/dbraw/zinc/08/72/76/493087276.db2.gz ZDVOLFMEPVGROY-FUHWJXTLSA-N 2 0 354.495 0.555 10 0 FCAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000627113629 493089472 /nfs/dbraw/zinc/08/94/72/493089472.db2.gz FOUAYRCVNFHQQF-SZMVWBNQSA-N 2 0 362.474 0.818 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)CCOCC[NH3+])cc1 ZINC000627115269 493089825 /nfs/dbraw/zinc/08/98/25/493089825.db2.gz SACWAMQRISLCOC-IRXDYDNUSA-N 2 0 350.463 0.757 10 0 FCAERP C[C@@H]1CN(C[C@H]2CCCN2C(=O)NCC2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000627154424 493097326 /nfs/dbraw/zinc/09/73/26/493097326.db2.gz XRMLVNIJRYALRV-OWCLPIDISA-N 2 0 354.495 0.778 10 0 FCAERP C[NH2+]CCOCCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000627177723 493101901 /nfs/dbraw/zinc/10/19/01/493101901.db2.gz KTITYPUEXDVMQQ-IAGOWNOFSA-N 2 0 355.527 0.422 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cn2)CC1 ZINC000633005636 493102741 /nfs/dbraw/zinc/10/27/41/493102741.db2.gz LWPRPWXBMDJORS-JQFCIGGWSA-N 2 0 374.489 0.674 10 0 FCAERP [NH3+]CCCOCCNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000627214570 493108909 /nfs/dbraw/zinc/10/89/09/493108909.db2.gz RUHPANYWRLHQIU-GOSISDBHSA-N 2 0 350.463 0.288 10 0 FCAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000627226865 493110853 /nfs/dbraw/zinc/11/08/53/493110853.db2.gz SXLRMVJYKSYUTM-OWCLPIDISA-N 2 0 351.495 0.370 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000633106428 493129437 /nfs/dbraw/zinc/12/94/37/493129437.db2.gz JMAVKLXQNZEFQV-INIZCTEOSA-N 2 0 366.506 0.430 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[C@H]1C[NH3+] ZINC000633106449 493129456 /nfs/dbraw/zinc/12/94/56/493129456.db2.gz JWOADENQPQWEKL-QXCFHYIPSA-N 2 0 370.497 0.773 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633110444 493131220 /nfs/dbraw/zinc/13/12/20/493131220.db2.gz VUFSRDZYJXJOLT-MRXNPFEDSA-N 2 0 366.506 0.430 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Cc1ccccc1 ZINC000627292128 493136415 /nfs/dbraw/zinc/13/64/15/493136415.db2.gz MALGQIWGEBWVLJ-UIFIKXQLSA-N 2 0 372.513 0.734 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)[NH+](C)C)c1 ZINC000627292453 493137050 /nfs/dbraw/zinc/13/70/50/493137050.db2.gz VKWHBVNINBLEAZ-IRXDYDNUSA-N 2 0 374.485 0.815 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000627293467 493137517 /nfs/dbraw/zinc/13/75/17/493137517.db2.gz UPPSQRROXBOODR-DZFGPLHGSA-N 2 0 370.497 0.835 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000627293468 493137569 /nfs/dbraw/zinc/13/75/69/493137569.db2.gz UPPSQRROXBOODR-UIFIKXQLSA-N 2 0 370.497 0.835 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)[C@H]3CC[C@H]3C(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000633181298 493138692 /nfs/dbraw/zinc/13/86/92/493138692.db2.gz OBBAPIGXYMWUFJ-CKYTUPMTSA-N 2 0 360.502 0.338 10 0 FCAERP C[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297316 493139335 /nfs/dbraw/zinc/13/93/35/493139335.db2.gz HJFVQGIZHYEHKB-HUUCEWRRSA-N 2 0 354.495 0.237 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[NH2+]1 ZINC000627296986 493139492 /nfs/dbraw/zinc/13/94/92/493139492.db2.gz YYJLEEAYOWWZML-OLMNPRSZSA-N 2 0 374.485 0.126 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297364 493140467 /nfs/dbraw/zinc/14/04/67/493140467.db2.gz IKCOWWDBAJJMQR-CVEARBPZSA-N 2 0 368.522 0.450 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297366 493140574 /nfs/dbraw/zinc/14/05/74/493140574.db2.gz IKCOWWDBAJJMQR-HZPDHXFCSA-N 2 0 368.522 0.450 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000627301760 493142531 /nfs/dbraw/zinc/14/25/31/493142531.db2.gz OBHHYXLYRMHTAN-QAPCUYQASA-N 2 0 356.511 0.308 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CC1 ZINC000659080189 493143288 /nfs/dbraw/zinc/14/32/88/493143288.db2.gz QLSUVEMVVHWFPA-DLBZAZTESA-N 2 0 360.458 0.742 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000627305525 493143382 /nfs/dbraw/zinc/14/33/82/493143382.db2.gz ZUUHDBASQIRRJL-JKSUJKDBSA-N 2 0 350.438 0.760 10 0 FCAERP C[N@H+](CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1)Cc1ccccc1 ZINC000627309159 493144739 /nfs/dbraw/zinc/14/47/39/493144739.db2.gz JLFDHUUSTVSABL-UHFFFAOYSA-N 2 0 362.474 0.249 10 0 FCAERP CCN1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)[C@H](C)C1 ZINC000659083406 493144795 /nfs/dbraw/zinc/14/47/95/493144795.db2.gz MHROCIMQDQKBCG-PBHICJAKSA-N 2 0 360.458 0.839 10 0 FCAERP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)c1 ZINC000627311404 493145478 /nfs/dbraw/zinc/14/54/78/493145478.db2.gz WEMXDSCYFISFFC-UHFFFAOYSA-N 2 0 362.474 0.379 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627311705 493145502 /nfs/dbraw/zinc/14/55/02/493145502.db2.gz FSFNNQKLTIQJPQ-GASCZTMLSA-N 2 0 356.511 0.211 10 0 FCAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627311914 493145639 /nfs/dbraw/zinc/14/56/39/493145639.db2.gz KOEZZLDZWLDZOK-RDJZCZTQSA-N 2 0 362.474 0.420 10 0 FCAERP Cc1ccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c(OCC[NH+](C)C)c1 ZINC000659099550 493152372 /nfs/dbraw/zinc/15/23/72/493152372.db2.gz GOBMMBTVNBHWSL-UHFFFAOYSA-N 2 0 360.458 0.824 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C[NH2+]1 ZINC000627325820 493154857 /nfs/dbraw/zinc/15/48/57/493154857.db2.gz VNPFXXXEFLCMAB-GDBMZVCRSA-N 2 0 362.474 0.500 10 0 FCAERP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000627338787 493161381 /nfs/dbraw/zinc/16/13/81/493161381.db2.gz QKFVYCYQORKXCI-KRWDZBQOSA-N 2 0 374.485 0.644 10 0 FCAERP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000627338922 493161582 /nfs/dbraw/zinc/16/15/82/493161582.db2.gz UJACHJAEGLGTAE-QGZVFWFLSA-N 2 0 374.485 0.644 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCOCC1 ZINC000627357353 493173986 /nfs/dbraw/zinc/17/39/86/493173986.db2.gz DHEBNMMKIWWXOE-UHFFFAOYSA-N 2 0 374.485 0.175 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627357539 493174035 /nfs/dbraw/zinc/17/40/35/493174035.db2.gz IUOOBKXCRSBKEX-GASCZTMLSA-N 2 0 354.495 0.095 10 0 FCAERP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@@H]1CCC[NH+](C)C1)C2 ZINC000672454620 493178509 /nfs/dbraw/zinc/17/85/09/493178509.db2.gz QDNNPOUFGJWDCR-WZYMTQMTSA-N 2 0 351.495 0.463 10 0 FCAERP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@H]1CCC[NH+](C)C1)C2 ZINC000672454619 493178756 /nfs/dbraw/zinc/17/87/56/493178756.db2.gz QDNNPOUFGJWDCR-HNSVSWJLSA-N 2 0 351.495 0.463 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000659450915 493182219 /nfs/dbraw/zinc/18/22/19/493182219.db2.gz IAUDKCZENUGCHV-CQSZACIVSA-N 2 0 353.511 0.759 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[NH2+]1 ZINC000627385440 493193123 /nfs/dbraw/zinc/19/31/23/493193123.db2.gz LDIYOLLCXMUJSS-GJZGRUSLSA-N 2 0 352.479 0.004 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000627401846 493204259 /nfs/dbraw/zinc/20/42/59/493204259.db2.gz KVWHVJCXGPIUBA-UHFFFAOYSA-N 2 0 366.506 0.348 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000627404792 493204725 /nfs/dbraw/zinc/20/47/25/493204725.db2.gz OAOASAJAKLQKMV-LSDHHAIUSA-N 2 0 352.479 0.086 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000627417616 493209056 /nfs/dbraw/zinc/20/90/56/493209056.db2.gz CKGFOJILXFJOAB-JKSUJKDBSA-N 2 0 366.506 0.204 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000627417285 493209107 /nfs/dbraw/zinc/20/91/07/493209107.db2.gz VNDQQXZYTZDSFU-JKSUJKDBSA-N 2 0 366.506 0.204 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000659678722 493247286 /nfs/dbraw/zinc/24/72/86/493247286.db2.gz OZEYDWZQINBOHA-FVQBIDKESA-N 2 0 350.438 0.521 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000659683260 493249825 /nfs/dbraw/zinc/24/98/25/493249825.db2.gz WVYYJFKGXGWICK-UYFTZEKXSA-N 2 0 366.506 0.108 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC000667034608 493252128 /nfs/dbraw/zinc/25/21/28/493252128.db2.gz QBNIVQVDQQDBLJ-INIZCTEOSA-N 2 0 368.526 0.459 10 0 FCAERP CC(C)[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[NH+]1CCC(C)CC1 ZINC000659693888 493256723 /nfs/dbraw/zinc/25/67/23/493256723.db2.gz CVNRXRQNFZAPHH-KOHRHEQBSA-N 2 0 350.507 0.727 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659695342 493257778 /nfs/dbraw/zinc/25/77/78/493257778.db2.gz YUBPVAYEFOVUQB-TYJOOELLSA-N 2 0 370.497 0.963 10 0 FCAERP C[C@@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659696752 493258586 /nfs/dbraw/zinc/25/85/86/493258586.db2.gz MUTZCQQPJHHNHC-XTIMDLJNSA-N 2 0 370.497 0.881 10 0 FCAERP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)C1CC1 ZINC000659699926 493260483 /nfs/dbraw/zinc/26/04/83/493260483.db2.gz XPFISGUDIJLSKX-MRXNPFEDSA-N 2 0 350.507 0.825 10 0 FCAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659698733 493260499 /nfs/dbraw/zinc/26/04/99/493260499.db2.gz JGKKQXOMPZXHNB-VXESANQCSA-N 2 0 356.470 0.493 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659700166 493261144 /nfs/dbraw/zinc/26/11/44/493261144.db2.gz COKGVFBDJDAWRS-DZUCGIPZSA-N 2 0 362.449 0.521 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000672901462 493264243 /nfs/dbraw/zinc/26/42/43/493264243.db2.gz QMHRRYNYCPYQEV-ROUUACIJSA-N 2 0 352.523 0.774 10 0 FCAERP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659715350 493268435 /nfs/dbraw/zinc/26/84/35/493268435.db2.gz PAKQEBDHQGVDHG-DOTOQJQBSA-N 2 0 358.486 0.868 10 0 FCAERP O=C(NCC1C[NH2+]C1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659715144 493268745 /nfs/dbraw/zinc/26/87/45/493268745.db2.gz SGLUZCIAJJXMIO-GOSISDBHSA-N 2 0 370.497 0.741 10 0 FCAERP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659718000 493270273 /nfs/dbraw/zinc/27/02/73/493270273.db2.gz LEFUFXRAOIQAFJ-INIZCTEOSA-N 2 0 354.495 0.093 10 0 FCAERP CN(C(=O)N[C@H]1CCNC1=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000667382126 493280432 /nfs/dbraw/zinc/28/04/32/493280432.db2.gz SBRMLIWDGYJZIP-YESZJQIVSA-N 2 0 365.522 0.854 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659741698 493281429 /nfs/dbraw/zinc/28/14/29/493281429.db2.gz MUDUVVFVRMNNHL-AFJQURTJSA-N 2 0 370.497 0.978 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000659745989 493283110 /nfs/dbraw/zinc/28/31/10/493283110.db2.gz XPEAZBYJGYURIY-UHFFFAOYSA-N 2 0 356.470 0.242 10 0 FCAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000682273232 493284889 /nfs/dbraw/zinc/28/48/89/493284889.db2.gz LNSGSJRDDUGPTM-CQSZACIVSA-N 2 0 350.467 0.374 10 0 FCAERP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000659941621 493305974 /nfs/dbraw/zinc/30/59/74/493305974.db2.gz ALQBQWPYGIBXAL-LJQANCHMSA-N 2 0 355.523 0.944 10 0 FCAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668504170 493366874 /nfs/dbraw/zinc/36/68/74/493366874.db2.gz RHKNDSDYYIIAEQ-RDJZCZTQSA-N 2 0 366.506 0.035 10 0 FCAERP CCN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@H+](CC)C1 ZINC000668526654 493371140 /nfs/dbraw/zinc/37/11/40/493371140.db2.gz LRVPOSKUMACLDX-PBHICJAKSA-N 2 0 356.536 0.483 10 0 FCAERP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000668610253 493383745 /nfs/dbraw/zinc/38/37/45/493383745.db2.gz RCUATLBCLRRKEG-QZTJIDSGSA-N 2 0 360.502 0.876 10 0 FCAERP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000668670371 493393713 /nfs/dbraw/zinc/39/37/13/493393713.db2.gz KPTRIDRIMYERDT-HNNXBMFYSA-N 2 0 368.522 0.450 10 0 FCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668777026 493409204 /nfs/dbraw/zinc/40/92/04/493409204.db2.gz LRYMYNIOECOOIU-HZPDHXFCSA-N 2 0 356.511 0.402 10 0 FCAERP O=C(NCC[N@@H+]1CCCOCC1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000661236666 493420366 /nfs/dbraw/zinc/42/03/66/493420366.db2.gz VWSOHJDBNZTQEY-UHFFFAOYSA-N 2 0 368.522 0.899 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H]2[C@@H](C)CO)C1 ZINC000661431036 493437031 /nfs/dbraw/zinc/43/70/31/493437031.db2.gz BEGBUJNVVIIVAT-RCCFBDPRSA-N 2 0 355.523 0.942 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C(C)(C)C[NH+](C)C ZINC000669144731 493468416 /nfs/dbraw/zinc/46/84/16/493468416.db2.gz UKBNPDSDDSCONM-HOCLYGCPSA-N 2 0 368.522 0.137 10 0 FCAERP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290835 493504035 /nfs/dbraw/zinc/50/40/35/493504035.db2.gz LTJSDRYIAILTDP-GOEBONIOSA-N 2 0 350.507 0.824 10 0 FCAERP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C2([NH2+]C3CC3)CCC2)c1 ZINC000662401766 493512830 /nfs/dbraw/zinc/51/28/30/493512830.db2.gz AHNPNBOZBYZZRP-UHFFFAOYSA-N 2 0 352.460 0.537 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[N@@H+]1C1CC1 ZINC000676099190 493525142 /nfs/dbraw/zinc/52/51/42/493525142.db2.gz LKVCYXBPPUCAOL-CHWSQXEVSA-N 2 0 354.414 0.947 10 0 FCAERP COC1CC[NH+](CCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676099257 493525419 /nfs/dbraw/zinc/52/54/19/493525419.db2.gz NBZNGHIPUZVHKM-UHFFFAOYSA-N 2 0 372.429 0.433 10 0 FCAERP CC[NH+]1CCN(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000676191359 493529272 /nfs/dbraw/zinc/52/92/72/493529272.db2.gz NBMGMEQGMMNXTA-MSOLQXFVSA-N 2 0 352.523 0.508 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662711695 493533868 /nfs/dbraw/zinc/53/38/68/493533868.db2.gz MPJYDLNDKMAJIR-LSDHHAIUSA-N 2 0 350.467 0.433 10 0 FCAERP CCN1CC[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000670012202 493540104 /nfs/dbraw/zinc/54/01/04/493540104.db2.gz MRASGGVPBOPIKH-KRWDZBQOSA-N 2 0 374.489 0.514 10 0 FCAERP [NH3+]CCCn1cc(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)nn1 ZINC000662859744 493547428 /nfs/dbraw/zinc/54/74/28/493547428.db2.gz OAEZNZNTFRANDT-INIZCTEOSA-N 2 0 358.446 0.124 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000662867410 493548180 /nfs/dbraw/zinc/54/81/80/493548180.db2.gz XNFBDVNVKNRWNH-BBWFWOEESA-N 2 0 360.458 0.125 10 0 FCAERP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1=O ZINC000662868066 493548292 /nfs/dbraw/zinc/54/82/92/493548292.db2.gz SPVNZKDJOWDAHZ-RCCFBDPRSA-N 2 0 358.486 0.658 10 0 FCAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662934459 493556237 /nfs/dbraw/zinc/55/62/37/493556237.db2.gz VPQZLPIFLSQIMM-XPQZIERPSA-N 2 0 370.497 0.917 10 0 FCAERP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000662939695 493557227 /nfs/dbraw/zinc/55/72/27/493557227.db2.gz HGZQTVQAXAVESO-UHFFFAOYSA-N 2 0 374.485 0.535 10 0 FCAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662957851 493560920 /nfs/dbraw/zinc/56/09/20/493560920.db2.gz NNBURFSWRPYWNC-HRCADAONSA-N 2 0 354.495 0.141 10 0 FCAERP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670408950 493562714 /nfs/dbraw/zinc/56/27/14/493562714.db2.gz AKAARHNZHJHLOL-FQEVSTJZSA-N 2 0 371.529 0.705 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000662993191 493565551 /nfs/dbraw/zinc/56/55/51/493565551.db2.gz OBTPBZALUIEWHR-LPHOPBHVSA-N 2 0 366.506 0.158 10 0 FCAERP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCC3CCCCC3)C2)CC1 ZINC000670480942 493572578 /nfs/dbraw/zinc/57/25/78/493572578.db2.gz ZXOMQSKTZMPSCN-INIZCTEOSA-N 2 0 350.507 0.968 10 0 FCAERP CCCNC(=O)CN1CCC(NC(=O)N(CC)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000663663907 493611176 /nfs/dbraw/zinc/61/11/76/493611176.db2.gz MFHFKSUAJLXDSE-MRXNPFEDSA-N 2 0 353.511 0.713 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663937997 493626934 /nfs/dbraw/zinc/62/69/34/493626934.db2.gz UVDUJPGDIILIBS-GOSISDBHSA-N 2 0 368.522 0.728 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664065205 493633982 /nfs/dbraw/zinc/63/39/82/493633982.db2.gz IQYGOJCJXHBXBW-DLBZAZTESA-N 2 0 356.511 0.849 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664065206 493634202 /nfs/dbraw/zinc/63/42/02/493634202.db2.gz IQYGOJCJXHBXBW-IAGOWNOFSA-N 2 0 356.511 0.849 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671106898 493635860 /nfs/dbraw/zinc/63/58/60/493635860.db2.gz DXVXHQMCISVJKG-GQGLESIBSA-N 2 0 350.507 0.966 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671376559 493662303 /nfs/dbraw/zinc/66/23/03/493662303.db2.gz GPGROAXODHKCFI-QGZVFWFLSA-N 2 0 350.507 0.825 10 0 FCAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665363164 493711713 /nfs/dbraw/zinc/71/17/13/493711713.db2.gz UHRCKLPADAHSEM-HOTGVXAUSA-N 2 0 365.522 0.807 10 0 FCAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672304782 493751680 /nfs/dbraw/zinc/75/16/80/493751680.db2.gz LPCUMWZGWCAJMM-HLLBOEOZSA-N 2 0 350.507 0.966 10 0 FCAERP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000666130896 493759355 /nfs/dbraw/zinc/75/93/55/493759355.db2.gz JOCIPIMOCNVOIV-MSOLQXFVSA-N 2 0 351.491 0.241 10 0 FCAERP CC[NH+](CC)CC1CC[NH+](CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000409448529 528095406 /nfs/dbraw/zinc/09/54/06/528095406.db2.gz SLCYGMVXMMRRQT-UHFFFAOYSA-N 2 0 357.524 0.752 10 0 FCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000263238829 529038249 /nfs/dbraw/zinc/03/82/49/529038249.db2.gz KKUXLDQFMYXDHL-KRWDZBQOSA-N 2 0 367.538 0.152 10 0 FCAERP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000419975701 535068290 /nfs/dbraw/zinc/06/82/90/535068290.db2.gz LORBSDCXLCWVGY-MRXNPFEDSA-N 2 0 367.538 0.152 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C[C@H]2[C@@H](C)O)C1 ZINC000443339274 535118991 /nfs/dbraw/zinc/11/89/91/535118991.db2.gz BYIZDYNABSQCBK-MLHJIOFPSA-N 2 0 355.523 0.941 10 0 FCAERP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000419556389 535462959 /nfs/dbraw/zinc/46/29/59/535462959.db2.gz IWOGUEPOBZABFZ-UKRRQHHQSA-N 2 0 352.504 0.973 10 0 FCAERP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccco1 ZINC000418933531 535669451 /nfs/dbraw/zinc/66/94/51/535669451.db2.gz AYAINWHQRXYVFY-RRFJBIMHSA-N 2 0 350.463 0.893 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)c2)CC1 ZINC000415650152 535750372 /nfs/dbraw/zinc/75/03/72/535750372.db2.gz FIBCMWMWAPIUQM-MAUKXSAKSA-N 2 0 373.501 0.881 10 0 FCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419930161 535867031 /nfs/dbraw/zinc/86/70/31/535867031.db2.gz NSQLCEYFBUNTNE-QGZVFWFLSA-N 2 0 358.442 0.986 10 0 FCAERP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CCC[N@H+](CCCO)C3)ccn2)CC1 ZINC000452795449 536418486 /nfs/dbraw/zinc/41/84/86/536418486.db2.gz IYLBDAZQZSBABC-KRWDZBQOSA-N 2 0 361.490 0.410 10 0 FCAERP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3CCC[N@@H+]3CCCO)ccn2)CC1 ZINC000452782997 536419184 /nfs/dbraw/zinc/41/91/84/536419184.db2.gz LLBWIEUZHIKLGB-KRWDZBQOSA-N 2 0 361.490 0.410 10 0 FCAERP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000419752986 536747469 /nfs/dbraw/zinc/74/74/69/536747469.db2.gz NAMOYLHAHUUSEA-DZGCQCFKSA-N 2 0 354.495 0.106 10 0 FCAERP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)C[NH+]1CCCC1 ZINC000125960904 546544163 /nfs/dbraw/zinc/54/41/63/546544163.db2.gz REMZVHMWVNVCSJ-AWEZNQCLSA-N 2 0 350.467 0.231 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000590853755 546593411 /nfs/dbraw/zinc/59/34/11/546593411.db2.gz KYRMZQSEPKYBGK-SJORKVTESA-N 2 0 354.495 0.339 10 0 FCAERP CON(C)C(=O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000091633518 663563761 /nfs/dbraw/zinc/56/37/61/663563761.db2.gz FNNPMKQYTISSQZ-UHFFFAOYSA-N 2 0 354.495 0.710 10 0 FCAERP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000895991342 665066256 /nfs/dbraw/zinc/06/62/56/665066256.db2.gz PNQMNRHARLCHKS-GOSISDBHSA-N 2 0 351.491 0.668 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896043433 665068517 /nfs/dbraw/zinc/06/85/17/665068517.db2.gz OZHFSQRXWNQPCL-ZWKOTPCHSA-N 3 0 352.523 0.582 10 0 FCAERP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000925154010 665172288 /nfs/dbraw/zinc/17/22/88/665172288.db2.gz NRRBQUMRSBXYCB-ZACQAIPSSA-N 2 0 368.547 0.930 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925154748 665173406 /nfs/dbraw/zinc/17/34/06/665173406.db2.gz ZRUMMVZSTSYSLZ-HZPDHXFCSA-N 3 0 357.568 0.701 10 0 FCAERP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)CC[N@H+](C)C1 ZINC000925166279 665176384 /nfs/dbraw/zinc/17/63/84/665176384.db2.gz ACMJTOICMFYISN-RBSFLKMASA-N 2 0 370.519 0.312 10 0 FCAERP CCN1CC[C@H]1CNC(=O)C(=O)NCCN1CCc2sccc2C1 ZINC000897536389 665312514 /nfs/dbraw/zinc/31/25/14/665312514.db2.gz UKRCITTVXFUIKY-AWEZNQCLSA-N 2 0 350.488 0.433 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1noc2c1CCCC2 ZINC000914059807 666687418 /nfs/dbraw/zinc/68/74/18/666687418.db2.gz QYHHYFPXVAZXEE-UHFFFAOYSA-N 2 0 358.508 0.808 10 0 FCAERP COC(=O)C1CCC(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000914059928 666687474 /nfs/dbraw/zinc/68/74/74/666687474.db2.gz WHPXEDNBKGDHTE-UHFFFAOYSA-N 2 0 363.524 0.473 10 0 FCAERP C[N@@H+]1CCN(CCNS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)CC1(C)C ZINC000915225432 666827700 /nfs/dbraw/zinc/82/77/00/666827700.db2.gz LUUJYZMUPKMODL-KRWDZBQOSA-N 2 0 358.552 0.418 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923599439 667226235 /nfs/dbraw/zinc/22/62/35/667226235.db2.gz VIDNEKWDNTZJKQ-HNNXBMFYSA-N 2 0 353.492 0.005 10 0 FCAERP C[N@H+](CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)CCOCCO ZINC000922113192 667588617 /nfs/dbraw/zinc/58/86/17/667588617.db2.gz LFIDFWNVPFBXCM-INIZCTEOSA-N 2 0 359.536 0.261 10 0 FCAERP C[C@@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000923376288 667829067 /nfs/dbraw/zinc/82/90/67/667829067.db2.gz KNVOZEWGEBVBMF-HIFRSBDPSA-N 2 0 353.488 0.966 10 0 FCAERP C[C@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000923376290 667829164 /nfs/dbraw/zinc/82/91/64/667829164.db2.gz KNVOZEWGEBVBMF-ZFWWWQNUSA-N 2 0 353.488 0.966 10 0 FCAERP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000923406737 667832418 /nfs/dbraw/zinc/83/24/18/667832418.db2.gz ZURRQURBYWTPBW-ILXRZTDVSA-N 2 0 369.535 0.205 10 0 FCAERP C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000923588582 667852628 /nfs/dbraw/zinc/85/26/28/667852628.db2.gz GQRBHAKZIMLVMY-GOSISDBHSA-N 2 0 366.531 0.605 10 0 FCAERP Cn1ncc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C1CC1 ZINC000784387463 668654190 /nfs/dbraw/zinc/65/41/90/668654190.db2.gz ACIUNZSHZQBZKE-UHFFFAOYSA-N 2 0 350.467 0.188 10 0 FCAERP COC(=O)c1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)ccc1OC ZINC000818949772 668964576 /nfs/dbraw/zinc/96/45/76/668964576.db2.gz MVTZDIZKNNYXKX-OAHLLOKOSA-N 2 0 351.447 0.180 10 0 FCAERP C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(F)cn2)(N2CCOCC2)CC1 ZINC000819366207 668999598 /nfs/dbraw/zinc/99/95/98/668999598.db2.gz LBFVIZANAHIKGG-KRWDZBQOSA-N 2 0 352.454 0.640 10 0 FCAERP CC(C)(C)OC(=O)N1CCN(C(=O)CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000795865944 669066512 /nfs/dbraw/zinc/06/65/12/669066512.db2.gz GZXTVIFUZJYRFW-HUUCEWRRSA-N 2 0 352.479 0.607 10 0 FCAERP COC(=O)[C@H]1CN(CC[NH+]2CCCC2)[C@H](C)CN1CC[NH+]1CCCC1 ZINC000831883738 669872173 /nfs/dbraw/zinc/87/21/73/669872173.db2.gz CVUCPUZWRRUBFM-QZTJIDSGSA-N 2 0 352.523 0.726 10 0 FCAERP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841851360 670614867 /nfs/dbraw/zinc/61/48/67/670614867.db2.gz PIHBOHGEMLDDMK-CHWSQXEVSA-N 2 0 354.838 0.797 10 0 FCAERP CN(C(=O)N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000842006122 670624980 /nfs/dbraw/zinc/62/49/80/670624980.db2.gz VNGWZFGHHGGIHD-CABCVRRESA-N 2 0 359.465 0.794 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000846212748 671090785 /nfs/dbraw/zinc/09/07/85/671090785.db2.gz FPWSQQDJPWYKQV-ILXRZTDVSA-N 2 0 354.495 0.994 10 0 FCAERP C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H]1C ZINC000867426814 671117388 /nfs/dbraw/zinc/11/73/88/671117388.db2.gz GAIWCTAIEXLWMQ-YYIAUSFCSA-N 2 0 352.523 0.831 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCS1 ZINC000867438396 671147189 /nfs/dbraw/zinc/14/71/89/671147189.db2.gz DFTGHVKRMCOSIP-RBSFLKMASA-N 2 0 356.536 0.148 10 0 FCAERP CSCCCN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867439280 671149705 /nfs/dbraw/zinc/14/97/05/671149705.db2.gz YGYSJWRXIXBBKU-HUUCEWRRSA-N 2 0 358.552 0.396 10 0 FCAERP CS[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C[C@@H]1[NH+](C)C ZINC000849569404 671352874 /nfs/dbraw/zinc/35/28/74/671352874.db2.gz SZBVMOOGCBSVAE-LTIDMASMSA-N 2 0 365.547 0.959 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2=NO[C@H](C[NH3+])C2)cc1F ZINC000852906366 671530548 /nfs/dbraw/zinc/53/05/48/671530548.db2.gz BRDZINLQRJSIHY-HUBLWGQQSA-N 2 0 350.394 0.500 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903513550 675936410 /nfs/dbraw/zinc/93/64/10/675936410.db2.gz CUPOPDDBWRBKNN-MGPQQGTHSA-N 2 0 366.428 0.281 10 0 FCAERP CCn1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)nc1C ZINC000903562771 675945243 /nfs/dbraw/zinc/94/52/43/675945243.db2.gz STLYJYDFSZEPRS-IYBDPMFKSA-N 2 0 367.519 0.801 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C[C@H]1C(F)(F)F ZINC000903727240 675964378 /nfs/dbraw/zinc/96/43/78/675964378.db2.gz WRWGXQFEQWTZET-JHJVBQTASA-N 2 0 362.396 0.421 10 0 FCAERP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903732185 675965011 /nfs/dbraw/zinc/96/50/11/675965011.db2.gz QIWRAPQPGRDVQK-CHWSQXEVSA-N 2 0 364.412 0.667 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC[C@H]1C(F)(F)F ZINC000903736681 675965556 /nfs/dbraw/zinc/96/55/56/675965556.db2.gz YTXSHFQZNKKCBQ-YNEHKIRRSA-N 2 0 362.396 0.421 10 0 FCAERP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903744019 675966470 /nfs/dbraw/zinc/96/64/70/675966470.db2.gz YARYCGGJMSAJFV-STQMWFEESA-N 2 0 364.412 0.669 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903766776 675970659 /nfs/dbraw/zinc/97/06/59/675970659.db2.gz HHHVDEIXRFCEKD-SDDRHHMPSA-N 2 0 350.385 0.277 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000903775502 675972175 /nfs/dbraw/zinc/97/21/75/675972175.db2.gz FNCADUFCDSBCQV-VOAKCMCISA-N 2 0 362.396 0.277 10 0 FCAERP FC(F)(F)[C@H](C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000903918547 675982406 /nfs/dbraw/zinc/98/24/06/675982406.db2.gz BDPMGOLQZOCFKL-JSGCOSHPSA-N 3 0 361.416 0.128 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C2CCC1(C[NH3+])CC2 ZINC000866794514 672306862 /nfs/dbraw/zinc/30/68/62/672306862.db2.gz NTYCTHYDHRSOJC-UHFFFAOYSA-N 2 0 355.508 0.706 10 0 FCAERP C[C@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1CN(C)CCO1 ZINC000866800011 672307904 /nfs/dbraw/zinc/30/79/04/672307904.db2.gz KWSJUECJIWDXKT-IHRRRGAJSA-N 2 0 358.483 0.277 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000866812125 672310414 /nfs/dbraw/zinc/31/04/14/672310414.db2.gz CCWVTFMJICMFTJ-LBPRGKRZSA-N 2 0 357.524 0.728 10 0 FCAERP Cc1ccc(N)cc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867589271 672343157 /nfs/dbraw/zinc/34/31/57/672343157.db2.gz FLBMEHPKCDZNDU-HUUCEWRRSA-N 2 0 354.520 0.937 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867808764 672370247 /nfs/dbraw/zinc/37/02/47/672370247.db2.gz OOUOJXYIKXXYMM-JKSUJKDBSA-N 2 0 369.535 0.776 10 0 FCAERP C[C@@H]([NH2+]C1(CNS(=O)(=O)C2C[NH2+]C2)CCOCC1)c1ccccc1 ZINC000923611640 672436943 /nfs/dbraw/zinc/43/69/43/672436943.db2.gz VTDYLOSWFXWFEL-CQSZACIVSA-N 2 0 353.488 0.778 10 0 FCAERP CC[NH+]1CCN(CCC(=O)N(CCOC)CC2CC[NH+](C)CC2)CC1 ZINC000869766878 672449302 /nfs/dbraw/zinc/44/93/02/672449302.db2.gz ZWELXVDEOPVLNB-UHFFFAOYSA-N 2 0 354.539 0.831 10 0 FCAERP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000869780581 672450929 /nfs/dbraw/zinc/45/09/29/672450929.db2.gz LCOLMTOTXVEHKI-INIZCTEOSA-N 2 0 353.507 0.983 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1C[NH+](C)C ZINC000870021108 672461657 /nfs/dbraw/zinc/46/16/57/672461657.db2.gz AHEDMOGCMGBAOE-VXGBXAGGSA-N 2 0 352.401 0.253 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C[C@H]1C[NH+](C)C ZINC000870017327 672461765 /nfs/dbraw/zinc/46/17/65/672461765.db2.gz KBSBHTIHBBZAAE-ZIAGYGMSSA-N 2 0 351.499 0.168 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2COCCN2CC(F)F)C[C@H]1C[NH+](C)C ZINC000870019922 672461769 /nfs/dbraw/zinc/46/17/69/672461769.db2.gz VWDPNGOZOBWJJG-RBSFLKMASA-N 2 0 362.465 0.150 10 0 FCAERP CC(=O)N[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CCCC1 ZINC000870024884 672462409 /nfs/dbraw/zinc/46/24/09/672462409.db2.gz VWWHQCUBFFNPGC-KZNAEPCWSA-N 2 0 352.523 0.879 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)C[C@H]1C[NH+](C)C ZINC000870024154 672462453 /nfs/dbraw/zinc/46/24/53/672462453.db2.gz VROFOPRFQDXPCV-ADAWSYLGSA-N 2 0 368.547 0.638 10 0 FCAERP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000872187623 672597332 /nfs/dbraw/zinc/59/73/32/672597332.db2.gz XPCFKSXIFVENOE-RYUDHWBXSA-N 2 0 350.385 0.136 10 0 FCAERP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872189541 672598643 /nfs/dbraw/zinc/59/86/43/672598643.db2.gz HPSDJSRQQXCAEQ-CHWSQXEVSA-N 2 0 364.412 0.382 10 0 FCAERP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872192636 672601097 /nfs/dbraw/zinc/60/10/97/672601097.db2.gz YLCPNRQKIZVWOF-NWDGAFQWSA-N 2 0 352.401 0.382 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000872192799 672601127 /nfs/dbraw/zinc/60/11/27/672601127.db2.gz KYORQNCYZYUSHC-FRRDWIJNSA-N 2 0 364.412 0.523 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@@H]1C(F)(F)F ZINC000872193906 672601922 /nfs/dbraw/zinc/60/19/22/672601922.db2.gz DBCYBRYKQWREBC-AGIUHOORSA-N 2 0 360.380 0.055 10 0 FCAERP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872195980 672603534 /nfs/dbraw/zinc/60/35/34/672603534.db2.gz NSCDHTGLOYRNAL-CHWSQXEVSA-N 2 0 364.412 0.526 10 0 FCAERP [NH3+][C@@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(Cl)c1 ZINC000872308980 672612061 /nfs/dbraw/zinc/61/20/61/672612061.db2.gz OYFPFFUUKVBCBH-APIJFGDWSA-N 2 0 364.833 0.733 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCCCC(=O)NC2CC2)C[C@H]1C[NH+](C)C ZINC000875095232 672830968 /nfs/dbraw/zinc/83/09/68/672830968.db2.gz GREJLKRBJMFOSS-HUUCEWRRSA-N 2 0 353.511 0.426 10 0 FCAERP CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H]1OC ZINC000875510256 672889073 /nfs/dbraw/zinc/88/90/73/672889073.db2.gz SFPGWYTUTKIGHB-UUAJXVIYSA-N 2 0 356.511 0.560 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCCC2(O)CCOCC2)C[C@H]1C[NH+](C)C ZINC000875574564 672894456 /nfs/dbraw/zinc/89/44/56/672894456.db2.gz HUBBCUKPSSEPIX-HZPDHXFCSA-N 2 0 356.511 0.299 10 0 FCAERP CO[C@H]1COCC[C@@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875638366 672901014 /nfs/dbraw/zinc/90/10/14/672901014.db2.gz ZKMVFPLBXFGONC-VQHPVUNQSA-N 2 0 356.511 0.419 10 0 FCAERP O=C1O[C@H](CNS(=O)(=O)CCC[NH+]2CCCC2)CC12CC[NH2+]CC2 ZINC000923685185 673460736 /nfs/dbraw/zinc/46/07/36/673460736.db2.gz TXQYVWCIAJKSRE-AWEZNQCLSA-N 2 0 359.492 0.077 10 0 FCAERP CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925488677 673793046 /nfs/dbraw/zinc/79/30/46/673793046.db2.gz FACOEQFNFCTFRS-SJORKVTESA-N 2 0 358.552 0.322 10 0 FCAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC000925804973 673804800 /nfs/dbraw/zinc/80/48/00/673804800.db2.gz ONZOGVNOFPODEZ-RRQGHBQHSA-N 2 0 355.504 0.920 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926301145 673820994 /nfs/dbraw/zinc/82/09/94/673820994.db2.gz YGOCUHLAEMWQJV-HZPDHXFCSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC[C@H]1C[NH3+] ZINC000926314264 673821751 /nfs/dbraw/zinc/82/17/51/673821751.db2.gz JTZBUJYIKKGGRX-IKGGRYGDSA-N 2 0 350.507 0.907 10 0 FCAERP CCO[C@@H](CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)C[NH+](C)C ZINC000926849180 673845745 /nfs/dbraw/zinc/84/57/45/673845745.db2.gz IEINAMSFUSTWCY-KRWDZBQOSA-N 2 0 356.511 0.896 10 0 FCAERP CCO[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)C[NH+](C)C ZINC000926851619 673845753 /nfs/dbraw/zinc/84/57/53/673845753.db2.gz USSVOOKECDQGDN-SJORKVTESA-N 2 0 356.511 0.896 10 0 FCAERP C[C@@H]1[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CC[N@H+](C)[C@H]3C)C2)CC[NH+]1C ZINC000928432187 673910010 /nfs/dbraw/zinc/91/00/10/673910010.db2.gz QECJOEVIVVDYTK-BOFKIOBHSA-N 2 0 350.507 0.820 10 0 FCAERP CC1(C)CC[N@H+](CCNC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000929428597 673955993 /nfs/dbraw/zinc/95/59/93/673955993.db2.gz SROQHEDUAUHPBF-UHFFFAOYSA-N 2 0 354.495 0.063 10 0 FCAERP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000929464127 673957391 /nfs/dbraw/zinc/95/73/91/673957391.db2.gz AVKSXVHPDHTQOI-KRWDZBQOSA-N 2 0 358.552 0.586 10 0 FCAERP C[C@H](CNC(=O)CN1CCC[C@H]([NH+](C)C)C1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000929489259 673959163 /nfs/dbraw/zinc/95/91/63/673959163.db2.gz YZTWUBOQKZRBBH-FGTMMUONSA-N 2 0 353.555 0.543 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000929693884 673972258 /nfs/dbraw/zinc/97/22/58/673972258.db2.gz FZNNNRCNBJICSS-OWCLPIDISA-N 2 0 356.511 0.306 10 0 FCAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000929697186 673972527 /nfs/dbraw/zinc/97/25/27/673972527.db2.gz VJQRVQLQEXPCGC-PASDCYSWSA-N 2 0 350.507 0.633 10 0 FCAERP C[C@@H](CNC(=O)CN1CC[N@H+](C)C(C)(C)C1)N1CC[NH+](C)C(C)(C)C1 ZINC000930312995 674012517 /nfs/dbraw/zinc/01/25/17/674012517.db2.gz VHPUMWRWJQKSJV-INIZCTEOSA-N 2 0 353.555 0.543 10 0 FCAERP C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000900845410 675723337 /nfs/dbraw/zinc/72/33/37/675723337.db2.gz ANWTZEJCNKFYRR-WMZOPIPTSA-N 2 0 353.507 0.983 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1c1cc[nH+]cc1 ZINC000897495938 1192212957 /nfs/dbraw/zinc/21/29/57/1192212957.db2.gz HCBXCTBBFGLPTO-NXHRZFHOSA-N 2 0 371.485 0.862 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CC[NH+](C)C)C[C@H]3C2)CC[N@@H+]1C ZINC001719576698 1168115049 /nfs/dbraw/zinc/11/50/49/1168115049.db2.gz WYVCCJLPKDRCOB-WCXIOVBPSA-N 2 0 350.507 0.585 10 0 FCAERP CC[C@H](CO)[NH+]1CCN(CC[C@H](C)N2CC[NH+]([C@@H](CC)CO)CC2)CC1 ZINC000153627404 1168356786 /nfs/dbraw/zinc/35/67/86/1168356786.db2.gz CYVYIQDQDSAKMD-ZCNNSNEGSA-N 2 0 370.582 0.542 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCNC(=O)NC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001670474613 1169356430 /nfs/dbraw/zinc/35/64/30/1169356430.db2.gz HSUZQMLFJGRZGH-BMFZPTHFSA-N 2 0 367.538 0.909 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@H]1C ZINC001719624879 1170788805 /nfs/dbraw/zinc/78/88/05/1170788805.db2.gz AEUYVPALULHYIR-INMHGKMJSA-N 2 0 361.490 0.891 10 0 FCAERP CC(C)n1nccc1NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266939492 1171048040 /nfs/dbraw/zinc/04/80/40/1171048040.db2.gz JIBOMFJHBXOVSA-RBSFLKMASA-N 2 0 364.494 0.837 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)N(C)CC(F)(F)F)CC[N@@H+]1C ZINC001483008363 1192699056 /nfs/dbraw/zinc/69/90/56/1192699056.db2.gz ITCODCSPUVPHFI-IJWDBEHRSA-N 2 0 364.412 0.609 10 0 FCAERP CCN1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000897578392 1192818741 /nfs/dbraw/zinc/81/87/41/1192818741.db2.gz SFZYIUDMSVLYJW-MOPGFXCFSA-N 2 0 372.513 0.878 10 0 FCAERP CCN1CC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000897919673 1192851350 /nfs/dbraw/zinc/85/13/50/1192851350.db2.gz POIHCZAGOXSPMA-ROUUACIJSA-N 2 0 374.485 0.080 10 0 FCAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000126833192 1179164446 /nfs/dbraw/zinc/16/44/46/1179164446.db2.gz CUXWJANQOBMAOC-INIZCTEOSA-N 2 0 364.494 0.764 10 0 FCAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000126832959 1179164479 /nfs/dbraw/zinc/16/44/79/1179164479.db2.gz CUXWJANQOBMAOC-MRXNPFEDSA-N 2 0 364.494 0.764 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001719685456 1179378698 /nfs/dbraw/zinc/37/86/98/1179378698.db2.gz LZGJCJHDTMGWSY-BEFAXECRSA-N 2 0 350.507 0.729 10 0 FCAERP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001719687614 1179389640 /nfs/dbraw/zinc/38/96/40/1179389640.db2.gz CVWYJLNNAKBFMH-MDZRGWNJSA-N 2 0 352.523 0.974 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)cn1 ZINC000126997990 1179405464 /nfs/dbraw/zinc/40/54/64/1179405464.db2.gz KWMPXWBMHURYRH-UHFFFAOYSA-N 2 0 364.494 0.764 10 0 FCAERP C[NH+](C)CCCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001719689794 1179406265 /nfs/dbraw/zinc/40/62/65/1179406265.db2.gz UOYFWKZWFIVIOL-FUHIMQAGSA-N 2 0 364.534 0.977 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000127239719 1179833890 /nfs/dbraw/zinc/83/38/90/1179833890.db2.gz FAJNFGDTDNNJHB-OAHLLOKOSA-N 2 0 362.478 0.328 10 0 FCAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000127570397 1179941357 /nfs/dbraw/zinc/94/13/57/1179941357.db2.gz OOAWHWMCXREFBG-OAHLLOKOSA-N 2 0 364.494 0.574 10 0 FCAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000128370187 1180105040 /nfs/dbraw/zinc/10/50/40/1180105040.db2.gz UVDXQGXNSHVRRU-HNNXBMFYSA-N 2 0 364.494 0.477 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001481526032 1186240359 /nfs/dbraw/zinc/24/03/59/1186240359.db2.gz PWZYQFRACHCPOP-OWCLPIDISA-N 2 0 359.536 0.732 10 0 FCAERP CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001719847360 1186353986 /nfs/dbraw/zinc/35/39/86/1186353986.db2.gz LVUWMWHBCZNWND-NCOADZHNSA-N 2 0 350.507 0.918 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001719847412 1186354821 /nfs/dbraw/zinc/35/48/21/1186354821.db2.gz NSHGITOGSQDLPF-NCOADZHNSA-N 2 0 350.507 0.917 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@](C)(C[NH2+]CC(=O)N2CCC2)C2CC2)CC[N@@H+]1C ZINC001481930217 1187552701 /nfs/dbraw/zinc/55/27/01/1187552701.db2.gz FSUIVOPUNJJVRJ-FRQCXROJSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)Nc2cnccn2)C2CC2)CC[N@@H+]1C ZINC001269071903 1187813661 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362.518 0.921 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000926352460 1211538114 /nfs/dbraw/zinc/53/81/14/1211538114.db2.gz ODGNZSFPCUQMCI-IXDOHACOSA-N 2 0 368.522 0.389 10 0 FCAERP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926358225 1211538770 /nfs/dbraw/zinc/53/87/70/1211538770.db2.gz NRDURUIUXNTPTM-INIZCTEOSA-N 2 0 368.522 0.533 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CCO1 ZINC000926388463 1211543874 /nfs/dbraw/zinc/54/38/74/1211543874.db2.gz RJBZIFBAYGWWAD-LPHOPBHVSA-N 2 0 366.506 0.300 10 0 FCAERP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927631839 1211576083 /nfs/dbraw/zinc/57/60/83/1211576083.db2.gz WAKWSNACMWGWKL-QZTJIDSGSA-N 2 0 366.506 0.792 10 0 FCAERP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000927854960 1211586166 /nfs/dbraw/zinc/58/61/66/1211586166.db2.gz OKPWGUAFRUGYQJ-INIZCTEOSA-N 2 0 359.474 0.573 10 0 FCAERP 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ZINC000900208724 1217971745 /nfs/dbraw/zinc/97/17/45/1217971745.db2.gz CDPSZUATIZKKSJ-XLIONFOSSA-N 2 0 374.485 0.146 10 0 FCAERP C[NH+]1CCC[C@@H](NC(=O)c2cnc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)cn2)C1 ZINC000900589407 1218009896 /nfs/dbraw/zinc/00/98/96/1218009896.db2.gz KDUOKLUCTJIOLU-ZIAGYGMSSA-N 2 0 360.462 0.125 10 0 FCAERP CC(C)[C@](C)(CNC(=O)C12CC[NH+](CC1)C2)NC(=O)C12CC[NH+](CC1)C2 ZINC000900718998 1218029624 /nfs/dbraw/zinc/02/96/24/1218029624.db2.gz VKDMIGQXRKJXBL-SFHVURJKSA-N 2 0 362.518 0.825 10 0 FCAERP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900900507 1218050679 /nfs/dbraw/zinc/05/06/79/1218050679.db2.gz WBHUXYNEKDKSGO-QUCCMNQESA-N 2 0 359.470 0.460 10 0 FCAERP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000900902800 1218052156 /nfs/dbraw/zinc/05/21/56/1218052156.db2.gz ZUOOBWPBOAQSQY-WOJBJXKFSA-N 2 0 361.486 0.586 10 0 FCAERP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@@H]1[NH3+] ZINC000903755733 1218516461 /nfs/dbraw/zinc/51/64/61/1218516461.db2.gz CCKNZMGSIPILEC-KSZLIROESA-N 2 0 370.497 0.773 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000903754830 1218517095 /nfs/dbraw/zinc/51/70/95/1218517095.db2.gz ROTOYVPPTVPCSN-BRWVUGGUSA-N 2 0 368.522 0.389 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C[C@H]1CC[NH3+] ZINC000903777409 1218523166 /nfs/dbraw/zinc/52/31/66/1218523166.db2.gz XDINVFZPXUMBCE-BZUAXINKSA-N 2 0 359.474 0.562 10 0 FCAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cnn1C ZINC000903879083 1218558951 /nfs/dbraw/zinc/55/89/51/1218558951.db2.gz RWHNSTZLDJGGOH-IAGOWNOFSA-N 2 0 363.506 0.417 10 0 FCAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cnn1C ZINC000903879085 1218559469 /nfs/dbraw/zinc/55/94/69/1218559469.db2.gz RWHNSTZLDJGGOH-SJORKVTESA-N 2 0 363.506 0.417 10 0 FCAERP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001491018060 1220070520 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SYTHPWMLDFRBIX-ZACQAIPSSA-N 2 0 368.522 0.212 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1cccc2c1C[NH2+]CC2 ZINC001119037401 1221859458 /nfs/dbraw/zinc/85/94/58/1221859458.db2.gz SFTHAFPFJWIOQG-WFASDCNBSA-N 2 0 358.442 0.408 10 0 FCAERP CC(C)[NH+]1CCC(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC001119068106 1221862471 /nfs/dbraw/zinc/86/24/71/1221862471.db2.gz UODKYFAXSSNQCM-SJORKVTESA-N 2 0 364.490 0.890 10 0 FCAERP C[NH+]1CCN(c2ccccc2CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC001119594316 1221939063 /nfs/dbraw/zinc/93/90/63/1221939063.db2.gz RAOJQKASRSIQFZ-HXUWFJFHSA-N 2 0 360.502 0.901 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001119704053 1221953628 /nfs/dbraw/zinc/95/36/28/1221953628.db2.gz CCRRMQXKHNLROP-CABCVRRESA-N 2 0 359.474 0.610 10 0 FCAERP [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)N1CCC[N@@H+]3CCC[C@H]3C1)CC2 ZINC001119703382 1221953678 /nfs/dbraw/zinc/95/36/78/1221953678.db2.gz PFMNTYJVKXDYDB-JKSUJKDBSA-N 2 0 364.490 0.040 10 0 FCAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001123570948 1222340390 /nfs/dbraw/zinc/34/03/90/1222340390.db2.gz LPVXRVIFBTZTDS-JENIJYKNSA-N 2 0 368.522 0.632 10 0 FCAERP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001123793988 1222358930 /nfs/dbraw/zinc/35/89/30/1222358930.db2.gz HGXVLGMJKSSZHG-BSDSXHPESA-N 3 0 368.570 0.002 10 0 FCAERP Cc1nccn1-c1ccc(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000848931160 1245385995 /nfs/dbraw/zinc/38/59/95/1245385995.db2.gz FZOMUKQOBCEZBO-IYBDPMFKSA-N 2 0 370.457 0.648 10 0 FCAERP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN(CC[NH+](C)C)CC2)cn1 ZINC000849488926 1245396208 /nfs/dbraw/zinc/39/62/08/1245396208.db2.gz PSOABCYDYZGAFN-ROUUACIJSA-N 2 0 362.522 0.161 10 0 FCAERP COCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849518964 1245397434 /nfs/dbraw/zinc/39/74/34/1245397434.db2.gz UDBWTKJEWIIZED-ROUUACIJSA-N 2 0 365.522 0.928 10 0 FCAERP C[C@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@H]([NH3+])c1ccccc1 ZINC000870999320 1245432428 /nfs/dbraw/zinc/43/24/28/1245432428.db2.gz MQOHCDWFELWMGT-WFKFIOEPSA-N 2 0 358.442 0.716 10 0 FCAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000870999748 1245432623 /nfs/dbraw/zinc/43/26/23/1245432623.db2.gz CWIZSILXHITTEC-ZACQAIPSSA-N 2 0 358.442 0.755 10 0 FCAERP c1cc2c(cc1CN1CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC1)OCCO2 ZINC000923320166 1245707583 /nfs/dbraw/zinc/70/75/83/1245707583.db2.gz VOWMFWSYJNWZIX-KRWDZBQOSA-N 2 0 359.470 0.954 10 0 FCAERP COCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923398590 1245714969 /nfs/dbraw/zinc/71/49/69/1245714969.db2.gz LSFIGAMJRPQZBI-CVEARBPZSA-N 2 0 367.494 0.023 10 0 FCAERP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416273 1245717938 /nfs/dbraw/zinc/71/79/38/1245717938.db2.gz VANGQDWGJKIOLX-CUSZFKRNSA-N 2 0 361.442 0.602 10 0 FCAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC(=O)NCCN1CCc3ccccc31)CC2 ZINC000923450397 1245720679 /nfs/dbraw/zinc/72/06/79/1245720679.db2.gz HBXMASZBKWSXOD-SFHVURJKSA-N 2 0 372.513 0.995 10 0 FCAERP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503210 1245725279 /nfs/dbraw/zinc/72/52/79/1245725279.db2.gz HUXLGPRLPFFNFP-BZUAXINKSA-N 2 0 362.474 0.869 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001515107134 1265431812 /nfs/dbraw/zinc/43/18/12/1265431812.db2.gz VONZWZNCKBRVHQ-JKSUJKDBSA-N 2 0 350.507 0.825 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001515239413 1265476958 /nfs/dbraw/zinc/47/69/58/1265476958.db2.gz FXTLMWNRSYFEHV-IAGOWNOFSA-N 2 0 368.522 0.402 10 0 FCAERP CCC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC001328781567 1265611722 /nfs/dbraw/zinc/61/17/22/1265611722.db2.gz VAGUCDMMFZOHHV-QGZVFWFLSA-N 2 0 368.522 0.546 10 0 FCAERP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001328975495 1265668684 /nfs/dbraw/zinc/66/86/84/1265668684.db2.gz TZZCOKVTBHWFCD-RDJZCZTQSA-N 2 0 368.522 0.450 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCC1 ZINC001329068029 1265685691 /nfs/dbraw/zinc/68/56/91/1265685691.db2.gz CVKWNULGFBBODB-INIZCTEOSA-N 2 0 366.506 0.204 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[N@H+](C)C1CC1 ZINC001329076776 1265686772 /nfs/dbraw/zinc/68/67/72/1265686772.db2.gz MKLCBOUCCPNKGT-PBHICJAKSA-N 2 0 366.506 0.202 10 0 FCAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001519363499 1265716008 /nfs/dbraw/zinc/71/60/08/1265716008.db2.gz SIGDWNGHWVAQJS-XYJFISCASA-N 2 0 354.495 0.386 10 0 FCAERP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(C(C)=O)c2cccc3c2C[NH2+]CC3)C1 ZINC001329566490 1265783457 /nfs/dbraw/zinc/78/34/57/1265783457.db2.gz PPQASXWBTXFAJC-CQSZACIVSA-N 2 0 358.442 0.280 10 0 FCAERP O=C(NCC1CC[NH+](C2CCOCC2)CC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC001329838921 1265868331 /nfs/dbraw/zinc/86/83/31/1265868331.db2.gz VYHIPPLAPGSYIH-MRXNPFEDSA-N 2 0 366.506 0.109 10 0 FCAERP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)cc1 ZINC001329855428 1265875753 /nfs/dbraw/zinc/87/57/53/1265875753.db2.gz JJUFPSLVIQFJAR-UHFFFAOYSA-N 2 0 370.497 0.898 10 0 FCAERP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001329999289 1265919749 /nfs/dbraw/zinc/91/97/49/1265919749.db2.gz BNZRWCYBMPCOKA-UUAJXVIYSA-N 2 0 368.522 0.589 10 0 FCAERP CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC001520653751 1265957571 /nfs/dbraw/zinc/95/75/71/1265957571.db2.gz TZOVEWUODBUIRS-WMZOPIPTSA-N 2 0 352.523 0.487 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001520784703 1265999202 /nfs/dbraw/zinc/99/92/02/1265999202.db2.gz HPDFIZXOGBRVHH-PMPSAXMXSA-N 2 0 350.507 0.918 10 0 FCAERP COCCN(CCF)C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001330411017 1266017120 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C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001264008368 859277883 /nfs/dbraw/zinc/27/78/83/859277883.db2.gz MXEYRCWALHFTSP-WBVHZDCISA-N 2 0 350.507 0.825 10 0 FCAERP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001264650556 859415528 /nfs/dbraw/zinc/41/55/28/859415528.db2.gz WKQNNWGJZZHXES-IECFSIQFSA-N 2 0 353.507 0.504 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)Nc3nccs3)C2)CC[N@@H+]1C ZINC001265540465 859462360 /nfs/dbraw/zinc/46/23/60/859462360.db2.gz RODLALRVJNVORD-FVCCEPFGSA-N 2 0 351.476 0.659 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001266939128 859493547 /nfs/dbraw/zinc/49/35/47/859493547.db2.gz ANCMHRHGIITGFP-GRYCIOLGSA-N 2 0 352.401 0.490 10 0 FCAERP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001267129428 859497445 /nfs/dbraw/zinc/49/74/45/859497445.db2.gz PFCSMXPWVLUSCW-MELADBBJSA-N 2 0 355.483 0.047 10 0 FCAERP 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C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001274034294 860663841 /nfs/dbraw/zinc/66/38/41/860663841.db2.gz CNHWEGHFMBQZRF-YVAWVJMJSA-N 2 0 364.412 0.656 10 0 FCAERP C[C@@H](O)CN1CC[NH+](CCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001281788908 863745054 /nfs/dbraw/zinc/74/50/54/863745054.db2.gz QXSNTQQIDQQKDM-KZNAEPCWSA-N 2 0 354.539 0.612 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001282442384 864261817 /nfs/dbraw/zinc/26/18/17/864261817.db2.gz YIAQZBNWQMPECX-FCEWJHQRSA-N 2 0 350.507 0.587 10 0 FCAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1 ZINC001282513886 864316183 /nfs/dbraw/zinc/31/61/83/864316183.db2.gz BHYMDGKNZYBNRO-GVDBMIGSSA-N 2 0 350.507 0.635 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](CCOCCO)C3)CC[N@@H+]1C ZINC001282965161 864480425 /nfs/dbraw/zinc/48/04/25/864480425.db2.gz PHKCPPQKQYZFRW-DLBZAZTESA-N 2 0 353.507 0.650 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cc(CO)ccc2F)CC[N@@H+]1C ZINC001283759632 864517498 /nfs/dbraw/zinc/51/74/98/864517498.db2.gz IJKZCNKYBIXAKA-UHOFOFEASA-N 2 0 353.438 0.225 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+](CCOCCO)CC3)CC2)CC[N@@H+]1C ZINC001284843741 864598641 /nfs/dbraw/zinc/59/86/41/864598641.db2.gz VBEUMDLGKPBLMK-NVXWUHKLSA-N 2 0 353.507 0.696 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]32)CC[N@@H+]1C ZINC001288957430 864825769 /nfs/dbraw/zinc/82/57/69/864825769.db2.gz SKVSSXLWAPUTBU-MWDXBVQZSA-N 2 0 350.507 0.728 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001288979309 864836681 /nfs/dbraw/zinc/83/66/81/864836681.db2.gz QZGIYNRUTONXSW-YESZJQIVSA-N 2 0 350.507 0.729 10 0 FCAERP C[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001288992814 864841154 /nfs/dbraw/zinc/84/11/54/864841154.db2.gz IBJIWCNUJFHATH-JKSUJKDBSA-N 2 0 350.507 0.872 10 0 FCAERP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001289323313 865019238 /nfs/dbraw/zinc/01/92/38/865019238.db2.gz YLPMTJICWKBLOF-IXDOHACOSA-N 2 0 350.507 0.777 10 0 FCAERP C[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001289810795 865286986 /nfs/dbraw/zinc/28/69/86/865286986.db2.gz RBDCXCHXPASQRQ-IAGOWNOFSA-N 2 0 350.507 0.873 10 0 FCAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)CCC1 ZINC001290156272 865345920 /nfs/dbraw/zinc/34/59/20/865345920.db2.gz SLGLKOHWLKCLET-JKSUJKDBSA-N 2 0 350.507 0.968 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001290922162 865557945 /nfs/dbraw/zinc/55/79/45/865557945.db2.gz FBFKCZVFEYEAKY-QBPKDAKJSA-N 2 0 352.523 0.879 10 0 FCAERP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001290984970 865579165 /nfs/dbraw/zinc/57/91/65/865579165.db2.gz GSOVJBHUYCTMTI-IAGOWNOFSA-N 2 0 352.523 0.881 10 0 FCAERP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)C1 ZINC001292303206 865722776 /nfs/dbraw/zinc/72/27/76/865722776.db2.gz JQCQMMRWWVBNOF-BXWFABGCSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CCC[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001299368462 866170782 /nfs/dbraw/zinc/17/07/82/866170782.db2.gz XTSWROXYORMIQJ-NVXWUHKLSA-N 2 0 350.507 0.872 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC3(C[C@H]3NC(=O)CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001353006056 867318792 /nfs/dbraw/zinc/31/87/92/867318792.db2.gz CWMMAXDKZZHCBQ-BZUAXINKSA-N 2 0 350.507 0.776 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(=O)N2CCC2)C1 ZINC001316704805 867412485 /nfs/dbraw/zinc/41/24/85/867412485.db2.gz QNQNSOFWRRBAAD-ZACQAIPSSA-N 2 0 350.507 0.777 10 0 FCAERP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001316756189 867455500 /nfs/dbraw/zinc/45/55/00/867455500.db2.gz BNWZWVSWBJCIMX-OAGGEKHMSA-N 2 0 352.523 0.879 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001316759705 867458557 /nfs/dbraw/zinc/45/85/57/867458557.db2.gz ITXDYPMOBWKMAN-XHSDSOJGSA-N 2 0 350.507 0.774 10 0 FCAERP CC(C)CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001317132890 867523504 /nfs/dbraw/zinc/52/35/04/867523504.db2.gz ULMFZJPDORUDDU-BRWVUGGUSA-N 2 0 352.523 0.927 10 0 FCAERP Cc1csc(=O)n1CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317322400 867528746 /nfs/dbraw/zinc/52/87/46/867528746.db2.gz OKIRTSGIZWIOCP-OWCLPIDISA-N 2 0 366.531 0.997 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CCn2c(C)csc2=O)CC[N@@H+]1C ZINC001320229335 868114089 /nfs/dbraw/zinc/11/40/89/868114089.db2.gz FTZCOCPLYSKDMV-QLFBSQMISA-N 2 0 370.519 0.015 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CCc2c(F)cccc2F)CC[N@@H+]1C ZINC001320231302 868115798 /nfs/dbraw/zinc/11/57/98/868115798.db2.gz LOZYBQSIZKMHRC-MGPQQGTHSA-N 2 0 355.429 0.914 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCOCCO)CC3)CC[N@@H+]1C ZINC001326585070 870396308 /nfs/dbraw/zinc/39/63/08/870396308.db2.gz BCAORFUCUGENAA-DLBZAZTESA-N 2 0 353.507 0.650 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC001327927420 871143526 /nfs/dbraw/zinc/14/35/26/871143526.db2.gz FINHPGSFUZHWEO-UHFFFAOYSA-N 2 0 354.495 0.109 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001328657086 871565129 /nfs/dbraw/zinc/56/51/29/871565129.db2.gz NEJFHLJPYKJXRJ-UKRRQHHQSA-N 2 0 350.467 0.182 10 0 FCAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001329562872 872108992 /nfs/dbraw/zinc/10/89/92/872108992.db2.gz HMJACNLDGISQJE-KXBFYZLASA-N 2 0 350.507 0.907 10 0 FCAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001329562871 872109008 /nfs/dbraw/zinc/10/90/08/872109008.db2.gz HMJACNLDGISQJE-HNAYVOBHSA-N 2 0 350.507 0.907 10 0 FCAERP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCC[NH+](C)C)[NH+](C)C ZINC001347128808 872174527 /nfs/dbraw/zinc/17/45/27/872174527.db2.gz CJKCDMSMWZFTRS-QXSJWSMHSA-N 2 0 354.495 0.153 10 0 FCAERP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC001329822291 872284478 /nfs/dbraw/zinc/28/44/78/872284478.db2.gz NQIGRPSURNOTIB-HUUCEWRRSA-N 2 0 350.438 0.883 10 0 FCAERP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NC[C@@](C)(O)CC[NH+](C)C)cn1 ZINC001330142235 872488695 /nfs/dbraw/zinc/48/86/95/872488695.db2.gz SDCRZLMWNULLCD-RYRKJORJSA-N 2 0 351.495 0.274 10 0 FCAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1 ZINC001348591072 872735185 /nfs/dbraw/zinc/73/51/85/872735185.db2.gz KXJNMHOFIQJZIK-NBOOPKSLSA-N 2 0 354.495 0.384 10 0 FCAERP C[C@@H]1CC(C)(C)CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001332059161 873355163 /nfs/dbraw/zinc/35/51/63/873355163.db2.gz KVMGKAIVQREJBG-BZUAXINKSA-N 2 0 352.523 0.831 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCOCC(F)(F)F)CC[N@@H+]1C ZINC001332519282 873541867 /nfs/dbraw/zinc/54/18/67/873541867.db2.gz ZXVHPHSLHRXXKH-JHJVBQTASA-N 2 0 355.401 0.314 10 0 FCAERP CN1CC[NH+](C2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)CC1 ZINC001333073633 873789512 /nfs/dbraw/zinc/78/95/12/873789512.db2.gz OHBXSFXUKBQAHB-UHFFFAOYSA-N 2 0 350.507 0.336 10 0 FCAERP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292264869 214090018 /nfs/dbraw/zinc/09/00/18/214090018.db2.gz YZXKAZRTINSOOI-VQIMIIECSA-N 2 0 358.490 0.541 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1)C[NH+](C)C ZINC000931003744 674085899 /nfs/dbraw/zinc/08/58/99/674085899.db2.gz AJULVPPXTNTIBN-HZPDHXFCSA-N 2 0 356.511 0.306 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000285034388 213270936 /nfs/dbraw/zinc/27/09/36/213270936.db2.gz HWNDRLMBZGMZDR-MSOLQXFVSA-N 2 0 372.513 0.876 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)CC1 ZINC000246547863 209390064 /nfs/dbraw/zinc/39/00/64/209390064.db2.gz TVRHZHSOXJSWQS-SJLPKXTDSA-N 2 0 352.523 0.628 10 0 FCAERP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](CC)C2)CC1=O ZINC000246484695 209389277 /nfs/dbraw/zinc/38/92/77/209389277.db2.gz RXZJWTGTFWCFSV-BRWVUGGUSA-N 2 0 350.507 0.777 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000246200851 209381921 /nfs/dbraw/zinc/38/19/21/209381921.db2.gz VWTKBXLVWGEILF-ROUUACIJSA-N 2 0 354.539 0.733 10 0 FCAERP COCC[NH+]1CCC(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000195145832 209333393 /nfs/dbraw/zinc/33/33/93/209333393.db2.gz VQPZHGMUJSSWAU-INIZCTEOSA-N 2 0 368.522 0.992 10 0 FCAERP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194733974 209328788 /nfs/dbraw/zinc/32/87/88/209328788.db2.gz WPHHYSFPNPXESW-OAHLLOKOSA-N 2 0 350.507 0.907 10 0 FCAERP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000194734849 209328181 /nfs/dbraw/zinc/32/81/81/209328181.db2.gz ISIRXWRLQYZJFD-INIZCTEOSA-N 2 0 350.507 0.873 10 0 FCAERP COc1cc[nH+]c(N2CCN(C(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)CC2)c1 ZINC000368395660 216241792 /nfs/dbraw/zinc/24/17/92/216241792.db2.gz USJSNDYHLQDINX-GOOCMWNKSA-N 2 0 358.442 0.554 10 0 FCAERP C[NH+]1CCN([C@@H]2CCCCN(S(=O)(=O)CC[NH+]3CCCC3)C2)CC1 ZINC000192821825 209305988 /nfs/dbraw/zinc/30/59/88/209305988.db2.gz WXBDJYCVCDZJOK-QGZVFWFLSA-N 2 0 358.552 0.514 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415603031 245444699 /nfs/dbraw/zinc/44/46/99/245444699.db2.gz AAJISLZKXMVGOA-YJBOKZPZSA-N 2 0 373.501 0.487 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)[NH+](C)C)c1 ZINC000418864150 245877354 /nfs/dbraw/zinc/87/73/54/245877354.db2.gz QBPXLOJUGGTMJW-XKQJLSEDSA-N 2 0 362.474 0.528 10 0 FCAERP C[C@@H](NC(=O)C(=O)NCCC[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419306617 246092755 /nfs/dbraw/zinc/09/27/55/246092755.db2.gz YJVONEWBTKNIJB-CYBMUJFWSA-N 2 0 365.453 0.220 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000419412456 246148120 /nfs/dbraw/zinc/14/81/20/246148120.db2.gz QWAXVBULLPTFCD-WQVCFCJDSA-N 2 0 350.438 0.659 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419538378 246196921 /nfs/dbraw/zinc/19/69/21/246196921.db2.gz XBMPCPOQVZTGEL-MXSMSXNCSA-N 2 0 358.486 0.737 10 0 FCAERP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000419556672 246200988 /nfs/dbraw/zinc/20/09/88/246200988.db2.gz JIJFOKRXJROFQC-UKRRQHHQSA-N 2 0 352.504 0.973 10 0 FCAERP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419671825 246239767 /nfs/dbraw/zinc/23/97/67/246239767.db2.gz ZAFCHUWMBIDXBE-MRXNPFEDSA-N 2 0 359.474 0.673 10 0 FCAERP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419695390 246253782 /nfs/dbraw/zinc/25/37/82/246253782.db2.gz SDGBYIZOFNRJKM-HNNXBMFYSA-N 2 0 368.547 0.723 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000419721173 246270384 /nfs/dbraw/zinc/27/03/84/246270384.db2.gz JHPKNNLYELRPCX-CRAIPNDOSA-N 2 0 358.486 0.881 10 0 FCAERP O=C(NCCN1CCc2c(Cl)cccc2C1)C(=O)NC1CC[NH2+]CC1 ZINC000419705962 246261384 /nfs/dbraw/zinc/26/13/84/246261384.db2.gz BULGMPADXBBFKM-UHFFFAOYSA-N 2 0 364.877 0.683 10 0 FCAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000419951730 246384767 /nfs/dbraw/zinc/38/47/67/246384767.db2.gz NLAWMQIOKNZWBX-CVEARBPZSA-N 2 0 354.495 0.204 10 0 FCAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000931692340 674131740 /nfs/dbraw/zinc/13/17/40/674131740.db2.gz LICRPGTUIVSLSN-WNKDZCFJSA-N 2 0 350.507 0.728 10 0 FCAERP CN(C(=O)C(=O)N1CCC(C[NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423069767 246959389 /nfs/dbraw/zinc/95/93/89/246959389.db2.gz MAQHLFRBTGJUNQ-GOSISDBHSA-N 2 0 358.486 0.917 10 0 FCAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000423438077 247028175 /nfs/dbraw/zinc/02/81/75/247028175.db2.gz GRKQRRZOICFHJP-YLJYHZDGSA-N 2 0 362.518 0.779 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000423452138 247029629 /nfs/dbraw/zinc/02/96/29/247029629.db2.gz VZRWLSGXUGBIHP-BBWFWOEESA-N 2 0 366.506 0.156 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424198847 247177786 /nfs/dbraw/zinc/17/77/86/247177786.db2.gz YDJNMOBBXDHJQA-GJZGRUSLSA-N 2 0 350.467 0.385 10 0 FCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424543423 247257697 /nfs/dbraw/zinc/25/76/97/247257697.db2.gz JRSDTCRJRSPRTC-GDAAHCPNSA-N 2 0 370.497 0.834 10 0 FCAERP NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](NC(N)=O)C2)C1 ZINC000270802982 211270313 /nfs/dbraw/zinc/27/03/13/211270313.db2.gz MJKNAWDGGRHEHP-HZPDHXFCSA-N 2 0 360.462 0.172 10 0 FCAERP C[N@@H+](CC(=O)N1CCNC1=O)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128154 208213603 /nfs/dbraw/zinc/21/36/03/208213603.db2.gz ABDPNGJDPIGAQD-GOSISDBHSA-N 2 0 374.485 0.916 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCO1 ZINC000116977828 208340587 /nfs/dbraw/zinc/34/05/87/208340587.db2.gz BLOUABNLJCQLIF-LJQANCHMSA-N 2 0 360.502 0.837 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000118842094 208352217 /nfs/dbraw/zinc/35/22/17/208352217.db2.gz VWTKBXLVWGEILF-MSOLQXFVSA-N 2 0 354.539 0.733 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000177687558 209031529 /nfs/dbraw/zinc/03/15/29/209031529.db2.gz HBUVMWZTINJMCV-INIZCTEOSA-N 2 0 360.458 0.872 10 0 FCAERP C[C@@H]1CN(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000155311738 229188327 /nfs/dbraw/zinc/18/83/27/229188327.db2.gz RQSJTHSVGRRBFJ-HUUCEWRRSA-N 2 0 362.540 0.298 10 0 FCAERP Cc1cc(NCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)nc(C(C)C)n1 ZINC000629594511 484364167 /nfs/dbraw/zinc/36/41/67/484364167.db2.gz VBHXRRXPQNEJEH-INIZCTEOSA-N 2 0 350.511 0.518 10 0 FCAERP O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(=O)N1CC[NH2+]CC1 ZINC000311691217 488895430 /nfs/dbraw/zinc/89/54/30/488895430.db2.gz SFTQFNLVXGKEHZ-OKZBNKHCSA-N 2 0 356.470 0.445 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000287949263 488924801 /nfs/dbraw/zinc/92/48/01/488924801.db2.gz XRUKJZAPXKBECX-QGZVFWFLSA-N 2 0 360.502 0.876 10 0 FCAERP CN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000562816610 491191872 /nfs/dbraw/zinc/19/18/72/491191872.db2.gz ZSTPQBZIUTVWEI-KGLIPLIRSA-N 2 0 363.428 0.701 10 0 FCAERP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCCC1 ZINC000562821390 491192896 /nfs/dbraw/zinc/19/28/96/491192896.db2.gz WEJRGBOUHVIXMO-IBGZPJMESA-N 2 0 350.507 0.827 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000074167268 488388456 /nfs/dbraw/zinc/38/84/56/488388456.db2.gz DONCEWPFDGTASA-IRXDYDNUSA-N 2 0 355.527 0.280 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000074167276 488388839 /nfs/dbraw/zinc/38/88/39/488388839.db2.gz DONCEWPFDGTASA-IAGOWNOFSA-N 2 0 355.527 0.280 10 0 FCAERP Cn1cc(N2CCC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2)cn1 ZINC000074614292 488392593 /nfs/dbraw/zinc/39/25/93/488392593.db2.gz INNKTSOOIBQWTR-MRXNPFEDSA-N 2 0 365.526 0.524 10 0 FCAERP CC[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000184807936 488397418 /nfs/dbraw/zinc/39/74/18/488397418.db2.gz FKVJPYJOQGVVMC-SJLPKXTDSA-N 2 0 369.554 0.499 10 0 FCAERP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000562838379 491195546 /nfs/dbraw/zinc/19/55/46/491195546.db2.gz XFBUMDSKVZPRLU-MRXNPFEDSA-N 2 0 354.495 0.063 10 0 FCAERP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000245430070 488464434 /nfs/dbraw/zinc/46/44/34/488464434.db2.gz NLFLUBRFNBDDFI-MSOLQXFVSA-N 2 0 352.523 0.726 10 0 FCAERP CC[C@H]1CN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000246460998 488473019 /nfs/dbraw/zinc/47/30/19/488473019.db2.gz YTPXHJHAMWXNTB-WMZOPIPTSA-N 2 0 354.539 0.752 10 0 FCAERP C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CN(C)C3)C[C@H]1C ZINC000246904781 488477426 /nfs/dbraw/zinc/47/74/26/488477426.db2.gz FVFWGHFCCHWNNV-KGLIPLIRSA-N 2 0 360.458 0.484 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN[C@H](C)c2nnc3ccccn32)C1 ZINC000249355901 488509001 /nfs/dbraw/zinc/50/90/01/488509001.db2.gz YMXISNUSORQBEA-HZPDHXFCSA-N 2 0 374.489 0.853 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)C1 ZINC000249399895 488509636 /nfs/dbraw/zinc/50/96/36/488509636.db2.gz UUIXMKSPXODKCM-OAGGEKHMSA-N 2 0 354.495 0.093 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000111865675 488532166 /nfs/dbraw/zinc/53/21/66/488532166.db2.gz UEVWJETXWUTJGS-INIZCTEOSA-N 2 0 364.494 0.358 10 0 FCAERP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261858755 488539193 /nfs/dbraw/zinc/53/91/93/488539193.db2.gz WGGZPGRHLCSAOQ-DDBAPUKQSA-N 2 0 358.486 0.773 10 0 FCAERP [NH3+]C[C@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1 ZINC000261937990 488542699 /nfs/dbraw/zinc/54/26/99/488542699.db2.gz XCCHKJBXTRTHEE-KBPBESRZSA-N 2 0 362.371 0.820 10 0 FCAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](C)C1 ZINC000272123663 488563567 /nfs/dbraw/zinc/56/35/67/488563567.db2.gz SUROVFZWBHAVAX-ZIAGYGMSSA-N 2 0 362.478 0.096 10 0 FCAERP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000570030714 491211283 /nfs/dbraw/zinc/21/12/83/491211283.db2.gz GFSDCGWUBSLYAI-UHFFFAOYSA-N 2 0 359.474 0.719 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000153818507 488735146 /nfs/dbraw/zinc/73/51/46/488735146.db2.gz YXWRDUJQPGWTSN-UHFFFAOYSA-N 2 0 364.494 0.621 10 0 FCAERP Cn1ccnc1CN1CCC(C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000170862761 488816934 /nfs/dbraw/zinc/81/69/34/488816934.db2.gz OQARKPUDVQFENL-UHFFFAOYSA-N 2 0 363.506 0.859 10 0 FCAERP O=C(CSCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171756889 488826644 /nfs/dbraw/zinc/82/66/44/488826644.db2.gz YVWIMAJADNGYAV-HZPDHXFCSA-N 2 0 366.531 0.333 10 0 FCAERP CC[C@H](CO)N1CC[NH+](CC(C)CN2CC[NH+]([C@H](CC)CO)CC2)CC1 ZINC000173741244 488844994 /nfs/dbraw/zinc/84/49/94/488844994.db2.gz CNUHBONSJFZAHI-WOJBJXKFSA-N 2 0 370.582 0.400 10 0 FCAERP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173991489 488846852 /nfs/dbraw/zinc/84/68/52/488846852.db2.gz OLYHECLLHRBWRJ-ROUUACIJSA-N 2 0 373.501 0.525 10 0 FCAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000175803608 488855690 /nfs/dbraw/zinc/85/56/90/488855690.db2.gz OPAJPBQWXBKMQV-IRXDYDNUSA-N 2 0 355.527 0.232 10 0 FCAERP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000175808317 488855900 /nfs/dbraw/zinc/85/59/00/488855900.db2.gz LDMAMJRZTDKWFQ-MSOLQXFVSA-N 2 0 369.554 0.406 10 0 FCAERP Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000178321517 488860229 /nfs/dbraw/zinc/86/02/29/488860229.db2.gz JFLLDWAPMYOVBQ-CFVMTHIKSA-N 2 0 354.476 0.348 10 0 FCAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000181724993 488863833 /nfs/dbraw/zinc/86/38/33/488863833.db2.gz HMKZGRVCHUEGIK-DLBZAZTESA-N 2 0 369.554 0.357 10 0 FCAERP Cn1nccc1[C@H]1[C@H](C[N@H+](C)CCN2CCCS2(=O)=O)CCCN1C ZINC000329142475 488973702 /nfs/dbraw/zinc/97/37/02/488973702.db2.gz UZKBATQTJADWRC-DOTOQJQBSA-N 2 0 369.535 0.770 10 0 FCAERP CC[NH+]1CCC(NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000283418400 489256510 /nfs/dbraw/zinc/25/65/10/489256510.db2.gz LANJRQOUCDQELA-GOSISDBHSA-N 2 0 360.502 0.876 10 0 FCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000369883166 489287488 /nfs/dbraw/zinc/28/74/88/489287488.db2.gz JJJGVIUCYAHIKW-ZSZQSSIHSA-N 2 0 359.474 0.962 10 0 FCAERP CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000570645182 491255342 /nfs/dbraw/zinc/25/53/42/491255342.db2.gz CNUFANZRBRPRNH-INIZCTEOSA-N 2 0 359.536 0.845 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000570641197 491255419 /nfs/dbraw/zinc/25/54/19/491255419.db2.gz WOSASEQNYIKXJU-KRWDZBQOSA-N 2 0 366.506 0.348 10 0 FCAERP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000423086462 489492316 /nfs/dbraw/zinc/49/23/16/489492316.db2.gz NDBSWUUHHNFWHP-MRXNPFEDSA-N 2 0 350.507 0.908 10 0 FCAERP CN(C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000423272421 489510099 /nfs/dbraw/zinc/51/00/99/489510099.db2.gz KCEBETHOTUCZOB-QILLFSRXSA-N 2 0 374.460 0.774 10 0 FCAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000451602271 489511776 /nfs/dbraw/zinc/51/17/76/489511776.db2.gz VAAQEJZMJQVVSX-ZACQAIPSSA-N 2 0 369.506 0.781 10 0 FCAERP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)CC1 ZINC000423302530 489513221 /nfs/dbraw/zinc/51/32/21/489513221.db2.gz JUIVFLDDSHWOPT-GPQLOAJWSA-N 2 0 362.518 0.920 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCCCCC1 ZINC000415311294 489514907 /nfs/dbraw/zinc/51/49/07/489514907.db2.gz ZKVVAPYWWSCCII-UHFFFAOYSA-N 2 0 356.430 1.374 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000415772388 489551910 /nfs/dbraw/zinc/55/19/10/489551910.db2.gz TYBNFMMQTMYSFG-YOEHRIQHSA-N 2 0 360.458 0.776 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000570798964 491265298 /nfs/dbraw/zinc/26/52/98/491265298.db2.gz LNNYZLJEWQAFEP-MRXNPFEDSA-N 2 0 364.494 0.822 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417003278 489638068 /nfs/dbraw/zinc/63/80/68/489638068.db2.gz GVEIFIPQMPIFAY-HZPDHXFCSA-N 2 0 353.511 0.570 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000417014525 489638729 /nfs/dbraw/zinc/63/87/29/489638729.db2.gz FLCQMIOYSWIOAM-UHFFFAOYSA-N 2 0 373.501 0.583 10 0 FCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417382270 489650167 /nfs/dbraw/zinc/65/01/67/489650167.db2.gz JJYMWWPQYSWEFJ-FUHWJXTLSA-N 3 0 360.506 0.891 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417434526 489653301 /nfs/dbraw/zinc/65/33/01/489653301.db2.gz XHNRCWNHBYGECY-STQMWFEESA-N 2 0 361.437 0.226 10 0 FCAERP COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000373089484 489667915 /nfs/dbraw/zinc/66/79/15/489667915.db2.gz IKCBTMVUOQEYAU-HZPDHXFCSA-N 2 0 355.479 0.487 10 0 FCAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000429016211 489670458 /nfs/dbraw/zinc/67/04/58/489670458.db2.gz BECAEBSFUOYQAW-QGZVFWFLSA-N 2 0 366.487 0.690 10 0 FCAERP [NH3+]CCCNC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000418313581 489690848 /nfs/dbraw/zinc/69/08/48/489690848.db2.gz QPFPIVSLTCNILO-QGZVFWFLSA-N 2 0 360.506 0.974 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000418555923 489706921 /nfs/dbraw/zinc/70/69/21/489706921.db2.gz DYBUHFWZOJIMDR-FPCVCCKLSA-N 2 0 351.495 0.274 10 0 FCAERP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000418808906 489733070 /nfs/dbraw/zinc/73/30/70/489733070.db2.gz RWFOVKXAIOFMNR-GFCCVEGCSA-N 2 0 354.401 0.463 10 0 FCAERP C[C@]1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000418818032 489736249 /nfs/dbraw/zinc/73/62/49/489736249.db2.gz NGJXDTPGKSYAQW-FXAWDEMLSA-N 2 0 374.485 0.262 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000418861107 489762252 /nfs/dbraw/zinc/76/22/52/489762252.db2.gz DKAHIUJPUWMWPW-HIFRSBDPSA-N 2 0 354.495 0.454 10 0 FCAERP CN1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418899174 489780730 /nfs/dbraw/zinc/78/07/30/489780730.db2.gz BPRZMDKVQHSPOP-CABCVRRESA-N 2 0 352.385 0.258 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C3CCC3)CC2)C1 ZINC000376765358 489792699 /nfs/dbraw/zinc/79/26/99/489792699.db2.gz QKHLCZJSNNTSOY-SFHVURJKSA-N 2 0 352.523 0.630 10 0 FCAERP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000459926142 489796334 /nfs/dbraw/zinc/79/63/34/489796334.db2.gz ZDGNZIWODCKREC-UHFFFAOYSA-N 2 0 350.507 0.875 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCO1 ZINC000419016091 489819496 /nfs/dbraw/zinc/81/94/96/489819496.db2.gz MBGWZPOFLSKYPG-GOSISDBHSA-N 2 0 374.485 0.475 10 0 FCAERP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000420038927 489890064 /nfs/dbraw/zinc/89/00/64/489890064.db2.gz NJLQKJSKXGBHSU-LJISPDSOSA-N 2 0 354.495 0.595 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)[C@H](C)C1 ZINC000420042816 489890781 /nfs/dbraw/zinc/89/07/81/489890781.db2.gz RBNDDSNUALIQGC-QPSCCSFWSA-N 2 0 354.495 0.404 10 0 FCAERP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000420069194 489901866 /nfs/dbraw/zinc/90/18/66/489901866.db2.gz VMPGKAYZUVZVNV-NVXWUHKLSA-N 2 0 350.507 0.955 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000420111736 489916656 /nfs/dbraw/zinc/91/66/56/489916656.db2.gz CXLOCEIZVMVGPY-PBHICJAKSA-N 2 0 364.465 0.830 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420132152 489924618 /nfs/dbraw/zinc/92/46/18/489924618.db2.gz ZODNOGUIIZPHOU-DOTOQJQBSA-N 2 0 366.506 0.204 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000420142094 489928018 /nfs/dbraw/zinc/92/80/18/489928018.db2.gz KCLCDUWXMLGLPJ-XHSDSOJGSA-N 2 0 354.495 0.060 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000420142091 489928187 /nfs/dbraw/zinc/92/81/87/489928187.db2.gz KCLCDUWXMLGLPJ-ARFHVFGLSA-N 2 0 354.495 0.060 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000420142092 489928498 /nfs/dbraw/zinc/92/84/98/489928498.db2.gz KCLCDUWXMLGLPJ-BZUAXINKSA-N 2 0 354.495 0.060 10 0 FCAERP CCO[C@H]1C[C@@]([NH3+])(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C1(C)C ZINC000564082962 491287822 /nfs/dbraw/zinc/28/78/22/491287822.db2.gz DMZHUBPMZNGCDH-IADFQQGMSA-N 2 0 352.523 0.852 10 0 FCAERP CN(C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420190853 489946692 /nfs/dbraw/zinc/94/66/92/489946692.db2.gz PQQDNPFCHDZKDZ-KSZLIROESA-N 2 0 358.486 0.963 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@](CO)(C(C)C)C2)C1 ZINC000377728189 489948667 /nfs/dbraw/zinc/94/86/67/489948667.db2.gz VTYRAQOUSQJWDN-HKUYNNGSSA-N 2 0 355.523 0.800 10 0 FCAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420210113 489953711 /nfs/dbraw/zinc/95/37/11/489953711.db2.gz NBRKBLRNYTYHDJ-BPKGMFCQSA-N 2 0 350.507 0.870 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)C)CC1=O ZINC000464921721 490072478 /nfs/dbraw/zinc/07/24/78/490072478.db2.gz OHQNEZDUWIECQH-BBWFWOEESA-N 2 0 350.507 0.872 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]2C[NH+](C)C)CC1=O ZINC000464921724 490073097 /nfs/dbraw/zinc/07/30/97/490073097.db2.gz OHQNEZDUWIECQH-ZACQAIPSSA-N 2 0 350.507 0.872 10 0 FCAERP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000390907535 490140162 /nfs/dbraw/zinc/14/01/62/490140162.db2.gz VEBWCQJKEPDEFL-AYHJJNSGSA-N 2 0 356.470 0.730 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000465869879 490148497 /nfs/dbraw/zinc/14/84/97/490148497.db2.gz FTKJQSWURUNLCR-DLBZAZTESA-N 2 0 356.511 0.849 10 0 FCAERP CN(C)CCN(CCN(C)C)C(=O)NCc1ncccc1S(C)(=O)=O ZINC000571379532 491303805 /nfs/dbraw/zinc/30/38/05/491303805.db2.gz HXUMDRPHHRJKBM-UHFFFAOYSA-N 2 0 371.507 0.120 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000422129891 490179418 /nfs/dbraw/zinc/17/94/18/490179418.db2.gz KJKUGKNWPZXYPI-ROUUACIJSA-N 2 0 360.502 0.828 10 0 FCAERP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000408071262 490238292 /nfs/dbraw/zinc/23/82/92/490238292.db2.gz MWCDAHSCPCRMCN-BZUAXINKSA-N 2 0 351.495 0.417 10 0 FCAERP C[C@@H](CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C[NH+]1CCCC1 ZINC000556347896 491310367 /nfs/dbraw/zinc/31/03/67/491310367.db2.gz GZAHOEKBTHPXSD-XYTVBORESA-N 2 0 350.507 0.966 10 0 FCAERP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@@H+]1C ZINC000408108613 490250312 /nfs/dbraw/zinc/25/03/12/490250312.db2.gz SOGHFAQHVRHPCW-ZSNVMCELSA-N 2 0 350.507 0.917 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000507937515 490279724 /nfs/dbraw/zinc/27/97/24/490279724.db2.gz IJBYRHYOGJXVNP-XYTVBORESA-N 2 0 350.507 0.918 10 0 FCAERP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000422476430 490344557 /nfs/dbraw/zinc/34/45/57/490344557.db2.gz VMZRLSNWADLTJG-MRXNPFEDSA-N 2 0 355.442 0.895 10 0 FCAERP [NH3+]C1CCC(OCC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000571794423 491329675 /nfs/dbraw/zinc/32/96/75/491329675.db2.gz PCHSKUMAQKGUIZ-OTBWCIGPSA-N 2 0 366.506 0.380 10 0 FCAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000422992429 490512657 /nfs/dbraw/zinc/51/26/57/490512657.db2.gz QAQKLPLYZYTNKW-QYZOEREBSA-N 2 0 360.502 0.929 10 0 FCAERP CC[NH+]1CCN([C@@H](C)CNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000535761279 490524205 /nfs/dbraw/zinc/52/42/05/490524205.db2.gz OABDWAHTGBSSTO-KRWDZBQOSA-N 2 0 374.533 0.589 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423059109 490531795 /nfs/dbraw/zinc/53/17/95/490531795.db2.gz LEHKWMCISHUJRG-SFHVURJKSA-N 2 0 358.486 0.930 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)NCC[NH+](C)C ZINC000536229669 490562909 /nfs/dbraw/zinc/56/29/09/490562909.db2.gz XPCWMLPPWMZILD-OAGGEKHMSA-N 2 0 355.527 0.861 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NCC[NH+](C)C ZINC000536229673 490562969 /nfs/dbraw/zinc/56/29/69/490562969.db2.gz XPCWMLPPWMZILD-XHSDSOJGSA-N 2 0 355.527 0.861 10 0 FCAERP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000526977752 490690222 /nfs/dbraw/zinc/69/02/22/490690222.db2.gz ZFCCQEHGMMOPAE-OAHLLOKOSA-N 2 0 363.462 0.643 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000565099122 491353584 /nfs/dbraw/zinc/35/35/84/491353584.db2.gz QQOPRQNVEWSZSW-MSOLQXFVSA-N 2 0 368.522 0.774 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000514601650 490773978 /nfs/dbraw/zinc/77/39/78/490773978.db2.gz YWQPJGGVFDYJPP-AWEZNQCLSA-N 2 0 350.419 0.796 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)Cc1ccccc1 ZINC000515144797 490810000 /nfs/dbraw/zinc/81/00/00/490810000.db2.gz JDGCXWOCEOLTLG-WIYYLYMNSA-N 2 0 372.513 0.878 10 0 FCAERP O=C(C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO)NC1CC[NH+](C2CC2)CC1 ZINC000528635360 490816946 /nfs/dbraw/zinc/81/69/46/490816946.db2.gz ACNJRKLGPZDDPC-GOSISDBHSA-N 2 0 365.518 0.983 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000515386400 490823541 /nfs/dbraw/zinc/82/35/41/490823541.db2.gz MBWLNBBWVLZBNN-MHORFTMASA-N 2 0 352.523 0.519 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cc(F)ccc1F ZINC000516034932 490846868 /nfs/dbraw/zinc/84/68/68/490846868.db2.gz KJBVPKZWBBKOTC-UHFFFAOYSA-N 2 0 370.444 0.575 10 0 FCAERP C[NH+](C)CCn1ccc(C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)n1 ZINC000516086532 490849722 /nfs/dbraw/zinc/84/97/22/490849722.db2.gz ZJKOQKFLSLHUME-UHFFFAOYSA-N 2 0 370.457 0.540 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000516659257 490873429 /nfs/dbraw/zinc/87/34/29/490873429.db2.gz AUCKANGGTWFHTK-SJORKVTESA-N 2 0 369.554 0.221 10 0 FCAERP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000516765878 490877209 /nfs/dbraw/zinc/87/72/09/490877209.db2.gz GMUMVORUCRJMDJ-QGZVFWFLSA-N 2 0 369.473 0.992 10 0 FCAERP COc1ccc(CN2CC[C@@H]2C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000530240780 490895350 /nfs/dbraw/zinc/89/53/50/490895350.db2.gz NQQVFQDYQYRNOV-RTBURBONSA-N 2 0 362.518 0.467 10 0 FCAERP CCCCNC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000517370533 490906064 /nfs/dbraw/zinc/90/60/64/490906064.db2.gz HXYQRCWNXGXWNZ-GJZGRUSLSA-N 2 0 352.479 0.304 10 0 FCAERP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000517400798 490907219 /nfs/dbraw/zinc/90/72/19/490907219.db2.gz LTXFLAVPWJRAKV-UHFFFAOYSA-N 2 0 354.495 0.158 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000543967903 490953311 /nfs/dbraw/zinc/95/33/11/490953311.db2.gz ZKBRSNLWENCNNS-KBMXLJTQSA-N 2 0 374.489 0.693 10 0 FCAERP CC(C)C[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C(=O)NCC[NH+](C)C ZINC000544022637 490955053 /nfs/dbraw/zinc/95/50/53/490955053.db2.gz KDHSPZCZZGPJAT-HOTGVXAUSA-N 2 0 356.511 0.163 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCn1ccnn1 ZINC000544335014 490965805 /nfs/dbraw/zinc/96/58/05/490965805.db2.gz BLDYUQGVDDXYMP-MRXNPFEDSA-N 2 0 351.499 0.726 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000519561293 490976519 /nfs/dbraw/zinc/97/65/19/490976519.db2.gz XVGFJVIYXYAJIM-JTTJXQCZSA-N 2 0 370.563 0.777 10 0 FCAERP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000519716245 490986548 /nfs/dbraw/zinc/98/65/48/490986548.db2.gz SVGORFLIZVBORR-HZPDHXFCSA-N 2 0 363.510 0.206 10 0 FCAERP COC[C@]1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)OCCc2ccccc21 ZINC000569568414 491169134 /nfs/dbraw/zinc/16/91/34/491169134.db2.gz CRWIDGMTMDMYJZ-ICSRJNTNSA-N 2 0 363.502 0.299 10 0 FCAERP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000572499297 491374228 /nfs/dbraw/zinc/37/42/28/491374228.db2.gz OWVGHTYUXXJNAE-KSZLIROESA-N 2 0 363.481 0.898 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000557493906 491378219 /nfs/dbraw/zinc/37/82/19/491378219.db2.gz SSDUABWZWKHFMJ-KRWDZBQOSA-N 2 0 366.506 0.300 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000557492457 491378317 /nfs/dbraw/zinc/37/83/17/491378317.db2.gz CJMHJHNGMFEJPD-CVEARBPZSA-N 2 0 354.495 0.204 10 0 FCAERP Cc1nn(C)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C(F)F ZINC000565998943 491411756 /nfs/dbraw/zinc/41/17/56/491411756.db2.gz PCNCKMRPJGPVBJ-UHFFFAOYSA-N 2 0 367.466 0.780 10 0 FCAERP COc1cccc(N2CCC[C@@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)c1 ZINC000566116647 491418511 /nfs/dbraw/zinc/41/85/11/491418511.db2.gz KAMKYBNXSAJDJD-MJGOQNOKSA-N 2 0 362.518 0.862 10 0 FCAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@H]1Oc1ccccc1 ZINC000566132406 491419342 /nfs/dbraw/zinc/41/93/42/491419342.db2.gz WVKAIOODWSNXKB-GSEOLPGOSA-N 2 0 363.502 0.809 10 0 FCAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@@H]1Oc1ccccc1 ZINC000566132411 491419497 /nfs/dbraw/zinc/41/94/97/491419497.db2.gz WVKAIOODWSNXKB-MDNKFWRPSA-N 2 0 363.502 0.809 10 0 FCAERP CCN(C(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000668372531 493342524 /nfs/dbraw/zinc/34/25/24/493342524.db2.gz KNJOOCBDXJYFCD-MSOLQXFVSA-N 2 0 358.486 0.930 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)CC1 ZINC000558630000 491439128 /nfs/dbraw/zinc/43/91/28/491439128.db2.gz PQXUGZRKHYXGMX-UXHICEINSA-N 2 0 370.497 0.788 10 0 FCAERP [NH3+]CCc1ccccc1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000566406301 491441696 /nfs/dbraw/zinc/44/16/96/491441696.db2.gz CZPFSWGATAOZTR-CRAIPNDOSA-N 2 0 358.486 0.908 10 0 FCAERP CC[NH+](CC)CCS(=O)(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000566648285 491458454 /nfs/dbraw/zinc/45/84/54/491458454.db2.gz ODSRSJSMBUUCPE-SFHVURJKSA-N 2 0 369.531 0.885 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000566679386 491460260 /nfs/dbraw/zinc/46/02/60/491460260.db2.gz UCWRTBAOEXGHDM-SJLPKXTDSA-N 2 0 374.485 0.298 10 0 FCAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000574343782 491490970 /nfs/dbraw/zinc/49/09/70/491490970.db2.gz TZDUYUGXMMKBSF-KRWDZBQOSA-N 2 0 368.522 0.405 10 0 FCAERP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000559759421 491496523 /nfs/dbraw/zinc/49/65/23/491496523.db2.gz IGKJXBHZUKSQSH-XYTVBORESA-N 2 0 350.507 0.966 10 0 FCAERP CC(C)[NH2+]C1(CO)CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000574766343 491518811 /nfs/dbraw/zinc/51/88/11/491518811.db2.gz HVJFVMDQOWPVAZ-UHFFFAOYSA-N 2 0 352.523 0.554 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000567679990 491522453 /nfs/dbraw/zinc/52/24/53/491522453.db2.gz LZWVORTYHDVWSN-UXHICEINSA-N 2 0 362.518 0.258 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000567679989 491522863 /nfs/dbraw/zinc/52/28/63/491522863.db2.gz LZWVORTYHDVWSN-PMACEKPBSA-N 2 0 362.518 0.258 10 0 FCAERP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1OC ZINC000567692618 491523236 /nfs/dbraw/zinc/52/32/36/491523236.db2.gz YTMMSDCSBZBCRV-NVXWUHKLSA-N 2 0 351.491 0.833 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000568095287 491552893 /nfs/dbraw/zinc/55/28/93/491552893.db2.gz ZOYVHAWRGHABKM-MRXNPFEDSA-N 2 0 368.522 0.450 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000575974043 491573488 /nfs/dbraw/zinc/57/34/88/491573488.db2.gz WPAIGUYVZICUMI-LJQANCHMSA-N 2 0 350.507 0.827 10 0 FCAERP CC[NH+]1CCN(c2ccccc2NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000568516925 491582274 /nfs/dbraw/zinc/58/22/74/491582274.db2.gz TUHYIKNWKRXUHP-INIZCTEOSA-N 2 0 359.474 0.635 10 0 FCAERP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000561453332 491610205 /nfs/dbraw/zinc/61/02/05/491610205.db2.gz GTGRUQBFYOZATD-BZSNNMDCSA-N 2 0 374.485 0.385 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000577365012 491614875 /nfs/dbraw/zinc/61/48/75/491614875.db2.gz NOFORIYBPMJVRW-GJZGRUSLSA-N 2 0 353.898 0.512 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000577404275 491619757 /nfs/dbraw/zinc/61/97/57/491619757.db2.gz DZEKWQNEMODACU-UHFFFAOYSA-N 2 0 354.495 0.202 10 0 FCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000576516518 491621740 /nfs/dbraw/zinc/62/17/40/491621740.db2.gz DZTRAJKLLLDOSV-FYNRORONSA-N 2 0 364.534 0.852 10 0 FCAERP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)CC2)c1 ZINC000577486886 491625508 /nfs/dbraw/zinc/62/55/08/491625508.db2.gz PUELYNCZTHFSSG-ZDUSSCGKSA-N 2 0 355.389 0.919 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000561879437 491636898 /nfs/dbraw/zinc/63/68/98/491636898.db2.gz IVYYGXQBRHWLTK-QGZVFWFLSA-N 2 0 350.507 0.920 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000577652011 491640142 /nfs/dbraw/zinc/64/01/42/491640142.db2.gz YULHBLQNEPSTGZ-GOEBONIOSA-N 2 0 353.511 0.794 10 0 FCAERP COC(=O)[C@@](C)(O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000569386133 491658040 /nfs/dbraw/zinc/65/80/40/491658040.db2.gz SYJWKFPNKCARPU-SFHVURJKSA-N 2 0 357.495 0.326 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1=O ZINC000578774507 491684064 /nfs/dbraw/zinc/68/40/64/491684064.db2.gz BRRDJSBKLJTLEB-MJBXVCDLSA-N 2 0 358.433 0.433 10 0 FCAERP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@@H+]1C ZINC000579572589 491700658 /nfs/dbraw/zinc/70/06/58/491700658.db2.gz DDNGHFZRMFJBNU-VEMSKXMJSA-N 2 0 362.518 0.855 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579812103 491705695 /nfs/dbraw/zinc/70/56/95/491705695.db2.gz QNANVALMTQKENN-QFBILLFUSA-N 2 0 365.522 0.714 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579812101 491705704 /nfs/dbraw/zinc/70/57/04/491705704.db2.gz QNANVALMTQKENN-APWZRJJASA-N 2 0 365.522 0.714 10 0 FCAERP CCOC(=O)c1sc([C@H](C)NC(=O)N2CCN(C)C[C@@H]2C[NH3+])nc1C ZINC000579932259 491709781 /nfs/dbraw/zinc/70/97/81/491709781.db2.gz CCDUDXAJZDXPAL-RYUDHWBXSA-N 2 0 369.491 0.974 10 0 FCAERP CN1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C[C@H]1Cc1ccccc1 ZINC000579942223 491710072 /nfs/dbraw/zinc/71/00/72/491710072.db2.gz NAVNOYZSVIWGGP-GOSISDBHSA-N 2 0 370.497 0.726 10 0 FCAERP CN1CCN(c2cc[nH+]cc2NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000580079904 491716535 /nfs/dbraw/zinc/71/65/35/491716535.db2.gz IOALYHFTMLGIMY-AWEZNQCLSA-N 2 0 370.461 0.602 10 0 FCAERP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580172867 491720310 /nfs/dbraw/zinc/72/03/10/491720310.db2.gz GVKDDYBSCBOTPH-MJBXVCDLSA-N 2 0 363.428 0.464 10 0 FCAERP COc1cnccc1[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000580733578 491743532 /nfs/dbraw/zinc/74/35/32/491743532.db2.gz VOFPRQWVVPOWHG-AWEZNQCLSA-N 2 0 365.478 0.219 10 0 FCAERP CC1CC[NH+](CCNC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000668498967 493364515 /nfs/dbraw/zinc/36/45/15/493364515.db2.gz YWPCOLHYBKMSGL-KRWDZBQOSA-N 2 0 368.522 0.404 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000582487145 491814515 /nfs/dbraw/zinc/81/45/15/491814515.db2.gz XOVVABAANUIVJP-QAPCUYQASA-N 2 0 358.486 0.919 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC000583020297 491836279 /nfs/dbraw/zinc/83/62/79/491836279.db2.gz SYSCYMKCTVHHEV-ZIAGYGMSSA-N 2 0 368.428 0.268 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC000583020294 491836370 /nfs/dbraw/zinc/83/63/70/491836370.db2.gz SYSCYMKCTVHHEV-KBPBESRZSA-N 2 0 368.428 0.268 10 0 FCAERP NC(=O)CSCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000583563839 491847471 /nfs/dbraw/zinc/84/74/71/491847471.db2.gz GMCCIFWMXAWKON-UHFFFAOYSA-N 2 0 350.488 0.315 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000584076123 491858084 /nfs/dbraw/zinc/85/80/84/491858084.db2.gz MACFNCSTYPEVFK-DJIMGWMZSA-N 2 0 368.522 0.327 10 0 FCAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000584111798 491858845 /nfs/dbraw/zinc/85/88/45/491858845.db2.gz WLPFKKCZAPVADR-CVEARBPZSA-N 2 0 364.494 0.776 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000611837915 491877476 /nfs/dbraw/zinc/87/74/76/491877476.db2.gz BYPCDUTZMVNHRM-MRXNPFEDSA-N 2 0 350.507 0.966 10 0 FCAERP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)NC(=O)NCC(F)(F)F ZINC000600768899 491881143 /nfs/dbraw/zinc/88/11/43/491881143.db2.gz ZPCWPMQZLRTRSA-LBPRGKRZSA-N 2 0 366.384 0.465 10 0 FCAERP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000612541251 491930770 /nfs/dbraw/zinc/93/07/70/491930770.db2.gz BZDTXPWJVWRIPU-JKSUJKDBSA-N 2 0 354.495 0.156 10 0 FCAERP C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000614067770 492012664 /nfs/dbraw/zinc/01/26/64/492012664.db2.gz IRKHVMNHCOUOBQ-IBGZPJMESA-N 2 0 361.490 0.362 10 0 FCAERP C[NH+](C)C[C@@]1(O)CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000614067746 492013063 /nfs/dbraw/zinc/01/30/63/492013063.db2.gz ILJZTBOLWUKTRL-IBGZPJMESA-N 2 0 353.507 0.937 10 0 FCAERP CN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604668776 492067668 /nfs/dbraw/zinc/06/76/68/492067668.db2.gz KXSCHDPXCHUPEY-FUHWJXTLSA-N 2 0 365.522 0.271 10 0 FCAERP C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000615271736 492084169 /nfs/dbraw/zinc/08/41/69/492084169.db2.gz YEBOLTUICWQORD-ZWKOTPCHSA-N 2 0 373.501 0.769 10 0 FCAERP CCN(C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1)[C@H]1CC[N@H+](C)C1 ZINC000617554381 492175566 /nfs/dbraw/zinc/17/55/66/492175566.db2.gz APTHYZCIVOEUEA-BBWFWOEESA-N 2 0 350.507 0.872 10 0 FCAERP COC(=O)[C@]1(OC)CC[NH+](C/C=C\C[N@H+]2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC000599559415 492186935 /nfs/dbraw/zinc/18/69/35/492186935.db2.gz VCFJKYMTHKNUFD-SLXDBMQSSA-N 2 0 370.446 0.070 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCOCC1 ZINC000627455248 492302241 /nfs/dbraw/zinc/30/22/41/492302241.db2.gz PSCLFIBRZSARMK-OAHLLOKOSA-N 2 0 352.479 0.087 10 0 FCAERP 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C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000655967518 492500340 /nfs/dbraw/zinc/50/03/40/492500340.db2.gz XOBRQCXYCHPRTO-XQQFMLRXSA-N 2 0 351.417 0.462 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000649234656 492514286 /nfs/dbraw/zinc/51/42/86/492514286.db2.gz KDWKLCKMDXVHGZ-GDBMZVCRSA-N 2 0 368.547 0.782 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000656024699 492520328 /nfs/dbraw/zinc/52/03/28/492520328.db2.gz SVIJDAIVVFRCAN-UKTXCLCTSA-N 2 0 362.518 0.713 10 0 FCAERP C[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024853 492520339 /nfs/dbraw/zinc/52/03/39/492520339.db2.gz SPOMJQGPWTUUPU-KFWWJZLASA-N 2 0 354.495 0.106 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000656039559 492522071 /nfs/dbraw/zinc/52/20/71/492522071.db2.gz DGZQRVFRNDBIMS-WCXIOVBPSA-N 2 0 350.507 0.824 10 0 FCAERP 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C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000656286156 492570248 /nfs/dbraw/zinc/57/02/48/492570248.db2.gz LHYSCEZSNCINMF-OKZBNKHCSA-N 2 0 358.486 0.834 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656296787 492575189 /nfs/dbraw/zinc/57/51/89/492575189.db2.gz OGSWQTOGHGRTFP-IAGOWNOFSA-N 2 0 366.506 0.348 10 0 FCAERP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656302975 492578226 /nfs/dbraw/zinc/57/82/26/492578226.db2.gz OBLMNYDSGSKOQZ-FPCVCCKLSA-N 2 0 356.511 0.447 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC([C@H](C)CO)CC2)C1 ZINC000649804798 492584593 /nfs/dbraw/zinc/58/45/93/492584593.db2.gz INQRQQZQPVWDMG-AEFFLSMTSA-N 2 0 355.523 0.800 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000656322311 492592770 /nfs/dbraw/zinc/59/27/70/492592770.db2.gz LOSXSNIIYZRMIE-MAEOIBBWSA-N 2 0 373.501 0.871 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC1=O ZINC000650557826 492649913 /nfs/dbraw/zinc/64/99/13/492649913.db2.gz VLLWSZLFIPUHSA-UHFFFAOYSA-N 2 0 353.511 0.666 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1=O ZINC000650642692 492657507 /nfs/dbraw/zinc/65/75/07/492657507.db2.gz IZEQORQIRNFQCK-HNNXBMFYSA-N 2 0 367.519 0.766 10 0 FCAERP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629590512 492657681 /nfs/dbraw/zinc/65/76/81/492657681.db2.gz JNBXIWAGSHJUFC-WMLDXEAASA-N 2 0 366.506 0.202 10 0 FCAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650730861 492664835 /nfs/dbraw/zinc/66/48/35/492664835.db2.gz JLMVJWACMREFBJ-CVEARBPZSA-N 2 0 353.511 0.522 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000629806337 492682181 /nfs/dbraw/zinc/68/21/81/492682181.db2.gz WEJXCGYZQZZPDI-UHFFFAOYSA-N 2 0 366.506 0.287 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC1=O ZINC000651031332 492696983 /nfs/dbraw/zinc/69/69/83/492696983.db2.gz QDRPFRYRQDKVKU-UHFFFAOYSA-N 2 0 353.511 0.524 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cc(Cl)cnc1N ZINC000657071585 492709031 /nfs/dbraw/zinc/70/90/31/492709031.db2.gz RKXKYSYMLPFHQX-NSHDSACASA-N 2 0 363.915 0.868 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@]1(O)CCOC1 ZINC000651281575 492734356 /nfs/dbraw/zinc/73/43/56/492734356.db2.gz ZFWJOWLVBKNMHM-FUHWJXTLSA-N 2 0 356.511 0.585 10 0 FCAERP O=S(=O)(CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)N1CCSCC1 ZINC000657354499 492750232 /nfs/dbraw/zinc/75/02/32/492750232.db2.gz WVRWWDAOZOYLFZ-UHFFFAOYSA-N 2 0 367.500 0.736 10 0 FCAERP Cc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c(O[C@@H]2CCOC2)c1 ZINC000644589969 492789400 /nfs/dbraw/zinc/78/94/00/492789400.db2.gz NMYQPUWUUKGSCI-RTBURBONSA-N 2 0 363.502 0.861 10 0 FCAERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000631063329 492795844 /nfs/dbraw/zinc/79/58/44/492795844.db2.gz CBVITGAFJDMNNN-QGZVFWFLSA-N 2 0 350.511 0.678 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000657839092 492801362 /nfs/dbraw/zinc/80/13/62/492801362.db2.gz LNELWUWBTTVJSG-UHFFFAOYSA-N 2 0 362.474 0.650 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000625552301 492818474 /nfs/dbraw/zinc/81/84/74/492818474.db2.gz NOVLHNVABDGHFW-WBVHZDCISA-N 2 0 350.507 0.920 10 0 FCAERP CC(C)[C@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)N1CCOCC1 ZINC000645129566 492870401 /nfs/dbraw/zinc/87/04/01/492870401.db2.gz YVWZAVBAWDNUOB-HOTGVXAUSA-N 2 0 369.510 0.105 10 0 FCAERP C[C@H]([NH3+])c1ccc(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)cc1 ZINC000631907106 492874565 /nfs/dbraw/zinc/87/45/65/492874565.db2.gz DHWMNPRTCRAPNE-HNNXBMFYSA-N 2 0 354.520 0.763 10 0 FCAERP CC[NH+](CC)[C@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000631912572 492879092 /nfs/dbraw/zinc/87/90/92/492879092.db2.gz PPZKKHRMZSEFHY-ROUUACIJSA-N 2 0 369.531 0.847 10 0 FCAERP CC[NH+](CC)[C@@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000631912570 492879257 /nfs/dbraw/zinc/87/92/57/492879257.db2.gz PPZKKHRMZSEFHY-MSOLQXFVSA-N 2 0 369.531 0.847 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000631942951 492893717 /nfs/dbraw/zinc/89/37/17/492893717.db2.gz JTTWSCVOOUUEBV-IAGOWNOFSA-N 2 0 358.552 0.418 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000652225231 492896208 /nfs/dbraw/zinc/89/62/08/492896208.db2.gz TYQBDGAUCRPDSJ-KRWDZBQOSA-N 2 0 367.538 0.818 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000631950563 492896503 /nfs/dbraw/zinc/89/65/03/492896503.db2.gz KZJFQVGDPBYQCV-ULQDDVLXSA-N 2 0 369.487 0.049 10 0 FCAERP O=S(=O)(NC1CC1)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000652340857 492912106 /nfs/dbraw/zinc/91/21/06/492912106.db2.gz JQWRAJYDNOUJKA-QGZVFWFLSA-N 2 0 364.515 0.607 10 0 FCAERP C[C@@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)[C@@H]1CC[NH3+] ZINC000652354534 492914270 /nfs/dbraw/zinc/91/42/70/492914270.db2.gz BIVXLUWICFFOQM-ZIAGYGMSSA-N 2 0 362.478 0.273 10 0 FCAERP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000658519916 492924790 /nfs/dbraw/zinc/92/47/90/492924790.db2.gz BOZMEOFHLYGLFQ-KRWDZBQOSA-N 2 0 368.522 0.498 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000658525804 492928163 /nfs/dbraw/zinc/92/81/63/492928163.db2.gz JEJRZZMUIUMNFW-IRXDYDNUSA-N 2 0 366.506 0.252 10 0 FCAERP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000658576756 492964426 /nfs/dbraw/zinc/96/44/26/492964426.db2.gz JOEOXANYHKEKFR-INIZCTEOSA-N 2 0 368.522 0.281 10 0 FCAERP CCO[C@@H]1CN(C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)C[C@H]1C[NH3+] ZINC000652600344 492970205 /nfs/dbraw/zinc/97/02/05/492970205.db2.gz BWSWTDJLRZDKEH-UKRRQHHQSA-N 2 0 350.467 0.399 10 0 FCAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)Nc1cnn(-c3cc[nH+]cc3)c1)C2 ZINC000652629349 492973372 /nfs/dbraw/zinc/97/33/72/492973372.db2.gz HTLLMKBMGUUTNY-UGSOOPFHSA-N 2 0 354.414 0.793 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000652640972 492976008 /nfs/dbraw/zinc/97/60/08/492976008.db2.gz SFXTVAJGVCPFGJ-UHFFFAOYSA-N 2 0 358.446 0.419 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000652666667 492982165 /nfs/dbraw/zinc/98/21/65/492982165.db2.gz OQVJKAMBQWYLIE-UHFFFAOYSA-N 2 0 354.495 0.204 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)NCCC2(C[NH3+])CC2)[NH+](C)C)c1 ZINC000652666410 492982543 /nfs/dbraw/zinc/98/25/43/492982543.db2.gz GRBGLULUXAQMNF-INIZCTEOSA-N 2 0 362.474 0.659 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000652689261 492991230 /nfs/dbraw/zinc/99/12/30/492991230.db2.gz RQWXFLWVGWVQDG-UHFFFAOYSA-N 2 0 359.474 0.659 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000652693043 492992182 /nfs/dbraw/zinc/99/21/82/492992182.db2.gz KOBINRGPQDEHBJ-UHFFFAOYSA-N 2 0 366.506 0.204 10 0 FCAERP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)C2)CC1 ZINC000645978174 492994905 /nfs/dbraw/zinc/99/49/05/492994905.db2.gz WCIRWUNJDPNZBT-CNVJLJKISA-N 2 0 364.534 0.804 10 0 FCAERP [NH3+]C[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(F)cc1 ZINC000646009526 493001242 /nfs/dbraw/zinc/00/12/42/493001242.db2.gz PJOUHMFNWCPXMO-ZWKOTPCHSA-N 2 0 364.465 0.391 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000652720506 493002833 /nfs/dbraw/zinc/00/28/33/493002833.db2.gz GHWUUZZKLAGXQI-ZWKOTPCHSA-N 2 0 358.486 0.965 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C[C@H]1C[NH3+] ZINC000652728420 493006723 /nfs/dbraw/zinc/00/67/23/493006723.db2.gz KNLMANWDBNWNNZ-IXDOHACOSA-N 2 0 366.506 0.286 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632493925 493010933 /nfs/dbraw/zinc/01/09/33/493010933.db2.gz NOXVYBNQBTWEGC-UHFFFAOYSA-N 2 0 368.522 0.500 10 0 FCAERP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000626795282 493020455 /nfs/dbraw/zinc/02/04/55/493020455.db2.gz RDWZGYIBDMRWAO-JKSUJKDBSA-N 2 0 358.442 0.850 10 0 FCAERP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000626803008 493021732 /nfs/dbraw/zinc/02/17/32/493021732.db2.gz GXGMKNIXRVVCAY-MRXNPFEDSA-N 2 0 358.442 0.708 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000626863460 493040841 /nfs/dbraw/zinc/04/08/41/493040841.db2.gz ILIRCKRUGTYDTM-LSDHHAIUSA-N 2 0 366.437 0.961 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000626871099 493042917 /nfs/dbraw/zinc/04/29/17/493042917.db2.gz IXWGLDXSIYBTIP-UHFFFAOYSA-N 2 0 350.463 0.690 10 0 FCAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658757674 493043938 /nfs/dbraw/zinc/04/39/38/493043938.db2.gz MWNSOBKVZLRLCN-CVEARBPZSA-N 2 0 354.495 0.108 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000626874906 493044644 /nfs/dbraw/zinc/04/46/44/493044644.db2.gz TWQIFHQRDYHZCK-UHFFFAOYSA-N 2 0 372.469 0.942 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626890431 493052121 /nfs/dbraw/zinc/05/21/21/493052121.db2.gz LSFGJRKRMREXLA-ZIAGYGMSSA-N 2 0 362.478 0.735 10 0 FCAERP CN(CCOCC[NH3+])C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000626897331 493056282 /nfs/dbraw/zinc/05/62/82/493056282.db2.gz WSWIFPJJZWJJRR-OAHLLOKOSA-N 2 0 364.446 0.444 10 0 FCAERP CCC(CC)[C@H](CNC(=O)NCC1([NH3+])CCOCC1)[NH+]1CCOCC1 ZINC000626929566 493066015 /nfs/dbraw/zinc/06/60/15/493066015.db2.gz OMICHTAMRLDBLE-INIZCTEOSA-N 2 0 356.511 0.931 10 0 FCAERP C[NH+](C)CCOc1ccc(CNC(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC000626931574 493066284 /nfs/dbraw/zinc/06/62/84/493066284.db2.gz JIUWYZOYMFQPOQ-UHFFFAOYSA-N 2 0 350.463 0.934 10 0 FCAERP C[NH+]1CCN(c2cc(CNC(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)ccn2)CC1 ZINC000626932742 493066588 /nfs/dbraw/zinc/06/65/88/493066588.db2.gz ZVTYIIVWBVCAHV-BGYRXZFFSA-N 2 0 372.517 0.974 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000626971369 493072243 /nfs/dbraw/zinc/07/22/43/493072243.db2.gz GAIXBPREGOYCOG-BMGDILEWSA-N 2 0 373.501 0.934 10 0 FCAERP C[NH2+]CCOCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000627011719 493080392 /nfs/dbraw/zinc/08/03/92/493080392.db2.gz IKWIJEPZVNIWAC-QGZVFWFLSA-N 2 0 350.463 0.288 10 0 FCAERP COC[C@@]1(CNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000627092902 493086998 /nfs/dbraw/zinc/08/69/98/493086998.db2.gz ZDVOLFMEPVGROY-WMZOPIPTSA-N 2 0 354.495 0.555 10 0 FCAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000627113628 493089616 /nfs/dbraw/zinc/08/96/16/493089616.db2.gz FOUAYRCVNFHQQF-NJAFHUGGSA-N 2 0 362.474 0.818 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)CC1 ZINC000633003252 493102112 /nfs/dbraw/zinc/10/21/12/493102112.db2.gz PWOHTJVZFLNECT-GASCZTMLSA-N 2 0 374.489 0.546 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CCO1 ZINC000658927049 493111828 /nfs/dbraw/zinc/11/18/28/493111828.db2.gz LOMUVGVELLZDRW-DLBZAZTESA-N 2 0 364.490 0.028 10 0 FCAERP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000633091511 493121671 /nfs/dbraw/zinc/12/16/71/493121671.db2.gz JFCBGDJQSCNSHY-QGZVFWFLSA-N 2 0 366.506 0.287 10 0 FCAERP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCCCC[C@@H]([NH3+])C3)C2)CC1 ZINC000633098227 493124014 /nfs/dbraw/zinc/12/40/14/493124014.db2.gz CBEXIEPAZGFMLQ-DLBZAZTESA-N 2 0 350.507 0.907 10 0 FCAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000633098100 493124332 /nfs/dbraw/zinc/12/43/32/493124332.db2.gz KCSRHYCGJAWHJC-IRXDYDNUSA-N 2 0 368.522 0.676 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H]1C[NH3+] ZINC000633101739 493125830 /nfs/dbraw/zinc/12/58/30/493125830.db2.gz PMPDGLASSAWIDL-OWYHZJEWSA-N 2 0 370.497 0.630 10 0 FCAERP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633102040 493125874 /nfs/dbraw/zinc/12/58/74/493125874.db2.gz QHROMNGSDIJKKS-MRXNPFEDSA-N 2 0 368.522 0.676 10 0 FCAERP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000633101901 493126115 /nfs/dbraw/zinc/12/61/15/493126115.db2.gz DTOHPDZFGLQUHY-DLBZAZTESA-N 2 0 366.506 0.287 10 0 FCAERP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000633104134 493127118 /nfs/dbraw/zinc/12/71/18/493127118.db2.gz CNPMKMXUBABIKV-INIZCTEOSA-N 2 0 350.507 0.921 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)C3(C(=O)N4CC[C@H]5C[N@@H+](C)C[C@@H]54)CCC3)[C@@H]2C1 ZINC000646923748 493127361 /nfs/dbraw/zinc/12/73/61/493127361.db2.gz ZDXBARRALMGJJR-WNKDZCFJSA-N 2 0 360.502 0.482 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000633118160 493133210 /nfs/dbraw/zinc/13/32/10/493133210.db2.gz NPNHCINSPWGJIX-HRCADAONSA-N 2 0 350.507 0.905 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633120859 493133818 /nfs/dbraw/zinc/13/38/18/493133818.db2.gz VIJWQBLVSBKJDQ-HUUCEWRRSA-N 2 0 352.479 0.038 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627293703 493137335 /nfs/dbraw/zinc/13/73/35/493137335.db2.gz ZUGMPRQHYVRVSJ-SJORKVTESA-N 2 0 358.486 0.676 10 0 FCAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627295575 493138423 /nfs/dbraw/zinc/13/84/23/493138423.db2.gz IIEMHCPJUMOMPZ-OAHLLOKOSA-N 2 0 368.522 0.627 10 0 FCAERP C[C@H](CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[NH+]1CCCC1 ZINC000659070903 493138922 /nfs/dbraw/zinc/13/89/22/493138922.db2.gz DHKRHZXCNLMKRV-RHSMWYFYSA-N 2 0 360.458 0.887 10 0 FCAERP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCCO1 ZINC000627296691 493139279 /nfs/dbraw/zinc/13/92/79/493139279.db2.gz PACXENOOVAYXDH-HUUCEWRRSA-N 2 0 352.479 0.004 10 0 FCAERP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCCO1 ZINC000627296245 493139290 /nfs/dbraw/zinc/13/92/90/493139290.db2.gz AYZXBHOPXQIPDC-LZQZEXGQSA-N 2 0 366.506 0.062 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C[NH2+]1 ZINC000627296984 493139345 /nfs/dbraw/zinc/13/93/45/493139345.db2.gz YYJLEEAYOWWZML-FHLIZLRMSA-N 2 0 374.485 0.126 10 0 FCAERP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659075427 493141230 /nfs/dbraw/zinc/14/12/30/493141230.db2.gz WYHRJAUCPMSGKC-KRWDZBQOSA-N 2 0 360.458 0.839 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000627301761 493142245 /nfs/dbraw/zinc/14/22/45/493142245.db2.gz OBHHYXLYRMHTAN-YJBOKZPZSA-N 2 0 356.511 0.308 10 0 FCAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000659076923 493142353 /nfs/dbraw/zinc/14/23/53/493142353.db2.gz BTRMLDFLRQYRRB-QZTJIDSGSA-N 2 0 372.469 0.983 10 0 FCAERP C[C@@H]1CCC[C@](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)([NH+](C)C)C1 ZINC000627301964 493142438 /nfs/dbraw/zinc/14/24/38/493142438.db2.gz UHZIVXWPOYCSGW-KDOFPFPSSA-N 2 0 354.495 0.237 10 0 FCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627311668 493145772 /nfs/dbraw/zinc/14/57/72/493145772.db2.gz FAEJBVOLGNBUIZ-NVXWUHKLSA-N 2 0 374.485 0.562 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627312405 493146878 /nfs/dbraw/zinc/14/68/78/493146878.db2.gz XUNKQOYCDYZUCF-XHSDSOJGSA-N 2 0 356.511 0.163 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C[NH2+]1 ZINC000627325823 493154688 /nfs/dbraw/zinc/15/46/88/493154688.db2.gz VNPFXXXEFLCMAB-ZBFHGGJFSA-N 2 0 362.474 0.500 10 0 FCAERP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000647085748 493160289 /nfs/dbraw/zinc/16/02/89/493160289.db2.gz VFMAUQPKUIYXJB-DAWZGUTISA-N 2 0 360.506 0.754 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CCO1 ZINC000659114661 493161083 /nfs/dbraw/zinc/16/10/83/493161083.db2.gz QAGTYMCJZDSRQS-INIZCTEOSA-N 2 0 374.485 0.840 10 0 FCAERP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000627350679 493168925 /nfs/dbraw/zinc/16/89/25/493168925.db2.gz ZGUZTKWZCJYZPA-KRWDZBQOSA-N 2 0 371.485 0.563 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000627357498 493175096 /nfs/dbraw/zinc/17/50/96/493175096.db2.gz HTYVGBXJCQCFMB-YJBOKZPZSA-N 2 0 358.486 0.808 10 0 FCAERP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cn2)CC1 ZINC000659433578 493176890 /nfs/dbraw/zinc/17/68/90/493176890.db2.gz MYWLXLKUSFYZCB-HZPDHXFCSA-N 2 0 364.469 0.804 10 0 FCAERP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCC12CC(C1)C[NH2+]2 ZINC000659450449 493182027 /nfs/dbraw/zinc/18/20/27/493182027.db2.gz AKQRJXOEZAOPEG-UHFFFAOYSA-N 2 0 373.505 0.430 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000659493673 493196716 /nfs/dbraw/zinc/19/67/16/493196716.db2.gz AJZSMKWKIWNFII-WTXIUTQJSA-N 2 0 353.511 0.743 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[NH2+]1 ZINC000627394024 493200417 /nfs/dbraw/zinc/20/04/17/493200417.db2.gz UKVIWDOMSPFHBX-CJNGLKHVSA-N 2 0 350.438 0.630 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000627397858 493202463 /nfs/dbraw/zinc/20/24/63/493202463.db2.gz XMUJOVBAVLQNPQ-FFZOFVMBSA-N 2 0 358.486 0.864 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000627404791 493204786 /nfs/dbraw/zinc/20/47/86/493204786.db2.gz OAOASAJAKLQKMV-HUUCEWRRSA-N 2 0 352.479 0.086 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000627415874 493209293 /nfs/dbraw/zinc/20/92/93/493209293.db2.gz CJBPECUVIJBIDY-UHFFFAOYSA-N 2 0 352.479 0.087 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659627531 493222976 /nfs/dbraw/zinc/22/29/76/493222976.db2.gz WTZBKXXCGCHAEZ-ZBFHGGJFSA-N 2 0 353.511 0.746 10 0 FCAERP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000666924429 493237647 /nfs/dbraw/zinc/23/76/47/493237647.db2.gz FPJICKBQUMRFFW-CVEARBPZSA-N 2 0 355.527 0.862 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666977718 493244119 /nfs/dbraw/zinc/24/41/19/493244119.db2.gz HLHDURCCLKBZMA-IRXDYDNUSA-N 2 0 354.495 0.386 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000659674672 493245292 /nfs/dbraw/zinc/24/52/92/493245292.db2.gz NVMREFZHLDHHQI-CMVHYPBASA-N 2 0 356.470 0.889 10 0 FCAERP CCc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000659675039 493245526 /nfs/dbraw/zinc/24/55/26/493245526.db2.gz QJMWBWFSIOIXHE-ZACQAIPSSA-N 2 0 364.465 0.866 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666978845 493245556 /nfs/dbraw/zinc/24/55/56/493245556.db2.gz GYXRTXFDSPIHNY-QGZVFWFLSA-N 2 0 355.527 0.422 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000659678992 493246963 /nfs/dbraw/zinc/24/69/63/493246963.db2.gz QQURGPFJWNKHDS-MRXNPFEDSA-N 2 0 352.454 0.993 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000659679104 493247095 /nfs/dbraw/zinc/24/70/95/493247095.db2.gz RMIYRSAYVQMCDC-PVAVHDDUSA-N 2 0 350.507 0.824 10 0 FCAERP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659679285 493247747 /nfs/dbraw/zinc/24/77/47/493247747.db2.gz UCJWEROLWMDJGA-MPQSDHOMSA-N 2 0 370.497 0.883 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[C@@H](C)C1 ZINC000659683379 493250887 /nfs/dbraw/zinc/25/08/87/493250887.db2.gz XJWQQCOQVWZIJH-QCTRZYONSA-N 2 0 366.506 0.189 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC[C@H]1F ZINC000659691727 493255931 /nfs/dbraw/zinc/25/59/31/493255931.db2.gz KNVYHBSDDVTDII-IAGOWNOFSA-N 2 0 362.449 0.796 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659693734 493256972 /nfs/dbraw/zinc/25/69/72/493256972.db2.gz JYKPPUKQYJCEQL-TYJOOELLSA-N 2 0 370.497 0.881 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659695448 493257705 /nfs/dbraw/zinc/25/77/05/493257705.db2.gz XRQHVNOLTAPKCF-HFTRVMKXSA-N 2 0 362.518 0.824 10 0 FCAERP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000682049518 493265565 /nfs/dbraw/zinc/26/55/65/493265565.db2.gz NKHLEOVDOHUWAH-AWEZNQCLSA-N 2 0 352.483 0.754 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CCO1 ZINC000659709550 493266043 /nfs/dbraw/zinc/26/60/43/493266043.db2.gz KQOLRUYMGVAFHF-HNNXBMFYSA-N 2 0 354.495 0.333 10 0 FCAERP c1cnc(NCC[N@@H+]2CCCOCC2)c(NCC[NH+]2CCCOCC2)n1 ZINC000682081847 493268134 /nfs/dbraw/zinc/26/81/34/493268134.db2.gz YYXSCYOLLVEOHP-UHFFFAOYSA-N 2 0 364.494 0.745 10 0 FCAERP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000659716495 493269375 /nfs/dbraw/zinc/26/93/75/493269375.db2.gz WSKWWYINXNMRSC-CVEARBPZSA-N 2 0 366.506 0.380 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000659717375 493269494 /nfs/dbraw/zinc/26/94/94/493269494.db2.gz GOXQSABGUJIZED-SJORKVTESA-N 2 0 368.522 0.579 10 0 FCAERP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000659739773 493280577 /nfs/dbraw/zinc/28/05/77/493280577.db2.gz ZXRJHZWRTICPNJ-SJORKVTESA-N 2 0 350.507 0.825 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000659741691 493281550 /nfs/dbraw/zinc/28/15/50/493281550.db2.gz MPMXQDYAOZCATP-UHFFFAOYSA-N 2 0 362.518 0.969 10 0 FCAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742801 493282090 /nfs/dbraw/zinc/28/20/90/493282090.db2.gz JDCHCQWTSBQUNK-UHFFFAOYSA-N 2 0 350.488 0.507 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000659744317 493282583 /nfs/dbraw/zinc/28/25/83/493282583.db2.gz ITGRKMVLYSPPJQ-GOEBONIOSA-N 2 0 354.495 0.188 10 0 FCAERP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)C2)CC1 ZINC000659743298 493282796 /nfs/dbraw/zinc/28/27/96/493282796.db2.gz GECUPMJFOOKJGA-ZRZPHAQCSA-N 2 0 362.518 0.825 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000667812643 493303003 /nfs/dbraw/zinc/30/30/03/493303003.db2.gz SHYWLPXUIMORTR-LSDHHAIUSA-N 2 0 363.510 0.085 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)cn1 ZINC000683050336 493332025 /nfs/dbraw/zinc/33/20/25/493332025.db2.gz SATBYMNMHHRWQZ-UHFFFAOYSA-N 2 0 364.494 0.621 10 0 FCAERP C[NH+](C/C=C/C[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000660648783 493369705 /nfs/dbraw/zinc/36/97/05/493369705.db2.gz WZVGTUKSTTXHHO-RQXAKAKKSA-N 2 0 364.534 0.352 10 0 FCAERP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000668610254 493383697 /nfs/dbraw/zinc/38/36/97/493383697.db2.gz RCUATLBCLRRKEG-ROUUACIJSA-N 2 0 360.502 0.876 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](Cn3ccnn3)C2)C1 ZINC000661146373 493412683 /nfs/dbraw/zinc/41/26/83/493412683.db2.gz KMCXLQLAVODXQP-SJORKVTESA-N 2 0 364.494 0.073 10 0 FCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668795278 493412868 /nfs/dbraw/zinc/41/28/68/493412868.db2.gz YDXMIVZUMQBFTE-DLBZAZTESA-N 2 0 366.506 0.035 10 0 FCAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000685122587 493449501 /nfs/dbraw/zinc/44/95/01/493449501.db2.gz FMJXUALWMMEKBO-YJBOKZPZSA-N 2 0 373.501 0.934 10 0 FCAERP CCN(C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CC[N@H+](C)C1 ZINC000669070155 493460492 /nfs/dbraw/zinc/46/04/92/493460492.db2.gz VNOZNBNQPVHYSI-GOSISDBHSA-N 2 0 372.513 0.754 10 0 FCAERP CCN(C(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[C@H]1CC[N@H+](C)C1 ZINC000669222908 493478887 /nfs/dbraw/zinc/47/88/87/493478887.db2.gz CTVPLQGNBCQZEF-KRWDZBQOSA-N 2 0 364.465 0.926 10 0 FCAERP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662251409 493500027 /nfs/dbraw/zinc/50/00/27/493500027.db2.gz BTHJEDLUVHNVMR-KRWDZBQOSA-N 3 0 366.550 0.923 10 0 FCAERP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297189 493504824 /nfs/dbraw/zinc/50/48/24/493504824.db2.gz OHDCMARSVFTBKO-GOEBONIOSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CCO1 ZINC000669502155 493508184 /nfs/dbraw/zinc/50/81/84/493508184.db2.gz IIJFIRAWCTUWJK-IRXDYDNUSA-N 2 0 367.538 0.694 10 0 FCAERP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cn1 ZINC000662476898 493518943 /nfs/dbraw/zinc/51/89/43/493518943.db2.gz VLEZUQATYSHVGI-QGZVFWFLSA-N 2 0 370.457 0.734 10 0 FCAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676092343 493523521 /nfs/dbraw/zinc/52/35/21/493523521.db2.gz DPAYZNOHJCHOOI-CABCVRRESA-N 2 0 364.494 0.620 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000662742004 493535900 /nfs/dbraw/zinc/53/59/00/493535900.db2.gz KWGKGAHOXFEZIA-GOSISDBHSA-N 2 0 358.486 0.980 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNC(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662756646 493539466 /nfs/dbraw/zinc/53/94/66/493539466.db2.gz IUKSWSGICFLCKG-UHFFFAOYSA-N 2 0 358.446 0.945 10 0 FCAERP [NH3+]C1(CNC(=O)C[C@]2(C(=O)NCC3([NH3+])CCCC3)CC[NH2+]C2)CCCC1 ZINC000662862912 493547865 /nfs/dbraw/zinc/54/78/65/493547865.db2.gz HLCCYMYGTJZXCD-QGZVFWFLSA-N 3 0 365.522 0.132 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC[C@H]1F ZINC000662925005 493554367 /nfs/dbraw/zinc/55/43/67/493554367.db2.gz DAKYOZKEWZDZFB-IAGOWNOFSA-N 2 0 368.497 0.999 10 0 FCAERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662925174 493554502 /nfs/dbraw/zinc/55/45/02/493554502.db2.gz OKQPPSAZFQIKST-UHFFFAOYSA-N 2 0 362.449 0.666 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[C@H]1F ZINC000662929657 493554823 /nfs/dbraw/zinc/55/48/23/493554823.db2.gz DEQBEUWRRWKIFQ-BRWVUGGUSA-N 2 0 368.497 0.999 10 0 FCAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662930021 493555374 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COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](O)COc1ccc(F)cc1)C2 ZINC000923429059 667833762 /nfs/dbraw/zinc/83/37/62/667833762.db2.gz NZFWYAZZTIOMNZ-OGIUKLMXSA-N 2 0 352.406 0.778 10 0 FCAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC2 ZINC000923448515 667836382 /nfs/dbraw/zinc/83/63/82/667836382.db2.gz DOGTVNNAMDIWCV-LLVKDONJSA-N 2 0 366.384 0.594 10 0 FCAERP COC(=O)C1CCN(C(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000923449790 667837009 /nfs/dbraw/zinc/83/70/09/667837009.db2.gz CGRSZKMVRYJNMH-OAHLLOKOSA-N 2 0 353.463 0.228 10 0 FCAERP CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1)C(=O)OC ZINC000923450987 667837317 /nfs/dbraw/zinc/83/73/17/667837317.db2.gz KDWHNHVIJAMRSS-SQWLQELKSA-N 2 0 355.479 0.520 10 0 FCAERP C[C@@H]1CN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1C[NH3+] ZINC000923494440 667841280 /nfs/dbraw/zinc/84/12/80/667841280.db2.gz MXHRYXMJVSZIEQ-UKRRQHHQSA-N 2 0 353.488 0.623 10 0 FCAERP O=C(CC[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1)N1CC[NH2+]CC1 ZINC000923550385 667848748 /nfs/dbraw/zinc/84/87/48/667848748.db2.gz XCIQVVSZVQYURN-UHFFFAOYSA-N 2 0 372.535 0.088 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000923603788 667880711 /nfs/dbraw/zinc/88/07/11/667880711.db2.gz QIZFWARPRNPJCG-INIZCTEOSA-N 2 0 368.503 0.149 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000819007977 668970380 /nfs/dbraw/zinc/97/03/80/668970380.db2.gz RTKKKSFGJCDERU-MRXNPFEDSA-N 2 0 356.511 0.584 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000819038733 668972475 /nfs/dbraw/zinc/97/24/75/668972475.db2.gz KABSNCMGMKKDGP-JKSUJKDBSA-N 2 0 356.511 0.584 10 0 FCAERP CN(C[C@@H](O)C[NH2+]C1CCN(CC[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000819390266 669001153 /nfs/dbraw/zinc/00/11/53/669001153.db2.gz SAOIHFVBEMIBGQ-INIZCTEOSA-N 2 0 358.527 0.830 10 0 FCAERP CS[C@H]1CN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C[C@H]1[NH+](C)C ZINC000867021041 669188721 /nfs/dbraw/zinc/18/87/21/669188721.db2.gz OUSJDSXBADGGBO-MJBXVCDLSA-N 2 0 374.551 0.945 10 0 FCAERP CC(C)Oc1ccc([C@H](O)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000843079035 670773744 /nfs/dbraw/zinc/77/37/44/670773744.db2.gz AZYXBAOJWXXNRJ-PKOBYXMFSA-N 2 0 351.491 0.705 10 0 FCAERP CC(C)Oc1ccc([C@@H](O)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000843079032 670773855 /nfs/dbraw/zinc/77/38/55/670773855.db2.gz AZYXBAOJWXXNRJ-MJGOQNOKSA-N 2 0 351.491 0.705 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000843112350 670775819 /nfs/dbraw/zinc/77/58/19/670775819.db2.gz HMEXDKGRIYOUHA-CVEARBPZSA-N 2 0 372.307 0.680 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1=O ZINC000844901390 670954671 /nfs/dbraw/zinc/95/46/71/670954671.db2.gz DSOLXYAVLPEGBU-UHFFFAOYSA-N 2 0 353.511 0.665 10 0 FCAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000845039324 670960462 /nfs/dbraw/zinc/96/04/62/670960462.db2.gz WMTQULPMLWJGNV-INIZCTEOSA-N 2 0 353.511 0.380 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H](C)S1 ZINC000867410578 671100617 /nfs/dbraw/zinc/10/06/17/671100617.db2.gz AIEKERLCAPOSFR-QKPAOTATSA-N 2 0 370.563 0.537 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)CC[C@@H]21 ZINC000867417740 671104024 /nfs/dbraw/zinc/10/40/24/671104024.db2.gz HPLPNYHAGXLUAZ-CVEARBPZSA-N 2 0 350.507 0.872 10 0 FCAERP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847319270 671182706 /nfs/dbraw/zinc/18/27/06/671182706.db2.gz ORDBVZXHIQUSQC-BBWFWOEESA-N 2 0 352.479 0.090 10 0 FCAERP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852883092 671528895 /nfs/dbraw/zinc/52/88/95/671528895.db2.gz GRRVEJXNHVFVBZ-UONOGXRCSA-N 2 0 354.451 0.356 10 0 FCAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@](C)(O)C(=O)OC)C2)ccn1 ZINC000856584362 671691882 /nfs/dbraw/zinc/69/18/82/671691882.db2.gz IRVGNIKWCXFITG-FUHWJXTLSA-N 2 0 351.447 0.910 10 0 FCAERP C[C@@H](C1CC1)N(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562626 675945328 /nfs/dbraw/zinc/94/53/28/675945328.db2.gz QZBLUHQSMCIDFY-RRQGHBQHSA-N 2 0 356.536 0.862 10 0 FCAERP C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000903574175 675947296 /nfs/dbraw/zinc/94/72/96/675947296.db2.gz UNSFXSLBUQLXMU-HNNXBMFYSA-N 2 0 357.524 0.824 10 0 FCAERP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903719594 675963444 /nfs/dbraw/zinc/96/34/44/675963444.db2.gz PCGYRSJPPYXDDL-OLZOCXBDSA-N 2 0 366.428 0.771 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C[C@H]1C(F)(F)F ZINC000903719526 675963476 /nfs/dbraw/zinc/96/34/76/675963476.db2.gz NEKRUYREHQCIHS-CHWSQXEVSA-N 2 0 362.396 0.421 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C[C@H]1CC[NH3+] ZINC000903728033 675964555 /nfs/dbraw/zinc/96/45/55/675964555.db2.gz DYEACZVMMXOXHV-ZACQAIPSSA-N 2 0 350.507 0.907 10 0 FCAERP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903732186 675964938 /nfs/dbraw/zinc/96/49/38/675964938.db2.gz QIWRAPQPGRDVQK-OLZOCXBDSA-N 2 0 364.412 0.667 10 0 FCAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903746955 675966943 /nfs/dbraw/zinc/96/69/43/675966943.db2.gz IGALLYKSMSOREG-QCNOEVLYSA-N 2 0 350.385 0.133 10 0 FCAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903750962 675967602 /nfs/dbraw/zinc/96/76/02/675967602.db2.gz ZCDROZOJULSRAB-JHJVBQTASA-N 2 0 364.412 0.667 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903754938 675968045 /nfs/dbraw/zinc/96/80/45/675968045.db2.gz VRLGINYOFPXZIS-IJLUTSLNSA-N 2 0 350.385 0.135 10 0 FCAERP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903776810 675972326 /nfs/dbraw/zinc/97/23/26/675972326.db2.gz PUAFFSMVPMIZOX-HZPDHXFCSA-N 2 0 350.507 0.907 10 0 FCAERP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)C2)C1 ZINC000903776678 675972349 /nfs/dbraw/zinc/97/23/49/675972349.db2.gz VGALCKCGPBZTET-JMSVASOKSA-N 2 0 362.396 0.279 10 0 FCAERP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000903785691 675973282 /nfs/dbraw/zinc/97/32/82/675973282.db2.gz LZZPKVXMCVVCBU-SJORKVTESA-N 2 0 350.507 0.777 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC[C@@H]1C(F)(F)F ZINC000903787303 675973325 /nfs/dbraw/zinc/97/33/25/675973325.db2.gz MVKLEFMPASYISU-RWMBFGLXSA-N 2 0 360.380 0.197 10 0 FCAERP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903787699 675973494 /nfs/dbraw/zinc/97/34/94/675973494.db2.gz VOWWQGBLFCPTFP-QWHCGFSZSA-N 2 0 364.412 0.525 10 0 FCAERP C[NH2+]CCN(C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(C)C ZINC000903816552 675976094 /nfs/dbraw/zinc/97/60/94/675976094.db2.gz VTDNGURZHDSZJU-RDJZCZTQSA-N 2 0 350.507 0.918 10 0 FCAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cnn1C ZINC000903883915 675980583 /nfs/dbraw/zinc/98/05/83/675980583.db2.gz MAUUGVFVVAHWJO-NVXWUHKLSA-N 2 0 371.551 0.640 10 0 FCAERP O=S(=O)([C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)N1CCOCC1 ZINC000903909196 675981735 /nfs/dbraw/zinc/98/17/35/675981735.db2.gz RJPXYJZNZKOYPV-NPYXIHBLSA-N 2 0 357.520 0.643 10 0 FCAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cnn1C ZINC000903924494 675983123 /nfs/dbraw/zinc/98/31/23/675983123.db2.gz DVQKWFKSAIHBNH-GXTWGEPZSA-N 2 0 361.412 0.989 10 0 FCAERP C[C@@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1CN(C)CCO1 ZINC000866800010 672307968 /nfs/dbraw/zinc/30/79/68/672307968.db2.gz KWSJUECJIWDXKT-HZSPNIEDSA-N 2 0 358.483 0.277 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCSC(C)(C)C2)C[C@H]1C[NH+](C)C ZINC000867491832 672325200 /nfs/dbraw/zinc/32/52/00/672325200.db2.gz UEPIOYHVLIVWJE-HUUCEWRRSA-N 2 0 370.563 0.538 10 0 FCAERP CSCC[C@@H](C)N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867503557 672327253 /nfs/dbraw/zinc/32/72/53/672327253.db2.gz MPLKQCXQRHBUQI-BZUAXINKSA-N 2 0 372.579 0.784 10 0 FCAERP CC(C)c1nc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c[nH]1 ZINC000867588871 672342939 /nfs/dbraw/zinc/34/29/39/672342939.db2.gz HSMHDAKYEFXRQY-ZIAGYGMSSA-N 2 0 357.524 0.893 10 0 FCAERP COC1(CS(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCCC1 ZINC000867589030 672343172 /nfs/dbraw/zinc/34/31/72/672343172.db2.gz CJZXZOWYCWTSNL-HZPDHXFCSA-N 2 0 361.552 0.947 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccccc2C=O)C[C@H]1C[NH+](C)C ZINC000867590188 672343450 /nfs/dbraw/zinc/34/34/50/672343450.db2.gz WYOVJGWILAIXMH-HZPDHXFCSA-N 2 0 353.488 0.859 10 0 FCAERP CCS(=O)(CC)=NS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867590987 672344054 /nfs/dbraw/zinc/34/40/54/672344054.db2.gz VPUSFMGSOBYWBG-ZIAGYGMSSA-N 2 0 368.569 0.410 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000867662432 672353777 /nfs/dbraw/zinc/35/37/77/672353777.db2.gz OPNVISSPFSZJFU-AWEZNQCLSA-N 2 0 358.483 0.280 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000867707126 672357376 /nfs/dbraw/zinc/35/73/76/672357376.db2.gz GKOKPFLAMHCKAA-HZPDHXFCSA-N 2 0 350.507 0.872 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000868370197 672396271 /nfs/dbraw/zinc/39/62/71/672396271.db2.gz MACSLCXRORSRLM-KXBFYZLASA-N 2 0 350.507 0.905 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCC1(C)C ZINC000868403944 672398747 /nfs/dbraw/zinc/39/87/47/672398747.db2.gz BDJKGUQAVNMQKF-JKSUJKDBSA-N 2 0 350.507 0.777 10 0 FCAERP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@](C[NH3+])(C(C)(C)C)C3)C2)C1 ZINC000868411212 672399220 /nfs/dbraw/zinc/39/92/20/672399220.db2.gz NPTWFDJKFUKLRU-RBUKOAKNSA-N 2 0 350.507 0.764 10 0 FCAERP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868422887 672400311 /nfs/dbraw/zinc/40/03/11/672400311.db2.gz XCLOAJRMPBORTH-IRXDYDNUSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000868757762 672409653 /nfs/dbraw/zinc/40/96/53/672409653.db2.gz CRHJAOLWINVUDK-AWEZNQCLSA-N 2 0 358.483 0.014 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2sccc2S(N)(=O)=O)C[C@H]1C[NH+](C)C ZINC000870017205 672461306 /nfs/dbraw/zinc/46/13/06/672461306.db2.gz JADCEOZBCLWUJW-VXGBXAGGSA-N 2 0 374.532 0.207 10 0 FCAERP Cc1oc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1S(C)(=O)=O ZINC000870016693 672461342 /nfs/dbraw/zinc/46/13/42/672461342.db2.gz UWFAVPGMUISDIK-ZIAGYGMSSA-N 2 0 371.503 0.803 10 0 FCAERP Cn1ncc(Br)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017221 672461394 /nfs/dbraw/zinc/46/13/94/672461394.db2.gz JJFYQEFVFMKMDA-VXGBXAGGSA-N 2 0 372.311 0.994 10 0 FCAERP Cc1nn(C)c(C)c1OCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020063 672461785 /nfs/dbraw/zinc/46/17/85/672461785.db2.gz BFKZTINBFMMOBT-HZPDHXFCSA-N 2 0 351.495 0.614 10 0 FCAERP CCC(=O)N1CSC[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021706 672462166 /nfs/dbraw/zinc/46/21/66/672462166.db2.gz IYASEFZYYPIGAB-KFWWJZLASA-N 2 0 356.536 0.496 10 0 FCAERP C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022952 672462189 /nfs/dbraw/zinc/46/21/89/672462189.db2.gz GBDKBPJDFKCPJT-NUEKZKHPSA-N 2 0 350.463 0.596 10 0 FCAERP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997308 672524596 /nfs/dbraw/zinc/52/45/96/672524596.db2.gz RHSKCIAKCPUIBP-UPJWGTAASA-N 2 0 362.455 0.401 10 0 FCAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998012 672524945 /nfs/dbraw/zinc/52/49/45/672524945.db2.gz CSAVMURCYSXYCQ-GCSSGZNBSA-N 2 0 350.463 0.678 10 0 FCAERP Cn1cnc2c1c(=O)n(CCC[N@H+](C)CCCCCC[NH3+])c(=O)n2C ZINC000872155741 672595423 /nfs/dbraw/zinc/59/54/23/672595423.db2.gz VOMGGVQAOIYFQX-UHFFFAOYSA-N 2 0 350.467 0.275 10 0 FCAERP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872189389 672598249 /nfs/dbraw/zinc/59/82/49/672598249.db2.gz GSAONQWFKUGPTK-STQMWFEESA-N 2 0 364.412 0.526 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@@H]1C(F)(F)F ZINC000872191602 672599848 /nfs/dbraw/zinc/59/98/48/672599848.db2.gz YTYFTCIACBOBHR-AGIUHOORSA-N 2 0 362.396 0.279 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000872192146 672600240 /nfs/dbraw/zinc/60/02/40/672600240.db2.gz FHHSJTMPCSGLIO-YNEHKIRRSA-N 2 0 364.412 0.571 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@H]1C(F)(F)F ZINC000872193908 672601954 /nfs/dbraw/zinc/60/19/54/672601954.db2.gz DBCYBRYKQWREBC-FRRDWIJNSA-N 2 0 360.380 0.055 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)CC[C@@H]21 ZINC000872194803 672602834 /nfs/dbraw/zinc/60/28/34/672602834.db2.gz FNVBASUMPBHQAL-XQHKEYJVSA-N 2 0 362.396 0.135 10 0 FCAERP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000872197202 672604580 /nfs/dbraw/zinc/60/45/80/672604580.db2.gz WFNWZEQOWDXCGL-HUUCEWRRSA-N 2 0 354.470 0.751 10 0 FCAERP CC[NH+](CC)CCN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@@H]1CCS(=O)(=O)C1 ZINC000872291898 672610712 /nfs/dbraw/zinc/61/07/12/672610712.db2.gz VHHAZGQJTFPIAP-DLTWYDFYSA-N 2 0 357.520 0.471 10 0 FCAERP CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875437648 672882257 /nfs/dbraw/zinc/88/22/57/672882257.db2.gz QFOYHLYSORQACM-LVQVYYBASA-N 2 0 353.511 0.282 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCCCS2(=O)=O)C[C@H]1C[NH+](C)C ZINC000875481264 672886754 /nfs/dbraw/zinc/88/67/54/672886754.db2.gz IRLSMDRTZBCYFL-OAGGEKHMSA-N 2 0 374.551 0.335 10 0 FCAERP O=S(=O)(C1CCOCC1)N1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925569996 673793848 /nfs/dbraw/zinc/79/38/48/673793848.db2.gz UDELTFHOQSGASM-MRXNPFEDSA-N 2 0 357.520 0.834 10 0 FCAERP C[C@@H]([NH2+][C@@H]1CNOC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000925863369 673805380 /nfs/dbraw/zinc/80/53/80/673805380.db2.gz AUBLHYMYXDZILW-UKRRQHHQSA-N 2 0 356.492 0.471 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926305103 673821167 /nfs/dbraw/zinc/82/11/67/673821167.db2.gz ZWDLEIHJMHQPDQ-NVXWUHKLSA-N 2 0 350.507 0.764 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC[C@H]1C[NH3+] ZINC000926314270 673821743 /nfs/dbraw/zinc/82/17/43/673821743.db2.gz JTZBUJYIKKGGRX-IXDOHACOSA-N 2 0 350.507 0.907 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)[C@@H](C)C1 ZINC000926349191 673825525 /nfs/dbraw/zinc/82/55/25/673825525.db2.gz ZBKKQRWDQMWETJ-BXWFABGCSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926665358 673838608 /nfs/dbraw/zinc/83/86/08/673838608.db2.gz DFPAFMHHKDFQJT-KCQAQPDRSA-N 2 0 353.488 0.936 10 0 FCAERP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926665359 673838736 /nfs/dbraw/zinc/83/87/36/673838736.db2.gz DFPAFMHHKDFQJT-NFAWXSAZSA-N 2 0 353.488 0.936 10 0 FCAERP COCCOCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000928071836 673897643 /nfs/dbraw/zinc/89/76/43/673897643.db2.gz FAVUIKAOMFWYCX-HOTGVXAUSA-N 2 0 359.536 0.667 10 0 FCAERP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCC(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC000929172319 673942370 /nfs/dbraw/zinc/94/23/70/673942370.db2.gz CYCANGIQAWCPNE-BEFAXECRSA-N 2 0 350.507 0.777 10 0 FCAERP O=C(NCCC[NH+]1CCCCC1)C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000929244831 673945487 /nfs/dbraw/zinc/94/54/87/673945487.db2.gz OWQLPVDCNDMCTE-JKSUJKDBSA-N 2 0 368.547 0.675 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C[NH+](C)C ZINC000929498636 673959406 /nfs/dbraw/zinc/95/94/06/673959406.db2.gz VRQMYEWUGFAGLJ-MRXNPFEDSA-N 2 0 354.495 0.060 10 0 FCAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000929793167 673977384 /nfs/dbraw/zinc/97/73/84/673977384.db2.gz QQNQHXBVMQMCCL-TXPKVOOTSA-N 2 0 350.507 0.633 10 0 FCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000929929198 673985747 /nfs/dbraw/zinc/98/57/47/673985747.db2.gz JMTBLFSOLOCLOD-GDBMZVCRSA-N 2 0 354.495 0.202 10 0 FCAERP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000929929199 673985806 /nfs/dbraw/zinc/98/58/06/673985806.db2.gz JMTBLFSOLOCLOD-GOEBONIOSA-N 2 0 354.495 0.202 10 0 FCAERP CN1CCC([NH+]2CCC(NC(=O)C[C@]3(O)CCC[N@H+](C)C3)CC2)CC1 ZINC000900447074 675682734 /nfs/dbraw/zinc/68/27/34/675682734.db2.gz VRTNSVCSVRHFEU-LJQANCHMSA-N 2 0 352.523 0.508 10 0 FCAERP CC[NH+]1CCC(NC(=O)CON=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000902613378 675864314 /nfs/dbraw/zinc/86/43/14/675864314.db2.gz QLKSBFBZYRAOAK-VHRNVKJDSA-N 2 0 351.495 0.958 10 0 FCAERP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)C[NH+]1CCCCC1 ZINC000120165118 1168193689 /nfs/dbraw/zinc/19/36/89/1168193689.db2.gz KRAWQPLBLIFLIT-HNNXBMFYSA-N 2 0 364.494 0.621 10 0 FCAERP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001719584520 1168459952 /nfs/dbraw/zinc/45/99/52/1168459952.db2.gz VXOUZHMMRAIJSW-KSZLIROESA-N 2 0 364.534 0.977 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001671297806 1169304509 /nfs/dbraw/zinc/30/45/09/1169304509.db2.gz GNBPAIPVTGWAKF-QLFBSQMISA-N 2 0 360.462 0.336 10 0 FCAERP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000581477967 1170365024 /nfs/dbraw/zinc/36/50/24/1170365024.db2.gz QKLPDTWWFKPBQW-SFHVURJKSA-N 2 0 358.486 0.935 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cccnc1-n1ccnc1 ZINC000077773428 1170566708 /nfs/dbraw/zinc/56/67/08/1170566708.db2.gz QTKNWYMVFCLWDE-UHFFFAOYSA-N 2 0 359.478 0.902 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000897559284 1192809228 /nfs/dbraw/zinc/80/92/28/1192809228.db2.gz GSVMZRIQMPTNKM-CABCVRRESA-N 2 0 357.458 0.472 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000898005815 1192853621 /nfs/dbraw/zinc/85/36/21/1192853621.db2.gz JHYSTRWNBYRYMG-BZUAXINKSA-N 2 0 371.485 0.860 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001719683406 1179355493 /nfs/dbraw/zinc/35/54/93/1179355493.db2.gz MIELVMPBHQOWNB-APWZRJJASA-N 2 0 350.507 0.729 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001719683239 1179360308 /nfs/dbraw/zinc/36/03/08/1179360308.db2.gz GPMQIIBPGYSZNZ-MDZRGWNJSA-N 2 0 350.507 0.587 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCC[NH+](C)C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001719683863 1179362325 /nfs/dbraw/zinc/36/23/25/1179362325.db2.gz AONQDBWDAYQOCF-VIPLHTEESA-N 2 0 364.534 0.975 10 0 FCAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001719685612 1179370373 /nfs/dbraw/zinc/37/03/73/1179370373.db2.gz CILNOGBGFGSGAE-MDZRGWNJSA-N 2 0 370.513 0.925 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001719692710 1179422810 /nfs/dbraw/zinc/42/28/10/1179422810.db2.gz JAMDJKJFKJZYDX-QKLQHJQFSA-N 2 0 364.534 0.977 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](Cc2nc(=O)n(C)[nH]2)C(C)C)CC[N@@H+]1C ZINC001267501614 1181372740 /nfs/dbraw/zinc/37/27/40/1181372740.db2.gz SOCVERWXRNMPET-LSDHHAIUSA-N 2 0 366.510 0.555 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001267531257 1181640448 /nfs/dbraw/zinc/64/04/48/1181640448.db2.gz OZUHPCKLVSELCF-QLFBSQMISA-N 2 0 364.494 0.167 10 0 FCAERP C[C@H](NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccco1 ZINC001481232207 1182928079 /nfs/dbraw/zinc/92/80/79/1182928079.db2.gz YFDWGTACVMWDGK-RRFJBIMHSA-N 2 0 350.463 0.845 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]Cc3nc(=O)n(C)[nH]3)CCCC2)CC[N@@H+]1C ZINC001267837698 1183101359 /nfs/dbraw/zinc/10/13/59/1183101359.db2.gz TUSLSAKPVBKBGS-UONOGXRCSA-N 2 0 364.494 0.357 10 0 FCAERP C[NH+](C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001719858790 1186043204 /nfs/dbraw/zinc/04/32/04/1186043204.db2.gz GFMHDGASQAWRIK-PMPSAXMXSA-N 2 0 350.507 0.918 10 0 FCAERP CC[C@H](CO)[NH+]1CCN(CC[C@H](C)N2CC[NH+]([C@H](CC)CO)CC2)CC1 ZINC000245670971 1187511958 /nfs/dbraw/zinc/51/19/58/1187511958.db2.gz CYVYIQDQDSAKMD-XUVXKRRUSA-N 2 0 370.582 0.542 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@](C)(C[NH2+]CCNC(=O)C2CC2)C2CC2)CC[N@@H+]1C ZINC001481932460 1187552167 /nfs/dbraw/zinc/55/21/67/1187552167.db2.gz YOXSRYQDEKOZNX-VVFCZOMOSA-N 2 0 350.507 0.727 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@](C)(C[NH2+]CC(=O)Nc2ccon2)C2CC2)CC[N@@H+]1C ZINC001481932015 1187552219 /nfs/dbraw/zinc/55/22/19/1187552219.db2.gz SVUDOQRYMARBCI-RVZJWNSFSA-N 2 0 363.462 0.828 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH2+]Cc3nnnn3C)CC2)CC[N@@H+]1C ZINC001481998621 1187568684 /nfs/dbraw/zinc/56/86/84/1187568684.db2.gz CZHVPUHHIGAULX-JKSUJKDBSA-N 2 0 363.510 0.659 10 0 FCAERP CCS(=O)(=O)CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482055890 1187593405 /nfs/dbraw/zinc/59/34/05/1187593405.db2.gz MHRKWOCTSLHPRU-BZUAXINKSA-N 2 0 359.536 0.732 10 0 FCAERP Cn1nncc1C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268593828 1187670422 /nfs/dbraw/zinc/67/04/22/1187670422.db2.gz GLGZIBOWUDMITH-KAGICYHLSA-N 2 0 368.485 0.923 10 0 FCAERP CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000550330360 1188338999 /nfs/dbraw/zinc/33/89/99/1188338999.db2.gz WDEGVMYJIXHDNN-KRWDZBQOSA-N 2 0 367.538 0.073 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001270968855 1189453760 /nfs/dbraw/zinc/45/37/60/1189453760.db2.gz VPUPGTPMOYDDJM-QLFBSQMISA-N 2 0 362.478 0.582 10 0 FCAERP C[NH+](C)CCn1c2cc(C(=O)NCCNc3cc[nH+]cc3)ccc2[nH]c1=O ZINC000895798456 1189884648 /nfs/dbraw/zinc/88/46/48/1189884648.db2.gz GFNCWVVELHKPDY-UHFFFAOYSA-N 2 0 368.441 0.962 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)c1 ZINC000896121389 1189966820 /nfs/dbraw/zinc/96/68/20/1189966820.db2.gz FSRTXTMNWYMSOW-SFHVURJKSA-N 2 0 374.485 0.315 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000896121386 1189967479 /nfs/dbraw/zinc/96/74/79/1189967479.db2.gz FSRTXTMNWYMSOW-GOSISDBHSA-N 2 0 374.485 0.315 10 0 FCAERP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1 ZINC000896210403 1190007153 /nfs/dbraw/zinc/00/71/53/1190007153.db2.gz MQCNMFCVWJTRAJ-SFHVURJKSA-N 2 0 374.485 0.315 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH2+]CC[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001271912182 1190758001 /nfs/dbraw/zinc/75/80/01/1190758001.db2.gz PIRVPHLIXGHBNP-ZHALLVOQSA-N 2 0 366.550 0.923 10 0 FCAERP CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2)[NH+](C)C ZINC001719958199 1191235254 /nfs/dbraw/zinc/23/52/54/1191235254.db2.gz LQZAMXRDTJBPEJ-GGXPGOJBSA-N 2 0 350.507 0.918 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000550785221 1193792893 /nfs/dbraw/zinc/79/28/93/1193792893.db2.gz QGNPKJLZPLPAPG-DLBZAZTESA-N 2 0 368.522 0.404 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000552939542 1193959441 /nfs/dbraw/zinc/95/94/41/1193959441.db2.gz PAUMTUNKIFMIGA-BBWFWOEESA-N 2 0 366.506 0.156 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000552939190 1193959795 /nfs/dbraw/zinc/95/97/95/1193959795.db2.gz BXWOIFOWMRMRPA-KRWDZBQOSA-N 2 0 368.522 0.404 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000927342678 1195280700 /nfs/dbraw/zinc/28/07/00/1195280700.db2.gz HTSUIPCXVVAUSY-AWEZNQCLSA-N 2 0 373.498 0.672 10 0 FCAERP C[NH+](C)C1CC(NC(=O)c2cccc(C(=O)NC3CC([NH+](C)C)C3)c2N)C1 ZINC000908012999 1195720713 /nfs/dbraw/zinc/72/07/13/1195720713.db2.gz QSUWGXKUPPREDL-UHFFFAOYSA-N 2 0 373.501 0.914 10 0 FCAERP C[NH+](C)C1CC(NC(=O)c2ccc(C(=O)NC3CC([NH+](C)C)C3)nc2)C1 ZINC000908013090 1195720728 /nfs/dbraw/zinc/72/07/28/1195720728.db2.gz RCHOJMSQHDHMFI-UHFFFAOYSA-N 2 0 359.474 0.726 10 0 FCAERP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)[C@H](C)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912911137 1196384038 /nfs/dbraw/zinc/38/40/38/1196384038.db2.gz ZOZYFATURWSRQL-XLAORIBOSA-N 2 0 362.518 0.872 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccn3)=NO2)C[C@H]1C[NH+](C)C ZINC000913437421 1196430961 /nfs/dbraw/zinc/43/09/61/1196430961.db2.gz QJZXPWOKNKXJIV-RKVPGOIHSA-N 2 0 359.474 0.772 10 0 FCAERP O=C(NC12CC[NH+](CC1)C2)c1cncc(C(=O)NC23CC[NH+](CC2)C3)c1 ZINC000913634089 1197094010 /nfs/dbraw/zinc/09/40/10/1197094010.db2.gz AMGYFIJIAPANFJ-UHFFFAOYSA-N 2 0 355.442 0.238 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)/C=C\C=C\C(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@H]2C1 ZINC000816951932 1203083971 /nfs/dbraw/zinc/08/39/71/1203083971.db2.gz YZLMSKNNIGKISS-ZCTVWHJSSA-N 2 0 358.486 0.424 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000819036019 1203149344 /nfs/dbraw/zinc/14/93/44/1203149344.db2.gz ZQEBNJIKYHYVNL-SJORKVTESA-N 2 0 370.538 0.831 10 0 FCAERP CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867287935 1208290553 /nfs/dbraw/zinc/29/05/53/1208290553.db2.gz MDTHVVGOJQJLTD-QBPKDAKJSA-N 2 0 368.522 0.210 10 0 FCAERP CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867390876 1208454780 /nfs/dbraw/zinc/45/47/80/1208454780.db2.gz FRMDWYQAYCIXFL-ZACQAIPSSA-N 2 0 368.522 0.212 10 0 FCAERP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001489010277 1208605244 /nfs/dbraw/zinc/60/52/44/1208605244.db2.gz COGMQVQDYNGMJB-HUUCEWRRSA-N 2 0 354.495 0.012 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001489015952 1208607779 /nfs/dbraw/zinc/60/77/79/1208607779.db2.gz BARCXAPNQVAVIJ-BRWVUGGUSA-N 2 0 368.522 0.260 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001489017001 1208608140 /nfs/dbraw/zinc/60/81/40/1208608140.db2.gz KZIUKBAUXNIZSB-BZUAXINKSA-N 2 0 354.495 0.012 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001489133858 1208636992 /nfs/dbraw/zinc/63/69/92/1208636992.db2.gz YLQDOJWZQWGXRF-OWCLPIDISA-N 2 0 359.536 0.732 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCN1CCNC1=O ZINC001489147023 1208646137 /nfs/dbraw/zinc/64/61/37/1208646137.db2.gz DVUCDJLZBDPOAV-DLBZAZTESA-N 2 0 365.522 0.857 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001489580317 1208988680 /nfs/dbraw/zinc/98/86/80/1208988680.db2.gz QMGCOWOGEHKAAF-ZACQAIPSSA-N 2 0 368.522 0.279 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)CC[N@@H+]1C ZINC001489669638 1209080627 /nfs/dbraw/zinc/08/06/27/1209080627.db2.gz IVQSETDOSRMCND-YYIAUSFCSA-N 2 0 350.507 0.728 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001490007415 1209210187 /nfs/dbraw/zinc/21/01/87/1209210187.db2.gz DIRVWNWOZPFCHU-JKSUJKDBSA-N 2 0 362.518 0.920 10 0 FCAERP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)COCC[NH+](C)C)CC[C@@H]2C1)[NH+](C)C ZINC001490045013 1209225451 /nfs/dbraw/zinc/22/54/51/1209225451.db2.gz GCZIZPVDFMQLKB-IXDOHACOSA-N 2 0 368.522 0.212 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]2C1 ZINC001490050584 1209228050 /nfs/dbraw/zinc/22/80/50/1209228050.db2.gz CFGAGVQEPVQAKD-SJORKVTESA-N 2 0 352.523 0.975 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCN2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1C ZINC001490492063 1209359967 /nfs/dbraw/zinc/35/99/67/1209359967.db2.gz DGLJTUXODDGXEQ-RBUKOAKNSA-N 2 0 366.550 0.877 10 0 FCAERP CCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001490613782 1209389146 /nfs/dbraw/zinc/38/91/46/1209389146.db2.gz RVPNQYRODHRXDM-YVSFHVDLSA-N 2 0 350.507 0.918 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CCNC(=O)NC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001490665777 1209397491 /nfs/dbraw/zinc/39/74/91/1209397491.db2.gz TZYFSRONBNYEEO-FVQBIDKESA-N 2 0 367.538 0.909 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000861647967 1209873211 /nfs/dbraw/zinc/87/32/11/1209873211.db2.gz LWTPKNSLCBXDLU-BVUBDWEXSA-N 2 0 365.478 0.293 10 0 FCAERP C[C@@]1(CNC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCC[NH2+]C1 ZINC000861641952 1209873288 /nfs/dbraw/zinc/87/32/88/1209873288.db2.gz RLWMXCMWYUCIRW-RVKKMQEKSA-N 2 0 365.478 0.343 10 0 FCAERP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000861749648 1209879423 /nfs/dbraw/zinc/87/94/23/1209879423.db2.gz GCENUXRERWOWRN-HOTGVXAUSA-N 2 0 364.490 0.147 10 0 FCAERP CC[C@@H]1[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000863576797 1209945744 /nfs/dbraw/zinc/94/57/44/1209945744.db2.gz SCXRRNGBYXVHRW-IXDOHACOSA-N 2 0 370.538 0.972 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000865089383 1209970649 /nfs/dbraw/zinc/97/06/49/1209970649.db2.gz PGZTWBUZIXKBHI-IXDOHACOSA-N 2 0 368.522 0.674 10 0 FCAERP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000865195609 1209975205 /nfs/dbraw/zinc/97/52/05/1209975205.db2.gz NFOAQOHHUCIKPI-CABCVRRESA-N 2 0 372.510 0.668 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000865875675 1209986706 /nfs/dbraw/zinc/98/67/06/1209986706.db2.gz DUJDQTDQJKJIDP-AWEZNQCLSA-N 2 0 372.510 0.668 10 0 FCAERP COc1ccc(Cn2nnnc2N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000866012556 1209989306 /nfs/dbraw/zinc/98/93/06/1209989306.db2.gz HVSDMCGQQHHTIH-IAGOWNOFSA-N 2 0 373.505 0.906 10 0 FCAERP COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868229361 1210045251 /nfs/dbraw/zinc/04/52/51/1210045251.db2.gz RCOJXLKVDWRKJK-DLBZAZTESA-N 2 0 360.458 0.667 10 0 FCAERP Cc1ccc(N)cc1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868262524 1210048282 /nfs/dbraw/zinc/04/82/82/1210048282.db2.gz ABEDKKHVIRCEON-HUUCEWRRSA-N 2 0 361.490 0.714 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)CC[C@H]21 ZINC000868310031 1210051385 /nfs/dbraw/zinc/05/13/85/1210051385.db2.gz QBKWOGDAQOJFQD-HACGYAERSA-N 2 0 357.458 0.389 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)CC[C@H]21 ZINC000868310038 1210051562 /nfs/dbraw/zinc/05/15/62/1210051562.db2.gz QBKWOGDAQOJFQD-SUYBPPKGSA-N 2 0 357.458 0.389 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000868312051 1210051594 /nfs/dbraw/zinc/05/15/94/1210051594.db2.gz JPUSRDOZBMCOGF-SFHVURJKSA-N 2 0 364.494 0.607 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)CC[C@H]21 ZINC000868387339 1210058671 /nfs/dbraw/zinc/05/86/71/1210058671.db2.gz BCVBULCAVOVGEK-WNRNVDISSA-N 2 0 356.470 0.492 10 0 FCAERP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000868416681 1210063723 /nfs/dbraw/zinc/06/37/23/1210063723.db2.gz BAMCLYZZLZXGJI-DLBZAZTESA-N 2 0 366.506 0.299 10 0 FCAERP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)CC2)c1 ZINC000868416823 1210063937 /nfs/dbraw/zinc/06/39/37/1210063937.db2.gz BQHLRBBRYFBLHJ-HOTGVXAUSA-N 2 0 373.457 0.092 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@H]1C[NH+](C)C ZINC000870024215 1210099957 /nfs/dbraw/zinc/09/99/57/1210099957.db2.gz LFXVZNOMRUNNHQ-HZPDHXFCSA-N 2 0 357.462 0.474 10 0 FCAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000871000346 1210126167 /nfs/dbraw/zinc/12/61/67/1210126167.db2.gz JKXFVJVIGJZQQT-BBWFWOEESA-N 2 0 358.442 0.755 10 0 FCAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000872145752 1210173133 /nfs/dbraw/zinc/17/31/33/1210173133.db2.gz XFTFHAAAPIFXHS-YESZJQIVSA-N 2 0 365.474 0.829 10 0 FCAERP [NH3+]CCc1ccccc1C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872253954 1210182870 /nfs/dbraw/zinc/18/28/70/1210182870.db2.gz NPARWFJSDXWAKK-SJORKVTESA-N 2 0 358.442 0.585 10 0 FCAERP O=C(Cc1cccc2c1CC[NH2+]C2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302668 1210187380 /nfs/dbraw/zinc/18/73/80/1210187380.db2.gz HYGKBOHNNDIMER-JQHSSLGASA-N 2 0 370.453 0.268 10 0 FCAERP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000879612647 1210491420 /nfs/dbraw/zinc/49/14/20/1210491420.db2.gz IZGYQDWDZBADGJ-MOPGFXCFSA-N 2 0 361.486 0.457 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CCc2nnn(C(C)(C)C)n2)CC[N@@H+]1C ZINC001274760933 1211117803 /nfs/dbraw/zinc/11/78/03/1211117803.db2.gz WMXHLOFWFZWOIU-QLFBSQMISA-N 2 0 365.526 0.795 10 0 FCAERP CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926294916 1211527541 /nfs/dbraw/zinc/52/75/41/1211527541.db2.gz LIZVEONPJVUCMG-XLIONFOSSA-N 2 0 374.485 0.032 10 0 FCAERP CN(C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000926332640 1211532452 /nfs/dbraw/zinc/53/24/52/1211532452.db2.gz LVHAKTWYXMDZTK-HZPDHXFCSA-N 2 0 364.490 0.038 10 0 FCAERP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)CC2)CC1 ZINC000926337456 1211534346 /nfs/dbraw/zinc/53/43/46/1211534346.db2.gz PCHJFPJFXJMWHO-LADRWXRNSA-N 2 0 366.506 0.022 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[C@@H]1C[NH3+] ZINC000926357498 1211539317 /nfs/dbraw/zinc/53/93/17/1211539317.db2.gz XPDHCBUAQFSJFD-HZPDHXFCSA-N 2 0 368.522 0.389 10 0 FCAERP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000926375851 1211541548 /nfs/dbraw/zinc/54/15/48/1211541548.db2.gz XEDZOFMZEJXLEZ-HOTGVXAUSA-N 2 0 366.506 0.332 10 0 FCAERP C[N@@H+]1CC[C@H]([NH2+]CC(=O)NCC(=O)NCc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000926964736 1211560942 /nfs/dbraw/zinc/56/09/42/1211560942.db2.gz NEKWCZFEVKHPAY-BZSNNMDCSA-N 2 0 358.486 0.881 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000927334863 1211570166 /nfs/dbraw/zinc/57/01/66/1211570166.db2.gz HTSUIPCXVVAUSY-CQSZACIVSA-N 2 0 373.498 0.672 10 0 FCAERP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927639495 1211578512 /nfs/dbraw/zinc/57/85/12/1211578512.db2.gz DEVVIWVOPMUOOH-SJLPKXTDSA-N 2 0 367.538 0.565 10 0 FCAERP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000927818849 1211583417 /nfs/dbraw/zinc/58/34/17/1211583417.db2.gz YGDBSKJSNXLJBB-WBVHZDCISA-N 2 0 373.501 0.344 10 0 FCAERP Cc1cc(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)ccc1C[NH+](C)C ZINC000927841653 1211584303 /nfs/dbraw/zinc/58/43/03/1211584303.db2.gz HFHAOYDRCOREHM-UHFFFAOYSA-N 2 0 361.490 0.534 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C[NH+](C)C 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/nfs/dbraw/zinc/72/32/29/1211723229.db2.gz VYOWPDUAIJKADR-UHFFFAOYSA-N 2 0 361.490 0.992 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000930932541 1211728909 /nfs/dbraw/zinc/72/89/09/1211728909.db2.gz IVWVDHXJJQEEHL-DLBZAZTESA-N 2 0 368.522 0.138 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)C[NH+](C)C ZINC000931001641 1211734125 /nfs/dbraw/zinc/73/41/25/1211734125.db2.gz XYKZFSKPRVCBAP-RDJZCZTQSA-N 2 0 368.522 0.593 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)C1 ZINC000931302636 1211749886 /nfs/dbraw/zinc/74/98/86/1211749886.db2.gz ASWWKWYVXMIGLM-HOJAQTOUSA-N 2 0 366.550 0.733 10 0 FCAERP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001490888775 1216878300 /nfs/dbraw/zinc/87/83/00/1216878300.db2.gz GEOQTGKOGVVFEN-ARILJUKYSA-N 2 0 367.494 0.188 10 0 FCAERP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000900013800 1217954180 /nfs/dbraw/zinc/95/41/80/1217954180.db2.gz RIFJSUBDCQSISZ-AZUAARDMSA-N 2 0 360.502 0.376 10 0 FCAERP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000900176579 1217967966 /nfs/dbraw/zinc/96/79/66/1217967966.db2.gz PKNMTIKBTSPEDJ-UYAOXDASSA-N 2 0 360.502 0.770 10 0 FCAERP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900209147 1217971454 /nfs/dbraw/zinc/97/14/54/1217971454.db2.gz PXWALAHPSRNKKN-TZIWHRDSSA-N 2 0 374.529 0.895 10 0 FCAERP CN1CCN(C(=O)c2ccc(CNC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900208723 1217971866 /nfs/dbraw/zinc/97/18/66/1217971866.db2.gz CDPSZUATIZKKSJ-PXNSSMCTSA-N 2 0 374.485 0.146 10 0 FCAERP CC(C)C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)C12CC[NH+](CC1)C2 ZINC000900647021 1218017698 /nfs/dbraw/zinc/01/76/98/1218017698.db2.gz LQWZVVRNJUKFSM-INIZCTEOSA-N 2 0 362.518 0.825 10 0 FCAERP CCCC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)C12CC[NH+](CC1)C2 ZINC000901024802 1218071457 /nfs/dbraw/zinc/07/14/57/1218071457.db2.gz UGFQDWHUFCVOMY-MRXNPFEDSA-N 2 0 362.518 0.969 10 0 FCAERP CC(C)N1CCO[C@H](C(=[NH2+])NOCC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000902325606 1218245286 /nfs/dbraw/zinc/24/52/86/1218245286.db2.gz RNLLBDXTNHDXLN-INIZCTEOSA-N 2 0 369.510 0.583 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H]1CCCN(c3cnn(C)c3)C1=O)C2 ZINC000903493250 1218426676 /nfs/dbraw/zinc/42/66/76/1218426676.db2.gz QSUSDFRZEKAPLF-HRJSJKBJSA-N 2 0 361.446 0.128 10 0 FCAERP Cc1cc(N2CC[C@@H](N3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)C2=O)n(C)n1 ZINC000903506948 1218431638 /nfs/dbraw/zinc/43/16/38/1218431638.db2.gz GQPASYBUAPLGMA-FGTMMUONSA-N 2 0 372.517 0.734 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)NC3CCOCC3)CC2)CC[N@@H+]1C ZINC001277059973 1225817790 /nfs/dbraw/zinc/81/77/90/1225817790.db2.gz CNIDTRLFBQGLBL-JKSUJKDBSA-N 2 0 366.506 0.250 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@H]1CC[NH3+] ZINC000903762193 1218518804 /nfs/dbraw/zinc/51/88/04/1218518804.db2.gz SFQFBVZMNJLYSI-IXDOHACOSA-N 2 0 366.506 0.001 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[C@H]1CC[NH3+] ZINC000903760291 1218519477 /nfs/dbraw/zinc/51/94/77/1218519477.db2.gz SAXJPQIPOFEDEF-CBZIJGRNSA-N 2 0 362.518 0.905 10 0 FCAERP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903885892 1218560508 /nfs/dbraw/zinc/56/05/08/1218560508.db2.gz LQRGIHGVJGUCTM-OAGGEKHMSA-N 2 0 364.494 0.566 10 0 FCAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cnn1C ZINC000903924484 1218566732 /nfs/dbraw/zinc/56/67/32/1218566732.db2.gz DQZLEYNLMKAHGH-ZBFHGGJFSA-N 2 0 359.478 0.365 10 0 FCAERP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000804054315 1219109266 /nfs/dbraw/zinc/10/92/66/1219109266.db2.gz REFXYJBJQKKZSL-XGHPGWEVSA-N 2 0 364.490 0.099 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001490889723 1219362656 /nfs/dbraw/zinc/36/26/56/1219362656.db2.gz NYFRMPTZLKLFLG-DGXTUMSLSA-N 2 0 359.536 0.634 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001118089901 1221707828 /nfs/dbraw/zinc/70/78/28/1221707828.db2.gz BVIZZCCMUKLIEN-MOPGFXCFSA-N 2 0 360.502 0.233 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118488938 1221788418 /nfs/dbraw/zinc/78/84/18/1221788418.db2.gz YFDAVDXRUWFDSX-SFHVURJKSA-N 2 0 374.485 0.392 10 0 FCAERP CCO[C@H]1C[C@]([NH3+])(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1(C)C ZINC001118505548 1221790872 /nfs/dbraw/zinc/79/08/72/1221790872.db2.gz GCLFGKXBVKPCQL-KXBFYZLASA-N 2 0 368.522 0.626 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC001118548478 1221799258 /nfs/dbraw/zinc/79/92/58/1221799258.db2.gz MQAAORIDHWLWDF-NVXWUHKLSA-N 2 0 367.538 0.959 10 0 FCAERP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC001118552663 1221799660 /nfs/dbraw/zinc/79/96/60/1221799660.db2.gz XAGJZXLAKIZJPU-HOTGVXAUSA-N 2 0 366.506 0.237 10 0 FCAERP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001118898764 1221842216 /nfs/dbraw/zinc/84/22/16/1221842216.db2.gz YZLBDOGBRYVMRU-RHSMWYFYSA-N 2 0 366.506 0.189 10 0 FCAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC001123650435 1222347424 /nfs/dbraw/zinc/34/74/24/1222347424.db2.gz SMENBCRHRIMLQA-RCCFBDPRSA-N 2 0 372.517 0.973 10 0 FCAERP CC(C)[NH+]1CCN(CCC(=O)N[C@H]2CCC[C@H]2[NH+]2CCC(O)CC2)CC1 ZINC001123862518 1222361337 /nfs/dbraw/zinc/36/13/37/1222361337.db2.gz MVXQINQRMABVMT-RBUKOAKNSA-N 2 0 366.550 0.897 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000841215847 1222814016 /nfs/dbraw/zinc/81/40/16/1222814016.db2.gz BVXGPAXPIZKDGL-ZBFHGGJFSA-N 2 0 359.474 0.491 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000841219181 1222814564 /nfs/dbraw/zinc/81/45/64/1222814564.db2.gz VREMTKIENNUCHV-QAPCUYQASA-N 2 0 373.501 0.881 10 0 FCAERP COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000843357471 1222872715 /nfs/dbraw/zinc/87/27/15/1222872715.db2.gz LOTGCBNXAMWNJK-QGZVFWFLSA-N 2 0 360.458 0.920 10 0 FCAERP O=C(/C=C/C=C\C(=O)NCC[NH+]1CC=CCC1)NCC[N@H+]1CC=CCC1 ZINC000848021259 1245354253 /nfs/dbraw/zinc/35/42/53/1245354253.db2.gz WBDVRPRULAINHB-INWPEIIHSA-N 2 0 358.486 0.855 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849522850 1245397867 /nfs/dbraw/zinc/39/78/67/1245397867.db2.gz PDACUUCMSSLNHU-FGTMMUONSA-N 2 0 363.506 0.682 10 0 FCAERP COCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849518961 1245399059 /nfs/dbraw/zinc/39/90/59/1245399059.db2.gz UDBWTKJEWIIZED-MSOLQXFVSA-N 2 0 365.522 0.928 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849579781 1245403626 /nfs/dbraw/zinc/40/36/26/1245403626.db2.gz SGLVMISGUMQMIT-JENIJYKNSA-N 2 0 363.506 0.417 10 0 FCAERP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@@H]2CCCC[NH+]2CCO)cn1 ZINC000849602152 1245407406 /nfs/dbraw/zinc/40/74/06/1245407406.db2.gz YUTDWDOLTVJZTH-BZSNNMDCSA-N 2 0 363.506 0.418 10 0 FCAERP C[C@H]1[C@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000916435482 1245535398 /nfs/dbraw/zinc/53/53/98/1245535398.db2.gz JHEWGTQSHTUEIV-WMLDXEAASA-N 2 0 361.490 0.870 10 0 FCAERP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[N@@H+](C)CCOCCO)CC1 ZINC000922119568 1245660975 /nfs/dbraw/zinc/66/09/75/1245660975.db2.gz SZIYEFKDGQWSFZ-UHFFFAOYSA-N 2 0 364.490 0.663 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001328207590 1265504239 /nfs/dbraw/zinc/50/42/39/1265504239.db2.gz QIXRZULSGDACSO-HYVNUMGLSA-N 2 0 366.506 0.297 10 0 FCAERP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001328975489 1265668154 /nfs/dbraw/zinc/66/81/54/1265668154.db2.gz TZZCOKVTBHWFCD-DOTOQJQBSA-N 2 0 368.522 0.450 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC001329464064 1265761460 /nfs/dbraw/zinc/76/14/60/1265761460.db2.gz BUJLREBJWJQLMK-BBWFWOEESA-N 2 0 366.506 0.060 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2ccon2)CC1 ZINC001329648013 1265799257 /nfs/dbraw/zinc/79/92/57/1265799257.db2.gz DUWJJGXALPFXRD-UHFFFAOYSA-N 2 0 365.478 0.332 10 0 FCAERP C[C@@H](CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC001520193137 1265871587 /nfs/dbraw/zinc/87/15/87/1265871587.db2.gz YKXXFHFAFFULBJ-DLBZAZTESA-N 2 0 355.527 0.375 10 0 FCAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001331457058 1266218171 /nfs/dbraw/zinc/21/81/71/1266218171.db2.gz WWPFMXUBUBQQEO-MGPQQGTHSA-N 2 0 367.494 0.094 10 0 FCAERP c1nnc2ccc(N3CC[C@H]([NH2+][C@@H]4CCOC[C@H]4[C@@H]4CCC[NH2+]4)C3)nn12 ZINC001331756249 1266279401 /nfs/dbraw/zinc/27/94/01/1266279401.db2.gz QSBJRFWQWPTAHE-YHUYYLMFSA-N 2 0 357.462 0.450 10 0 FCAERP 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CCCC[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001506538866 1264325815 /nfs/dbraw/zinc/32/58/15/1264325815.db2.gz ATMLSVCEJIFRRV-MGPQQGTHSA-N 2 0 352.483 0.213 10 0 FCAERP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001506938452 1264348214 /nfs/dbraw/zinc/34/82/14/1264348214.db2.gz RQFFQAKQGVKHSH-JQHSSLGASA-N 2 0 360.502 0.952 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)CCN2CCNC2=O)C(C)C)CC[N@@H+]1C ZINC001507801497 1264387510 /nfs/dbraw/zinc/38/75/10/1264387510.db2.gz HBZZPHBHZZKQLF-DLBZAZTESA-N 2 0 367.538 0.911 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001511673906 1264576566 /nfs/dbraw/zinc/57/65/66/1264576566.db2.gz YLRSLITVEKERQN-BZUAXINKSA-N 2 0 368.522 0.089 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001324119493 1264578861 /nfs/dbraw/zinc/57/88/61/1264578861.db2.gz SLZGHDLVAARBHV-BCDXTJNWSA-N 2 0 371.485 0.625 10 0 FCAERP 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CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001341169060 1268827535 /nfs/dbraw/zinc/82/75/35/1268827535.db2.gz UTRFTQSRYMTBHT-YESZJQIVSA-N 2 0 350.507 0.870 10 0 FCAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001565701950 1269490603 /nfs/dbraw/zinc/49/06/03/1269490603.db2.gz PWAQFZITZBBWDU-ZWKOTPCHSA-N 2 0 352.523 0.630 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001565945418 1269526230 /nfs/dbraw/zinc/52/62/30/1269526230.db2.gz MQKVYSNYZMFRFJ-OWCLPIDISA-N 2 0 368.522 0.448 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C[NH2+]CCO ZINC001565957134 1269531792 /nfs/dbraw/zinc/53/17/92/1269531792.db2.gz ZGFIBQOOFHEOMP-KURKYZTESA-N 2 0 355.523 0.942 10 0 FCAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001567016639 1269674473 /nfs/dbraw/zinc/67/44/73/1269674473.db2.gz JWGVLBPIRQCBNH-BFHYXJOUSA-N 2 0 367.494 0.141 10 0 FCAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)CC)C[C@H]1OC ZINC001342930080 1269683660 /nfs/dbraw/zinc/68/36/60/1269683660.db2.gz MNTVBZZULSMCQS-IXDOHACOSA-N 2 0 368.522 0.545 10 0 FCAERP CC(=O)NCCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001567763298 1269706580 /nfs/dbraw/zinc/70/65/80/1269706580.db2.gz RKYPCMZTRJUULH-DJIMGWMZSA-N 2 0 354.495 0.060 10 0 FCAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC(=O)NC1CCOCC1 ZINC001567961498 1269715917 /nfs/dbraw/zinc/71/59/17/1269715917.db2.gz INOAWLXMLLWDPO-HYVNUMGLSA-N 2 0 368.522 0.496 10 0 FCAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC(=O)NC1CCOCC1 ZINC001567961497 1269716078 /nfs/dbraw/zinc/71/60/78/1269716078.db2.gz INOAWLXMLLWDPO-BHYGNILZSA-N 2 0 368.522 0.496 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NCc2cccs2)CC[N@@H+]1C ZINC001568851969 1269751478 /nfs/dbraw/zinc/75/14/78/1269751478.db2.gz POTFWLUOEVWEBT-RAQZUPNJSA-N 2 0 364.515 0.967 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)Nc2cc(C)on2)CC[N@@H+]1C ZINC001569058856 1269761592 /nfs/dbraw/zinc/76/15/92/1269761592.db2.gz XMAIZFPTXCBSGP-FPMFFAJLSA-N 2 0 351.451 0.746 10 0 FCAERP C[C@H](C[N@H+](C)CCNC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569117534 1269766013 /nfs/dbraw/zinc/76/60/13/1269766013.db2.gz BFIRTXGOAZUFPL-RBSFLKMASA-N 2 0 355.527 0.861 10 0 FCAERP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001569401597 1269780733 /nfs/dbraw/zinc/78/07/33/1269780733.db2.gz XPPDCJHXPJYVSU-BFHYXJOUSA-N 2 0 367.494 0.188 10 0 FCAERP CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001570273312 1269860008 /nfs/dbraw/zinc/86/00/08/1269860008.db2.gz OXKRKTKKUNOMBD-GPMSIDNRSA-N 2 0 350.507 0.777 10 0 FCAERP Cc1nnsc1C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571673949 1269948749 /nfs/dbraw/zinc/94/87/49/1269948749.db2.gz JKYJMWMLALFZNS-ZIAGYGMSSA-N 2 0 355.508 0.751 10 0 FCAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1O ZINC001343604989 1269959059 /nfs/dbraw/zinc/95/90/59/1269959059.db2.gz FCWWEZUBDTWZLZ-CVEARBPZSA-N 2 0 368.522 0.138 10 0 FCAERP C[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]21 ZINC001572792225 1270145513 /nfs/dbraw/zinc/14/55/13/1270145513.db2.gz WFBHWOCPWZVCMK-JKSUJKDBSA-N 2 0 352.523 0.975 10 0 FCAERP CN(C(=O)C(=O)N1CCC[C@](C)(F)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001344759990 1270236219 /nfs/dbraw/zinc/23/62/19/1270236219.db2.gz ZUUMWRJQTUEOEJ-APWZRJJASA-N 2 0 368.497 0.964 10 0 FCAERP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001572892645 1270306271 /nfs/dbraw/zinc/30/62/71/1270306271.db2.gz FZBFVXDLJYCXIF-BRWVUGGUSA-N 2 0 368.522 0.260 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001573211651 1270674543 /nfs/dbraw/zinc/67/45/43/1270674543.db2.gz SZDLLKTZMJCSGL-BRWVUGGUSA-N 2 0 368.522 0.402 10 0 FCAERP C[NH+](C)CCCC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001573362572 1270762456 /nfs/dbraw/zinc/76/24/56/1270762456.db2.gz OWLFKRUYAZKVRW-SJORKVTESA-N 2 0 350.507 0.731 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001573379936 1270767212 /nfs/dbraw/zinc/76/72/12/1270767212.db2.gz CKRDDCKGKHNMCU-SJORKVTESA-N 2 0 362.518 0.731 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC001573389312 1270769790 /nfs/dbraw/zinc/76/97/90/1270769790.db2.gz PKWKWARLZLNHMH-IKGGRYGDSA-N 2 0 350.507 0.729 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1C(=O)COCC[NH+](C)C ZINC001573518931 1270806619 /nfs/dbraw/zinc/80/66/19/1270806619.db2.gz KJDHFDSEDIPEIC-SJORKVTESA-N 2 0 368.522 0.546 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001573523727 1270811776 /nfs/dbraw/zinc/81/17/76/1270811776.db2.gz QJHKIASJAQHZPW-PBHICJAKSA-N 2 0 350.507 0.918 10 0 FCAERP 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CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001702992829 1286041975 /nfs/dbraw/zinc/04/19/75/1286041975.db2.gz MWJZODWEEZKUCN-ZACQAIPSSA-N 2 0 350.507 0.918 10 0 FCAERP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001703937840 1286164020 /nfs/dbraw/zinc/16/40/20/1286164020.db2.gz OBCUMXPAQJRJKE-OVYGPGRDSA-N 2 0 366.506 0.058 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H](F)C[NH+](CC)CC)C2)CC[N@@H+]1C ZINC001704526393 1286261487 /nfs/dbraw/zinc/26/14/87/1286261487.db2.gz IQTBRBIYPIOAJK-ARFHVFGLSA-N 2 0 356.486 0.724 10 0 FCAERP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001707112015 1286451112 /nfs/dbraw/zinc/45/11/12/1286451112.db2.gz ZNYLIBQBPCZDDI-HZSPNIEDSA-N 2 0 367.494 0.319 10 0 FCAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CC1 ZINC001707112678 1286451214 /nfs/dbraw/zinc/45/12/14/1286451214.db2.gz HDNDTTVXMREZNJ-JKSUJKDBSA-N 2 0 350.507 0.825 10 0 FCAERP 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CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC001616778985 1289794125 /nfs/dbraw/zinc/79/41/25/1289794125.db2.gz MKRAMQKSMSUUKC-MRXNPFEDSA-N 2 0 368.503 0.585 10 0 FCAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001702207583 1289868373 /nfs/dbraw/zinc/86/83/73/1289868373.db2.gz NJMZCEZFVMQHEJ-MWDXBVQZSA-N 2 0 368.522 0.137 10 0 FCAERP C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001739387091 1289896900 /nfs/dbraw/zinc/89/69/00/1289896900.db2.gz MJDRTAHHKDXJPS-GVDBMIGSSA-N 2 0 350.507 0.872 10 0 FCAERP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001739520028 1290107742 /nfs/dbraw/zinc/10/77/42/1290107742.db2.gz HYJWXALHYHNWHI-RHSMWYFYSA-N 2 0 350.507 0.918 10 0 FCAERP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001739591855 1290209073 /nfs/dbraw/zinc/20/90/73/1290209073.db2.gz XJRBDTLSRVZJBK-BRWVUGGUSA-N 2 0 368.522 0.258 10 0 FCAERP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001656342180 1291511836 /nfs/dbraw/zinc/51/18/36/1291511836.db2.gz YSDXURQQPJJMAF-VNHYZAJKSA-N 2 0 367.494 0.047 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001656505562 1291535774 /nfs/dbraw/zinc/53/57/74/1291535774.db2.gz STQNFPBOFJJHOM-HZPDHXFCSA-N 2 0 354.495 0.060 10 0 FCAERP CC(C)C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001667085590 1291927322 /nfs/dbraw/zinc/92/73/22/1291927322.db2.gz BXMZJNRIPRAMIB-IXDOHACOSA-N 2 0 368.522 0.306 10 0 FCAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCN1C(=O)CCC1=O ZINC001667458117 1291937843 /nfs/dbraw/zinc/93/78/43/1291937843.db2.gz ICCLOMMPGHSTRF-KFWWJZLASA-N 2 0 352.479 0.206 10 0 FCAERP C[C@H](C[NH2+]CCc1nnn(C(C)(C)C)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001669293151 1291989171 /nfs/dbraw/zinc/98/91/71/1291989171.db2.gz JYTUQAXUAHMYIE-MGPQQGTHSA-N 2 0 351.499 0.405 10 0 FCAERP 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CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001685069818 1292417264 /nfs/dbraw/zinc/41/72/64/1292417264.db2.gz LDHPIJOWQGIOJX-SJORKVTESA-N 2 0 350.507 0.731 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CCOCCN(C)C(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001685121738 1292433279 /nfs/dbraw/zinc/43/32/79/1292433279.db2.gz TWTCYWHRQKDLIO-BRWVUGGUSA-N 2 0 368.522 0.212 10 0 FCAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001685875699 1292672883 /nfs/dbraw/zinc/67/28/83/1292672883.db2.gz CUGCHTJCAGXFEI-BRWVUGGUSA-N 2 0 350.507 0.777 10 0 FCAERP CN1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000694894514 836098061 /nfs/dbraw/zinc/09/80/61/836098061.db2.gz QEGFRFURLGYFBH-MSOLQXFVSA-N 2 0 366.531 0.474 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cn1 ZINC000747555447 836249719 /nfs/dbraw/zinc/24/97/19/836249719.db2.gz BWGMIUAJETWGBM-UHFFFAOYSA-N 2 0 351.499 0.592 10 0 FCAERP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)N1CCCCC1 ZINC001277060373 861747700 /nfs/dbraw/zinc/74/77/00/861747700.db2.gz NNNWMPCCYQQXFE-BZUAXINKSA-N 2 0 350.507 0.966 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CCO1 ZINC001118512896 847456959 /nfs/dbraw/zinc/45/69/59/847456959.db2.gz PADJDTDXMLDNJV-OAHLLOKOSA-N 2 0 350.467 0.385 10 0 FCAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCNC(=O)C(F)(F)F ZINC001277825774 862118811 /nfs/dbraw/zinc/11/88/11/862118811.db2.gz GRNNOUBMLLPSIY-JHJVBQTASA-N 2 0 366.428 0.832 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CCc2c(F)cccc2F)CC[N@@H+]1C ZINC001278084552 862181367 /nfs/dbraw/zinc/18/13/67/862181367.db2.gz BWZVSFNKKURETF-MGPQQGTHSA-N 2 0 355.429 0.914 10 0 FCAERP CC(C)NC(=O)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC001278452803 862330463 /nfs/dbraw/zinc/33/04/63/862330463.db2.gz ORLCXKMBXRELIW-OAFZBRQQSA-N 2 0 350.507 0.964 10 0 FCAERP 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ZINC000930590206 674042696 /nfs/dbraw/zinc/04/26/96/674042696.db2.gz SAWYFFDYQMPIJV-KURKYZTESA-N 2 0 355.523 0.680 10 0 FCAERP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000333737025 215315489 /nfs/dbraw/zinc/31/54/89/215315489.db2.gz XAQDZVBJDCCDLI-IAGOWNOFSA-N 2 0 360.458 0.525 10 0 FCAERP C[C@@H](CNC(=O)C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1)[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000930996029 674085218 /nfs/dbraw/zinc/08/52/18/674085218.db2.gz QADSWHKCARJKHU-SRFBJZQXSA-N 2 0 355.523 0.389 10 0 FCAERP CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000367267532 216099198 /nfs/dbraw/zinc/09/91/98/216099198.db2.gz QNNHVGSRGHWMDH-QGZVFWFLSA-N 2 0 359.536 0.702 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C[C@H]2CCCC[C@@H]2O)C1 ZINC000245563539 209369164 /nfs/dbraw/zinc/36/91/64/209369164.db2.gz YNOXZKRTINMGLF-KURKYZTESA-N 2 0 355.523 0.942 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000246200859 209381283 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QNXUMHCPPDAAKO-KSZLIROESA-N 2 0 352.523 0.343 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414657560 245306534 /nfs/dbraw/zinc/30/65/34/245306534.db2.gz HRMNVQWUJVADIO-QGZVFWFLSA-N 2 0 360.458 0.701 10 0 FCAERP C[C@H](CNC(=O)CN1C[C@H](O)CC(C)(C)C1)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000931551958 674119538 /nfs/dbraw/zinc/11/95/38/674119538.db2.gz PXPFZCLODCABSA-BZUAXINKSA-N 2 0 355.523 0.677 10 0 FCAERP Cc1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000415627915 245453775 /nfs/dbraw/zinc/45/37/75/245453775.db2.gz SXMHJCWEYARYDK-GOEBONIOSA-N 2 0 362.474 0.988 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000375119854 217220294 /nfs/dbraw/zinc/22/02/94/217220294.db2.gz RSVUZKNIULMWRL-UHFFFAOYSA-N 2 0 373.501 0.968 10 0 FCAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000182969464 209139620 /nfs/dbraw/zinc/13/96/20/209139620.db2.gz RIJMXVNWLSFPJZ-INIZCTEOSA-N 2 0 374.485 0.213 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@]3(C2)CCCOC3)C1 ZINC000375293192 217245654 /nfs/dbraw/zinc/24/56/54/217245654.db2.gz QURPAVLONXVPPD-HKUYNNGSSA-N 2 0 353.507 0.962 10 0 FCAERP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)NC(N)=O)CC1 ZINC000181640383 209119082 /nfs/dbraw/zinc/11/90/82/209119082.db2.gz NCXCXNVULGOBCU-GFCCVEGCSA-N 2 0 351.426 0.813 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000418931573 245913665 /nfs/dbraw/zinc/91/36/65/245913665.db2.gz GJFLCEAVSLKRTI-YESZJQIVSA-N 2 0 350.507 0.810 10 0 FCAERP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419158809 246024529 /nfs/dbraw/zinc/02/45/29/246024529.db2.gz YIQTWEACDGSYHD-IGMKFADOSA-N 2 0 350.507 0.713 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[C@H]1c1ccc(F)cc1 ZINC000419133278 246007999 /nfs/dbraw/zinc/00/79/99/246007999.db2.gz FXMXAHOZSGNYGB-BPQIPLTHSA-N 2 0 374.460 0.822 10 0 FCAERP 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ZINC000372748612 489632604 /nfs/dbraw/zinc/63/26/04/489632604.db2.gz RKWTZMUKIIFMNY-QGZVFWFLSA-N 2 0 369.506 0.341 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417179373 489644433 /nfs/dbraw/zinc/64/44/33/489644433.db2.gz FOECNLAZLARICR-RTBURBONSA-N 2 0 359.518 0.848 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417202351 489644607 /nfs/dbraw/zinc/64/46/07/489644607.db2.gz XJCSYTHCVBMHMN-RBUKOAKNSA-N 2 0 359.518 0.848 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417394626 489650939 /nfs/dbraw/zinc/65/09/39/489650939.db2.gz VOAVCZFOILHZHI-HKUYNNGSSA-N 3 0 372.517 0.987 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)[C@H]1c1ccccc1 ZINC000417932970 489671995 /nfs/dbraw/zinc/67/19/95/489671995.db2.gz DJDPFXVRCPBVQC-FGTMMUONSA-N 2 0 373.501 0.928 10 0 FCAERP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458244529 489675301 /nfs/dbraw/zinc/67/53/01/489675301.db2.gz UBQMEUUPPJTPRR-KRWDZBQOSA-N 2 0 356.511 0.633 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418679266 489718290 /nfs/dbraw/zinc/71/82/90/489718290.db2.gz WVDQIRSWVIYOBC-ABHNRTSZSA-N 2 0 367.538 0.349 10 0 FCAERP C[C@]1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000418816488 489736529 /nfs/dbraw/zinc/73/65/29/489736529.db2.gz LUXNZSNOKZYDPM-LVCYWYKZSA-N 2 0 370.497 0.835 10 0 FCAERP C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000418849641 489755430 /nfs/dbraw/zinc/75/54/30/489755430.db2.gz DCJSDULRPIIHHW-GOSISDBHSA-N 2 0 360.502 0.734 10 0 FCAERP CCN1CC[C@H](NC(=O)C(=O)N(C)CC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418866113 489764867 /nfs/dbraw/zinc/76/48/67/489764867.db2.gz MOVTWTANGHJJHG-DZGCQCFKSA-N 2 0 372.391 0.773 10 0 FCAERP CCN1CC[C@H](NC(=O)C(=O)NCCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418865958 489765150 /nfs/dbraw/zinc/76/51/50/489765150.db2.gz MADGSXJRRHMWPJ-ZFWWWQNUSA-N 2 0 372.391 0.820 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418879294 489771924 /nfs/dbraw/zinc/77/19/24/489771924.db2.gz SLGHBIBJHBZXDV-XLIONFOSSA-N 2 0 358.486 0.488 10 0 FCAERP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000418883333 489774794 /nfs/dbraw/zinc/77/47/94/489774794.db2.gz UXYMPHOULCJGEH-RDJZCZTQSA-N 2 0 362.474 0.420 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000474676351 489778704 /nfs/dbraw/zinc/77/87/04/489778704.db2.gz LPSKBLFIIKKENV-UHFFFAOYSA-N 2 0 351.451 0.500 10 0 FCAERP CN1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000418899119 489780880 /nfs/dbraw/zinc/78/08/80/489780880.db2.gz BMAURERCPISJOI-HUUCEWRRSA-N 2 0 350.850 0.633 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)ccc1F ZINC000418967600 489807450 /nfs/dbraw/zinc/80/74/50/489807450.db2.gz SCTWALKBHLYPMA-HNNXBMFYSA-N 2 0 350.438 0.762 10 0 FCAERP [NH3+]CCN(CCO)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000419014713 489818355 /nfs/dbraw/zinc/81/83/55/489818355.db2.gz JGPDDBISJXPXJX-UHFFFAOYSA-N 2 0 362.474 0.068 10 0 FCAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419025951 489822718 /nfs/dbraw/zinc/82/27/18/489822718.db2.gz ZRYHKHCGXDLXNG-SFHVURJKSA-N 2 0 374.485 0.393 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000419025100 489822878 /nfs/dbraw/zinc/82/28/78/489822878.db2.gz LSGHHZKNUUKMGF-QXSJWSMHSA-N 2 0 352.523 0.973 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H](CO)C1CC1 ZINC000460159823 489853018 /nfs/dbraw/zinc/85/30/18/489853018.db2.gz GZHPLMGHEIJIDY-KRWDZBQOSA-N 2 0 361.490 0.911 10 0 FCAERP Cc1cnc(CCN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000564055215 491286129 /nfs/dbraw/zinc/28/61/29/491286129.db2.gz VVBGQGVALJBFST-UHFFFAOYSA-N 2 0 369.535 0.404 10 0 FCAERP CCC[C@]1(CO)CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000377503155 489912668 /nfs/dbraw/zinc/91/26/68/489912668.db2.gz BCRJVEBHNXXSSE-MJGOQNOKSA-N 2 0 355.523 0.944 10 0 FCAERP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)CC1 ZINC000420127817 489921940 /nfs/dbraw/zinc/92/19/40/489921940.db2.gz PIFKQSODKJRPEF-MNAZLIDISA-N 2 0 350.507 0.824 10 0 FCAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C1(C)C ZINC000564082960 491287929 /nfs/dbraw/zinc/28/79/29/491287929.db2.gz DMZHUBPMZNGCDH-FCJNSDPXSA-N 2 0 352.523 0.852 10 0 FCAERP CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420178858 489942854 /nfs/dbraw/zinc/94/28/54/489942854.db2.gz BBLJCWAEHPHEAW-MSOLQXFVSA-N 2 0 374.485 0.214 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@](CO)(C(C)C)C2)C1 ZINC000377728191 489948208 /nfs/dbraw/zinc/94/82/08/489948208.db2.gz VTYRAQOUSQJWDN-IEBWSBKVSA-N 2 0 355.523 0.800 10 0 FCAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420210115 489953895 /nfs/dbraw/zinc/95/38/95/489953895.db2.gz NBRKBLRNYTYHDJ-DMRKSPOLSA-N 2 0 350.507 0.870 10 0 FCAERP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000377768249 489955552 /nfs/dbraw/zinc/95/55/52/489955552.db2.gz IUGPEDBHRADBKC-ZWKOTPCHSA-N 2 0 367.538 0.519 10 0 FCAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000378247209 490033245 /nfs/dbraw/zinc/03/32/45/490033245.db2.gz KCNDIRWSFOIAFB-QBPKDAKJSA-N 2 0 359.536 0.842 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)CC1=O ZINC000464921723 490072910 /nfs/dbraw/zinc/07/29/10/490072910.db2.gz OHQNEZDUWIECQH-GVDBMIGSSA-N 2 0 350.507 0.872 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465946946 490155827 /nfs/dbraw/zinc/15/58/27/490155827.db2.gz HCDGOMCDUJDKBI-KRWDZBQOSA-N 2 0 367.538 0.995 10 0 FCAERP C[C@@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC000465957512 490158025 /nfs/dbraw/zinc/15/80/25/490158025.db2.gz RMAPYXFCFLOARP-BZUAXINKSA-N 2 0 353.511 0.698 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000520827203 490195569 /nfs/dbraw/zinc/19/55/69/490195569.db2.gz PJNCPLVJOKMRJI-MRXNPFEDSA-N 2 0 354.495 0.204 10 0 FCAERP COCC[C@@]1([NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC000447404085 490231847 /nfs/dbraw/zinc/23/18/47/490231847.db2.gz IFUPQDLAWFLXGF-FUHWJXTLSA-N 2 0 357.495 0.245 10 0 FCAERP C[C@@H](C(=O)N1CC[NH+]2CCC1CC2)[C@@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000507872051 490273861 /nfs/dbraw/zinc/27/38/61/490273861.db2.gz BOQFFNZFPYRIQQ-HZPDHXFCSA-N 2 0 362.518 0.872 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CC2CCC2)[C@H](C)CO)C1 ZINC000483141872 490285188 /nfs/dbraw/zinc/28/51/88/490285188.db2.gz IJHJKARYADULKB-SJLPKXTDSA-N 2 0 355.523 0.942 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)CC1=O ZINC000498480871 490300977 /nfs/dbraw/zinc/30/09/77/490300977.db2.gz BDPZRURKOYOHMB-KSZLIROESA-N 2 0 362.518 0.872 10 0 FCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000408370648 490318234 /nfs/dbraw/zinc/31/82/34/490318234.db2.gz NYUVDGUHCHSIEG-GOEBONIOSA-N 2 0 374.489 0.783 10 0 FCAERP C[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000547750486 490351936 /nfs/dbraw/zinc/35/19/36/490351936.db2.gz WEEQHKVRNZBYOJ-OAHLLOKOSA-N 2 0 352.523 0.506 10 0 FCAERP COCC[N@@H+]1CC[C@H](NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000564716293 491321821 /nfs/dbraw/zinc/32/18/21/491321821.db2.gz DRLQWMIALYUACF-CGZBRXJRSA-N 2 0 353.511 0.223 10 0 FCAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CN3CCOCC3)cn2)CC1 ZINC000564722828 491322217 /nfs/dbraw/zinc/32/22/17/491322217.db2.gz TUUBAHCYEHXEJB-GOSISDBHSA-N 2 0 363.506 0.006 10 0 FCAERP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000500097713 490484961 /nfs/dbraw/zinc/48/49/61/490484961.db2.gz NERPGYFLPHPUBP-UHFFFAOYSA-N 2 0 362.522 0.318 10 0 FCAERP COc1ccc([C@H](OC)[C@@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000564851286 491331066 /nfs/dbraw/zinc/33/10/66/491331066.db2.gz JHZGRZNXAXDQAZ-SZVBFZGTSA-N 2 0 351.491 0.969 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCC(=O)N2Cc3ccccc3C2)CC1 ZINC000564857244 491331871 /nfs/dbraw/zinc/33/18/71/491331871.db2.gz QZBHRYOQVHKTNX-LJQANCHMSA-N 2 0 360.502 0.507 10 0 FCAERP CC(C[NH+](C)[C@H]1CCN2CCO[C@H]1C2)C[N@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000451139881 490519953 /nfs/dbraw/zinc/51/99/53/490519953.db2.gz DXSLAZOECAWYCO-MUGJNUQGSA-N 2 0 366.550 0.432 10 0 FCAERP C[C@@H](CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1)N1CC[NH+](C)CC1 ZINC000535760293 490524581 /nfs/dbraw/zinc/52/45/81/490524581.db2.gz ARRCFDNKKUIXRS-INIZCTEOSA-N 2 0 360.506 0.199 10 0 FCAERP C[C@H](CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1)N1CC[NH+](C)CC1 ZINC000535760294 490524680 /nfs/dbraw/zinc/52/46/80/490524680.db2.gz ARRCFDNKKUIXRS-MRXNPFEDSA-N 2 0 360.506 0.199 10 0 FCAERP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423062270 490534228 /nfs/dbraw/zinc/53/42/28/490534228.db2.gz STUDALUIJMEQAO-JQHSSLGASA-N 2 0 358.486 0.915 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423067073 490535015 /nfs/dbraw/zinc/53/50/15/490535015.db2.gz GEPNBVYFVMYWSY-YLJYHZDGSA-N 2 0 358.486 0.917 10 0 FCAERP CN(C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423067070 490535323 /nfs/dbraw/zinc/53/53/23/490535323.db2.gz GEPNBVYFVMYWSY-FXAWDEMLSA-N 2 0 358.486 0.917 10 0 FCAERP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000525810054 490636986 /nfs/dbraw/zinc/63/69/86/490636986.db2.gz WUFBZTJFAYHRGR-KRWDZBQOSA-N 2 0 363.506 0.585 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000526967665 490689068 /nfs/dbraw/zinc/68/90/68/490689068.db2.gz LXACFSXYIMJKPX-HNNXBMFYSA-N 2 0 350.463 0.961 10 0 FCAERP O=C(CCOC1C[NH2+]C1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000572124342 491349890 /nfs/dbraw/zinc/34/98/90/491349890.db2.gz RRUQALMFDYMNIA-UHFFFAOYSA-N 2 0 360.458 0.829 10 0 FCAERP Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1F ZINC000572236004 491357240 /nfs/dbraw/zinc/35/72/40/491357240.db2.gz RHWOYXUMEDFIJB-INIZCTEOSA-N 2 0 352.454 0.062 10 0 FCAERP COCC[NH+]1CCC(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000529299930 490848028 /nfs/dbraw/zinc/84/80/28/490848028.db2.gz PHXGWCIKUUUUFL-SFHVURJKSA-N 2 0 368.522 0.897 10 0 FCAERP O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1)[C@H]1CCC[NH2+]1 ZINC000529350595 490855575 /nfs/dbraw/zinc/85/55/75/490855575.db2.gz PFNGXTMKKLBBLU-ARFHVFGLSA-N 2 0 363.506 0.561 10 0 FCAERP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC000516643382 490872454 /nfs/dbraw/zinc/87/24/54/490872454.db2.gz FQOVLRVMKSEFRW-UHFFFAOYSA-N 2 0 350.507 0.921 10 0 FCAERP O=C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)NC(=O)NC1CCCC1 ZINC000530238448 490895180 /nfs/dbraw/zinc/89/51/80/490895180.db2.gz NPJAJAXHCNCTCH-MRXNPFEDSA-N 2 0 352.479 0.845 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000517384473 490906931 /nfs/dbraw/zinc/90/69/31/490906931.db2.gz BKRAHECZHDSSGZ-NVXWUHKLSA-N 2 0 366.506 0.156 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H](O)C1CCOCC1 ZINC000530818258 490926744 /nfs/dbraw/zinc/92/67/44/490926744.db2.gz FZUGYTKBWKCILD-GOSISDBHSA-N 2 0 362.474 0.497 10 0 FCAERP C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)C1=CC[N@H+](C)CC1 ZINC000543967264 490953422 /nfs/dbraw/zinc/95/34/22/490953422.db2.gz OTLFQCCNBOAKLB-GDBMZVCRSA-N 2 0 374.489 0.861 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000519553251 490976221 /nfs/dbraw/zinc/97/62/21/490976221.db2.gz UPVBFAMRODNZRB-KRWDZBQOSA-N 2 0 366.506 0.300 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(c3ncc[nH]3)CC2)C1 ZINC000569496196 491164411 /nfs/dbraw/zinc/16/44/11/491164411.db2.gz OLMJLCZINOUEAW-MRXNPFEDSA-N 3 0 364.494 0.005 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000557493617 491377868 /nfs/dbraw/zinc/37/78/68/491377868.db2.gz PYRHESPOORCDQL-HOTGVXAUSA-N 2 0 354.495 0.014 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+](C)C1CCCC1 ZINC000557493416 491378287 /nfs/dbraw/zinc/37/82/87/491378287.db2.gz NJNDWSBMSVKAQC-INIZCTEOSA-N 2 0 354.495 0.204 10 0 FCAERP COc1ccccc1N1CC[C@@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000565712226 491394927 /nfs/dbraw/zinc/39/49/27/491394927.db2.gz NWBQETLMFIGLIP-ROUUACIJSA-N 2 0 362.518 0.719 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000566063578 491415243 /nfs/dbraw/zinc/41/52/43/491415243.db2.gz CJOSEHSRIVXIJE-GOEBONIOSA-N 2 0 350.438 0.129 10 0 FCAERP C[NH+]1CCN(C[C@H]([NH2+]C[C@@H](O)CN2CCOCC2)c2ccccc2)CC1 ZINC000566107919 491417833 /nfs/dbraw/zinc/41/78/33/491417833.db2.gz RZMAUAONANNQJM-UXHICEINSA-N 2 0 362.518 0.258 10 0 FCAERP Cc1cc(N2CCC([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)CC2)nc(C)n1 ZINC000573317479 491425814 /nfs/dbraw/zinc/42/58/14/491425814.db2.gz JVDCZGKLHOGCSL-SFHVURJKSA-N 2 0 362.522 0.260 10 0 FCAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000566233298 491428495 /nfs/dbraw/zinc/42/84/95/491428495.db2.gz IODVFPRFBUOXJG-FUHWJXTLSA-N 2 0 356.470 0.768 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)CC1 ZINC000558629999 491439139 /nfs/dbraw/zinc/43/91/39/491439139.db2.gz PQXUGZRKHYXGMX-PMACEKPBSA-N 2 0 370.497 0.788 10 0 FCAERP CCN1CCC([NH+]2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)O4)CC2)CC1 ZINC000566460980 491445550 /nfs/dbraw/zinc/44/55/50/491445550.db2.gz MTKZJZRRJZLPQQ-HDICACEKSA-N 2 0 351.491 0.809 10 0 FCAERP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)C2)CC1 ZINC000573711508 491449952 /nfs/dbraw/zinc/44/99/52/491449952.db2.gz DBUNWOGWAPHZGT-XLIONFOSSA-N 2 0 362.518 0.779 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000573906929 491461947 /nfs/dbraw/zinc/46/19/47/491461947.db2.gz OCFYOEKXFGHSGP-GOSISDBHSA-N 2 0 370.563 0.778 10 0 FCAERP CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000566922945 491475477 /nfs/dbraw/zinc/47/54/77/491475477.db2.gz CTKSXWJOCSJYKH-KRWDZBQOSA-N 2 0 364.490 0.736 10 0 FCAERP COC[C@@]1(CNC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCC[NH2+]1 ZINC000574142690 491476846 /nfs/dbraw/zinc/47/68/46/491476846.db2.gz NSKHIXORUKLRDW-HKUYNNGSSA-N 2 0 367.538 0.567 10 0 FCAERP CCN(C(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@H]1CC[N@H+](CC)C1 ZINC000668388767 493345989 /nfs/dbraw/zinc/34/59/89/493345989.db2.gz KAZTVTXNMKNNOX-IRXDYDNUSA-N 2 0 368.522 0.402 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000574329839 491489831 /nfs/dbraw/zinc/48/98/31/491489831.db2.gz NHIHEADHWIJTOH-RTBURBONSA-N 3 0 366.550 0.923 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000567250329 491494938 /nfs/dbraw/zinc/49/49/38/491494938.db2.gz HQSCQHWSXXRJDE-KRWDZBQOSA-N 2 0 365.522 0.855 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000559750400 491495385 /nfs/dbraw/zinc/49/53/85/491495385.db2.gz ZFDXYOUTBXMMKQ-MRXNPFEDSA-N 2 0 352.454 0.955 10 0 FCAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000559830424 491502435 /nfs/dbraw/zinc/50/24/35/491502435.db2.gz FFXGDVRAVXZNRE-DLBZAZTESA-N 2 0 366.506 0.158 10 0 FCAERP CC1CC[NH+](CCCNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000559833816 491503224 /nfs/dbraw/zinc/50/32/24/491503224.db2.gz CIMYMAUYXDWSSU-UHFFFAOYSA-N 2 0 368.522 0.453 10 0 FCAERP CN(C(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000574796723 491520649 /nfs/dbraw/zinc/52/06/49/491520649.db2.gz DPOWUHUOUVFUER-CVEARBPZSA-N 2 0 350.507 0.918 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000574884517 491525803 /nfs/dbraw/zinc/52/58/03/491525803.db2.gz QHRBHQZATZHSIL-MRXNPFEDSA-N 2 0 354.495 0.156 10 0 FCAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000567835186 491533311 /nfs/dbraw/zinc/53/33/11/491533311.db2.gz DBLOSIJHJJJPEL-YESZJQIVSA-N 2 0 350.507 0.955 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000575138427 491541453 /nfs/dbraw/zinc/54/14/53/491541453.db2.gz BEBAMKAZMNUSIR-IAGOWNOFSA-N 2 0 365.522 0.903 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000575138482 491541465 /nfs/dbraw/zinc/54/14/65/491541465.db2.gz CFJPKTPEQYBPMT-HUUCEWRRSA-N 2 0 353.511 0.603 10 0 FCAERP CCC[C@@H]1CN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CCN1CCOC ZINC000575319241 491548405 /nfs/dbraw/zinc/54/84/05/491548405.db2.gz NKSOUMCKGRMOMX-NPYXIHBLSA-N 2 0 351.491 0.760 10 0 FCAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561239570 491587741 /nfs/dbraw/zinc/58/77/41/491587741.db2.gz YKNPFCYAKYXZSO-APWZRJJASA-N 2 0 350.507 0.969 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cc(F)ccc2N2CCOCC2)CC1 ZINC000576271666 491599344 /nfs/dbraw/zinc/59/93/44/491599344.db2.gz GLGIVDACVLXUFP-SFHVURJKSA-N 2 0 366.481 0.360 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000577202177 491601207 /nfs/dbraw/zinc/60/12/07/491601207.db2.gz RZVRCJBSZVJGGU-JCYILVPMSA-N 2 0 368.522 0.450 10 0 FCAERP C[NH+]1CCN(c2cccc(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)n2)CC1 ZINC000577405373 491619622 /nfs/dbraw/zinc/61/96/22/491619622.db2.gz WKASLUKURAVSQQ-UHFFFAOYSA-N 2 0 374.533 0.589 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000578320199 491674558 /nfs/dbraw/zinc/67/45/58/491674558.db2.gz FOAFFOXUUPMYJS-HNNXBMFYSA-N 2 0 355.479 0.807 10 0 FCAERP O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000579197188 491692815 /nfs/dbraw/zinc/69/28/15/491692815.db2.gz XGJATIWYRJLFOI-UYAOXDASSA-N 2 0 361.486 0.586 10 0 FCAERP COc1ccccc1OC[C@H](C)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000579228374 491693615 /nfs/dbraw/zinc/69/36/15/491693615.db2.gz KUAWQCLRYKGGGO-IAGOWNOFSA-N 2 0 351.491 0.908 10 0 FCAERP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000579623357 491701926 /nfs/dbraw/zinc/70/19/26/491701926.db2.gz CPVLSUIQPNKCHC-MRXNPFEDSA-N 2 0 354.495 0.062 10 0 FCAERP C[NH+]1CCN(c2ccc(NC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)cn2)CC1 ZINC000580547565 491735611 /nfs/dbraw/zinc/73/56/11/491735611.db2.gz JARHXIGJXRCSEH-GOOCMWNKSA-N 2 0 357.458 0.587 10 0 FCAERP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000580708619 491742485 /nfs/dbraw/zinc/74/24/85/491742485.db2.gz BMNUCAZTFPBCCB-IBGZPJMESA-N 2 0 350.507 0.921 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000580769464 491744905 /nfs/dbraw/zinc/74/49/05/491744905.db2.gz QUDOZPHLIDKMPC-QFBILLFUSA-N 2 0 350.482 0.850 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000580772803 491745064 /nfs/dbraw/zinc/74/50/64/491745064.db2.gz WECPTDNXXIKJBP-OAHLLOKOSA-N 2 0 363.462 0.831 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000580879007 491749970 /nfs/dbraw/zinc/74/99/70/491749970.db2.gz UFACASLXNLDDGQ-QGZVFWFLSA-N 2 0 367.538 0.025 10 0 FCAERP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000580904033 491751129 /nfs/dbraw/zinc/75/11/29/491751129.db2.gz ZWYVKGPWERVBDM-QUCCMNQESA-N 2 0 363.502 0.832 10 0 FCAERP C[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC(C)C2)C1 ZINC000580961926 491753389 /nfs/dbraw/zinc/75/33/89/491753389.db2.gz ILEFMVKYYBOVNT-IRXDYDNUSA-N 2 0 364.534 0.977 10 0 FCAERP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000582052985 491795608 /nfs/dbraw/zinc/79/56/08/491795608.db2.gz YQIFATQAEPHDGX-VAQLIOGMSA-N 2 0 352.479 0.347 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000582068380 491796743 /nfs/dbraw/zinc/79/67/43/491796743.db2.gz JPARCVSMDGFRRL-INIZCTEOSA-N 2 0 368.522 0.450 10 0 FCAERP C[N@@H+]1CCC[C@@H](NC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)C1 ZINC000591571046 491809060 /nfs/dbraw/zinc/80/90/60/491809060.db2.gz ACTVNWGYVZJZBY-MRXNPFEDSA-N 2 0 374.489 0.677 10 0 FCAERP CNC(=O)[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000583197971 491840043 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354.495 0.156 10 0 FCAERP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000612551701 491933837 /nfs/dbraw/zinc/93/38/37/491933837.db2.gz ITMWGRXRTIZCKX-KRWDZBQOSA-N 2 0 350.507 0.921 10 0 FCAERP CCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000612591835 491935414 /nfs/dbraw/zinc/93/54/14/491935414.db2.gz JMDZJDYKLXBXMB-SJORKVTESA-N 2 0 366.506 0.299 10 0 FCAERP O=C(NCC1=CC[NH2+]CC1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612917701 491958447 /nfs/dbraw/zinc/95/84/47/491958447.db2.gz XNAFCMDMRVTVAP-MRXNPFEDSA-N 2 0 373.505 0.628 10 0 FCAERP CSCC[C@H]([NH3+])C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595986638 491969186 /nfs/dbraw/zinc/96/91/86/491969186.db2.gz QWEXKGVMUIKXMM-KBPBESRZSA-N 2 0 366.535 0.606 10 0 FCAERP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000614506688 492034371 /nfs/dbraw/zinc/03/43/71/492034371.db2.gz YYURDZKDYGKQOY-IAGOWNOFSA-N 2 0 352.548 0.710 10 0 FCAERP 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350.507 0.824 10 0 FCAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659682845 493249808 /nfs/dbraw/zinc/24/98/08/493249808.db2.gz OZCJLEIMDOBLGP-RDFYBTABSA-N 2 0 356.470 0.888 10 0 FCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659682663 493249834 /nfs/dbraw/zinc/24/98/34/493249834.db2.gz NAJSQKCDDSGGJZ-XLNGHYISSA-N 2 0 362.449 0.836 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659693733 493256673 /nfs/dbraw/zinc/25/66/73/493256673.db2.gz JYKPPUKQYJCEQL-JJXOGSGTSA-N 2 0 370.497 0.881 10 0 FCAERP CC(C)(CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[N@@H+]1CCc2ccccc2C1 ZINC000659694175 493256901 /nfs/dbraw/zinc/25/69/01/493256901.db2.gz HGZIVQJXJJLTOM-UHFFFAOYSA-N 2 0 370.497 0.889 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000659694995 493257833 /nfs/dbraw/zinc/25/78/33/493257833.db2.gz QJJRQFZBORMBAJ-QGZVFWFLSA-N 2 0 361.490 0.652 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000659694863 493258027 /nfs/dbraw/zinc/25/80/27/493258027.db2.gz RQWKPWUBVGRDGG-GOEBONIOSA-N 2 0 354.495 0.093 10 0 FCAERP C[C@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659696750 493258939 /nfs/dbraw/zinc/25/89/39/493258939.db2.gz MUTZCQQPJHHNHC-JJXOGSGTSA-N 2 0 370.497 0.881 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000659698461 493259699 /nfs/dbraw/zinc/25/96/99/493259699.db2.gz NOOLBCWIKDGNAY-RYZJOYRSSA-N 2 0 356.470 0.889 10 0 FCAERP C[C@H]1C[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[N@@H+]1Cc1ccccc1 ZINC000659707581 493265470 /nfs/dbraw/zinc/26/54/70/493265470.db2.gz YINOXIQOZZLUJX-ABKMUHTPSA-N 2 0 356.470 0.715 10 0 FCAERP CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000682147643 493273593 /nfs/dbraw/zinc/27/35/93/493273593.db2.gz BRSOWKVFLHIHPF-UHFFFAOYSA-N 2 0 364.494 0.716 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cn1 ZINC000682180494 493275184 /nfs/dbraw/zinc/27/51/84/493275184.db2.gz BWYOOVNRGALPLF-INIZCTEOSA-N 2 0 362.478 0.470 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cnc2n1CCOC2 ZINC000667680357 493295918 /nfs/dbraw/zinc/29/59/18/493295918.db2.gz DZPMHHZSLYWGEO-UHFFFAOYSA-N 2 0 370.457 0.750 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000673174252 493298139 /nfs/dbraw/zinc/29/81/39/493298139.db2.gz NEIHXAALZCENNC-KBAYOESNSA-N 2 0 358.486 0.834 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC1CS(=O)(=O)C1 ZINC000682480447 493302925 /nfs/dbraw/zinc/30/29/25/493302925.db2.gz BUPMSOOQOJYJAD-INIZCTEOSA-N 2 0 374.551 0.479 10 0 FCAERP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000659941620 493305943 /nfs/dbraw/zinc/30/59/43/493305943.db2.gz ALQBQWPYGIBXAL-IBGZPJMESA-N 2 0 355.523 0.944 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)Cc1ccc(F)cc1 ZINC000673348731 493319976 /nfs/dbraw/zinc/31/99/76/493319976.db2.gz LYQXPTOWDFBESZ-MRXNPFEDSA-N 2 0 350.438 0.584 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000668585183 493380330 /nfs/dbraw/zinc/38/03/30/493380330.db2.gz JBXHRIGGTZBWJX-IXDOHACOSA-N 2 0 366.506 0.299 10 0 FCAERP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668625376 493386718 /nfs/dbraw/zinc/38/67/18/493386718.db2.gz ORSWVZYBTHELFU-HZPDHXFCSA-N 2 0 356.511 0.402 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CCO1 ZINC000668682190 493395838 /nfs/dbraw/zinc/39/58/38/493395838.db2.gz AMMLHNXKPZBKCH-KRWDZBQOSA-N 2 0 368.522 0.404 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCO1 ZINC000668826515 493415996 /nfs/dbraw/zinc/41/59/96/493415996.db2.gz DSXKLTLNKSKNDO-IRXDYDNUSA-N 2 0 366.506 0.156 10 0 FCAERP CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000685030786 493443808 /nfs/dbraw/zinc/44/38/08/493443808.db2.gz JHJXTPJISYQSPD-UHFFFAOYSA-N 2 0 350.467 0.328 10 0 FCAERP CCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000669250344 493482898 /nfs/dbraw/zinc/48/28/98/493482898.db2.gz JEYSIIMHKVKHOG-CVEARBPZSA-N 2 0 354.495 0.156 10 0 FCAERP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297187 493504607 /nfs/dbraw/zinc/50/46/07/493504607.db2.gz OHDCMARSVFTBKO-GDBMZVCRSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000676089254 493522574 /nfs/dbraw/zinc/52/25/74/493522574.db2.gz DOIFOLOMOYQJIK-CABCVRRESA-N 2 0 364.494 0.762 10 0 FCAERP COc1cccc([C@H]2[C@H](NC(=O)c3cn(CC[NH3+])nn3)CC[N@@H+]2C2CC2)c1 ZINC000662514566 493522759 /nfs/dbraw/zinc/52/27/59/493522759.db2.gz OVVKWBVVRBFPEP-AEFFLSMTSA-N 2 0 370.457 0.953 10 0 FCAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000662529457 493523946 /nfs/dbraw/zinc/52/39/46/493523946.db2.gz XGNZCCPLCBXHIL-INIZCTEOSA-N 2 0 350.463 0.347 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCSC1 ZINC000676097169 493524444 /nfs/dbraw/zinc/52/44/44/493524444.db2.gz JEYZEAUFXHDBDF-KRWDZBQOSA-N 2 0 374.470 0.759 10 0 FCAERP CC[NH+]1CCN(CCCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662757768 493539076 /nfs/dbraw/zinc/53/90/76/493539076.db2.gz NGHSJJXDXCBHLH-INIZCTEOSA-N 2 0 363.510 0.350 10 0 FCAERP COCC1(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC[NH2+]CC1 ZINC000662860447 493547228 /nfs/dbraw/zinc/54/72/28/493547228.db2.gz RXJQTPIVGJYADN-GOSISDBHSA-N 2 0 361.486 0.886 10 0 FCAERP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662861266 493547927 /nfs/dbraw/zinc/54/79/27/493547927.db2.gz ZGPMMQNZIAOMJV-ZWKOTPCHSA-N 2 0 374.485 0.128 10 0 FCAERP C[NH+](C)CC[C@@H](N)C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662887675 493549485 /nfs/dbraw/zinc/54/94/85/493549485.db2.gz NCHMBWRKWOWQJG-GOSISDBHSA-N 2 0 359.518 0.736 10 0 FCAERP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1=O ZINC000662885734 493549698 /nfs/dbraw/zinc/54/96/98/493549698.db2.gz VWNGKBVPTSMVIC-DOTOQJQBSA-N 2 0 360.458 0.696 10 0 FCAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000662929869 493555259 /nfs/dbraw/zinc/55/52/59/493555259.db2.gz IBCSKAABDCCCPL-IAGOWNOFSA-N 2 0 364.465 0.783 10 0 FCAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)C2)CC1 ZINC000662929971 493555530 /nfs/dbraw/zinc/55/55/30/493555530.db2.gz LFFMWSGPDWTHDP-VXESANQCSA-N 2 0 362.518 0.907 10 0 FCAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662963836 493562045 /nfs/dbraw/zinc/56/20/45/493562045.db2.gz YQNYCCRWPSGUTD-IAGOWNOFSA-N 2 0 350.507 0.777 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CCO1 ZINC000662974084 493562876 /nfs/dbraw/zinc/56/28/76/493562876.db2.gz ZYJLTUNSRXYRPX-GJZGRUSLSA-N 2 0 350.467 0.385 10 0 FCAERP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662974605 493563056 /nfs/dbraw/zinc/56/30/56/493563056.db2.gz MDLWQKLOKBZLKK-WBTXTPOCSA-N 2 0 370.497 0.712 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC([NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000663506513 493593215 /nfs/dbraw/zinc/59/32/15/493593215.db2.gz SUFHDSOVJZRTAS-UHFFFAOYSA-N 2 0 372.469 0.863 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000670981606 493618793 /nfs/dbraw/zinc/61/87/93/493618793.db2.gz UEQFGJYILRGIAT-JKSUJKDBSA-N 2 0 350.438 0.755 10 0 FCAERP CCN(C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CC[N@H+](C)C1 ZINC000663914907 493625328 /nfs/dbraw/zinc/62/53/28/493625328.db2.gz BONIKSLPBDIUIU-JKSUJKDBSA-N 2 0 353.511 0.665 10 0 FCAERP CCN(C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664141746 493639556 /nfs/dbraw/zinc/63/95/56/493639556.db2.gz BWYQYEOOUOGDEV-IAGOWNOFSA-N 2 0 353.511 0.129 10 0 FCAERP CN1CC[NH+](CCCCNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000664177306 493641952 /nfs/dbraw/zinc/64/19/52/493641952.db2.gz ZQVFRDIBXSAPBM-GOSISDBHSA-N 2 0 369.554 0.766 10 0 FCAERP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)N1CCc2sccc2C1 ZINC000671150749 493643577 /nfs/dbraw/zinc/64/35/77/493643577.db2.gz IPEGGLZCDVIKPO-UKRRQHHQSA-N 2 0 364.515 0.821 10 0 FCAERP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000671149776 493643753 /nfs/dbraw/zinc/64/37/53/493643753.db2.gz WHHIXZJSHGWCNI-OAHLLOKOSA-N 2 0 368.547 0.675 10 0 FCAERP C[NH+](C)[C@]1(CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCSC1 ZINC000664310511 493651898 /nfs/dbraw/zinc/65/18/98/493651898.db2.gz HXCJJYDXQXLQIL-WBVHZDCISA-N 2 0 356.536 0.664 10 0 FCAERP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000671821718 493707640 /nfs/dbraw/zinc/70/76/40/493707640.db2.gz BEMBCKHXBKSXIT-MRXNPFEDSA-N 2 0 362.474 0.454 10 0 FCAERP C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665459389 493716075 /nfs/dbraw/zinc/71/60/75/493716075.db2.gz CNFSRKAZECEFQJ-SFHVURJKSA-N 2 0 356.511 0.489 10 0 FCAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000672165027 493739480 /nfs/dbraw/zinc/73/94/80/493739480.db2.gz ICJMYSAYOGKNQE-HOTGVXAUSA-N 2 0 354.495 0.204 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C[C@@H]2[C@H](C)O)C1 ZINC000443339278 535119122 /nfs/dbraw/zinc/11/91/22/535119122.db2.gz BYIZDYNABSQCBK-WNRNVDISSA-N 2 0 355.523 0.941 10 0 FCAERP CC[NH+]1CCN(c2ccccc2NC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000414736020 535755638 /nfs/dbraw/zinc/75/56/38/535755638.db2.gz MJVXMVXTMQIVMH-UHFFFAOYSA-N 2 0 360.506 0.855 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424198849 535859843 /nfs/dbraw/zinc/85/98/43/535859843.db2.gz YDJNMOBBXDHJQA-LSDHHAIUSA-N 2 0 350.467 0.385 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000419938393 536122871 /nfs/dbraw/zinc/12/28/71/536122871.db2.gz PQNIFWKXDRGQMH-CVEARBPZSA-N 2 0 350.438 0.803 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC000419416465 536124452 /nfs/dbraw/zinc/12/44/52/536124452.db2.gz WBTDJTHJTYDUIP-HOTGVXAUSA-N 2 0 350.438 0.803 10 0 FCAERP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000419562910 536385014 /nfs/dbraw/zinc/38/50/14/536385014.db2.gz VYNXWHWIHXBRIG-HIFRSBDPSA-N 2 0 350.488 0.679 10 0 FCAERP Cc1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cccc1S(N)(=O)=O ZINC000153098243 547016414 /nfs/dbraw/zinc/01/64/14/547016414.db2.gz OKIQHFWGBQAMOT-UHFFFAOYSA-N 2 0 356.492 0.208 10 0 FCAERP O=C(C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1)NC1CC[NH+](C2CC2)CC1 ZINC000550502842 547089319 /nfs/dbraw/zinc/08/93/19/547089319.db2.gz UINXZXPPWFHEAO-MOPGFXCFSA-N 2 0 351.491 0.639 10 0 FCAERP CN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550828797 547109313 /nfs/dbraw/zinc/10/93/13/547109313.db2.gz NLBHURDLVQVWLE-YOEHRIQHSA-N 2 0 354.520 0.235 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000551024795 547120611 /nfs/dbraw/zinc/12/06/11/547120611.db2.gz XOCORFHKCUMYOU-HOTGVXAUSA-N 2 0 354.495 0.062 10 0 FCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000551160095 547131084 /nfs/dbraw/zinc/13/10/84/547131084.db2.gz ZIOOZMJIFDIWBK-MRXNPFEDSA-N 2 0 354.495 0.206 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000552934871 547240537 /nfs/dbraw/zinc/24/05/37/547240537.db2.gz QVOBWMPRGJICDL-OWCLPIDISA-N 2 0 354.495 0.155 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H](C)C2)C1 ZINC000553497222 547283616 /nfs/dbraw/zinc/28/36/16/547283616.db2.gz AJRYDAXMSCOYBT-IKGGRYGDSA-N 2 0 350.507 0.729 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1CC(C)(C)CO1 ZINC000898670994 665896185 /nfs/dbraw/zinc/89/61/85/665896185.db2.gz PCTHKNRBIOSXJH-OAHLLOKOSA-N 2 0 356.511 0.260 10 0 FCAERP C[C@@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000897263203 665157739 /nfs/dbraw/zinc/15/77/39/665157739.db2.gz GCPIGURAZJZKSC-KBAYOESNSA-N 2 0 350.507 0.192 10 0 FCAERP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000925154004 665172274 /nfs/dbraw/zinc/17/22/74/665172274.db2.gz NRRBQUMRSBXYCB-GVDBMIGSSA-N 2 0 368.547 0.930 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925154746 665173439 /nfs/dbraw/zinc/17/34/39/665173439.db2.gz ZRUMMVZSTSYSLZ-CVEARBPZSA-N 3 0 357.568 0.701 10 0 FCAERP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925177508 665178753 /nfs/dbraw/zinc/17/87/53/665178753.db2.gz NVBCJBVDDHVDGR-CABCVRRESA-N 2 0 371.551 0.228 10 0 FCAERP COCC[NH+](CCOC)C1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000908163143 666189517 /nfs/dbraw/zinc/18/95/17/666189517.db2.gz YLYWWZOWAOJRPH-WMZOPIPTSA-N 2 0 357.495 0.027 10 0 FCAERP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000912732065 666470940 /nfs/dbraw/zinc/47/09/40/666470940.db2.gz PKORCJRKCBGZLA-WMZOPIPTSA-N 2 0 353.507 0.935 10 0 FCAERP CC(C)[NH+]1CCN(CCC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000912732851 666471363 /nfs/dbraw/zinc/47/13/63/666471363.db2.gz INKPWHWBVSQJEV-SFHVURJKSA-N 2 0 354.539 0.972 10 0 FCAERP CCN1CCC([NH+]2CCC(C(=O)N3CCN(C)[C@@H](CO)C3)CC2)CC1 ZINC000913543910 666534617 /nfs/dbraw/zinc/53/46/17/666534617.db2.gz SNUCTJZWZLDKFO-GOSISDBHSA-N 2 0 352.523 0.318 10 0 FCAERP CCO[C@@H](CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+](C)C ZINC000918857370 667138193 /nfs/dbraw/zinc/13/81/93/667138193.db2.gz MYPQBSGRTSEYRQ-SJORKVTESA-N 2 0 356.511 0.896 10 0 FCAERP C[N@@H+]1CCCN(CCCNS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)CC1 ZINC000919693290 667195830 /nfs/dbraw/zinc/19/58/30/667195830.db2.gz OFWLDLJHUZRDSK-KRWDZBQOSA-N 2 0 358.552 0.419 10 0 FCAERP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000922168526 667608661 /nfs/dbraw/zinc/60/86/61/667608661.db2.gz MJIGRDNSYOWGGN-MWDXBVQZSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@@H]1CC[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C[C@@H]1C[NH3+] ZINC000923375473 667828996 /nfs/dbraw/zinc/82/89/96/667828996.db2.gz MSLSWLKKOPTRFK-ILXRZTDVSA-N 2 0 361.552 0.905 10 0 FCAERP C[C@@H]1C[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C[C@H]1CC[NH3+] ZINC000923427524 667833891 /nfs/dbraw/zinc/83/38/91/667833891.db2.gz BHBIDVACSYGEBC-KFWWJZLASA-N 2 0 361.552 0.905 10 0 FCAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1nnnn1CC1CCOCC1)CC2 ZINC000923452915 667837414 /nfs/dbraw/zinc/83/74/14/667837414.db2.gz UAXWTWOWXITIIG-OAHLLOKOSA-N 2 0 350.467 0.430 10 0 FCAERP CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)C(=O)OC ZINC000923450985 667837442 /nfs/dbraw/zinc/83/74/42/667837442.db2.gz KDWHNHVIJAMRSS-OFQRWUPVSA-N 2 0 355.479 0.520 10 0 FCAERP O=S(=O)(C1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1)N1CCCCC1 ZINC000923550534 667848713 /nfs/dbraw/zinc/84/87/13/667848713.db2.gz YSDZFAKBJMDUDL-HNNXBMFYSA-N 2 0 357.520 0.645 10 0 FCAERP C[C@H]1C[NH+](Cc2ccc(CNS(=O)(=O)C3C[NH2+]C3)cc2)C[C@H](C)O1 ZINC000923588848 667853057 /nfs/dbraw/zinc/85/30/57/667853057.db2.gz LVHKQDDAMWBIKT-KBPBESRZSA-N 2 0 353.488 0.687 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000923603792 667880808 /nfs/dbraw/zinc/88/08/08/667880808.db2.gz QIZFWARPRNPJCG-MRXNPFEDSA-N 2 0 368.503 0.149 10 0 FCAERP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000768717449 668094458 /nfs/dbraw/zinc/09/44/58/668094458.db2.gz RNQBVICLILPJOT-CQSZACIVSA-N 2 0 350.467 0.374 10 0 FCAERP C[C@H](C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000819058402 668975193 /nfs/dbraw/zinc/97/51/93/668975193.db2.gz KQWWWSGUNYQWBD-CVEARBPZSA-N 2 0 358.527 0.687 10 0 FCAERP CC(C)[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000819077007 668976259 /nfs/dbraw/zinc/97/62/59/668976259.db2.gz INWNUBSHUFJYFA-HOTGVXAUSA-N 2 0 358.527 0.734 10 0 FCAERP Cc1ccc(NC[C@H](O)C[NH+]2CCN(C)CC2)c(OCC[NH+](C)C)c1 ZINC000819444724 669004026 /nfs/dbraw/zinc/00/40/26/669004026.db2.gz LBKMSPZBOIDXRL-KRWDZBQOSA-N 2 0 350.507 0.956 10 0 FCAERP CON(C)C(=O)CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000799122668 669282002 /nfs/dbraw/zinc/28/20/02/669282002.db2.gz DUGXCRHLIYBBST-UHFFFAOYSA-N 2 0 356.511 0.812 10 0 FCAERP Cc1cc([C@@H]([NH3+])CC(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cc(Cl)n1 ZINC000832814360 669926696 /nfs/dbraw/zinc/92/66/96/669926696.db2.gz AFVKCWGKOOOZKB-NSHDSACASA-N 2 0 364.841 0.600 10 0 FCAERP CCOCCN(CC)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867412557 671101472 /nfs/dbraw/zinc/10/14/72/671101472.db2.gz YXROIIMAHBRKCV-HZPDHXFCSA-N 2 0 356.511 0.069 10 0 FCAERP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852883090 671529019 /nfs/dbraw/zinc/52/90/19/671529019.db2.gz GRRVEJXNHVFVBZ-KGLIPLIRSA-N 2 0 354.451 0.356 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000853683127 671553927 /nfs/dbraw/zinc/55/39/27/671553927.db2.gz NCJJDXWKRKPJDD-BBWFWOEESA-N 2 0 355.527 0.421 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(=O)n3c(C)csc3n1)C2 ZINC000903492968 675933326 /nfs/dbraw/zinc/93/33/26/675933326.db2.gz SMIBHHRXDMMAJD-JKDFXYPNSA-N 2 0 362.455 0.777 10 0 FCAERP [NH3+]C1(CNC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCCC1 ZINC000861649273 671977818 /nfs/dbraw/zinc/97/78/18/671977818.db2.gz DSWJZWVXWZFLRN-KGLIPLIRSA-N 2 0 351.451 0.225 10 0 FCAERP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903728197 675964537 /nfs/dbraw/zinc/96/45/37/675964537.db2.gz JRZDLAJHEBFIJP-CHWSQXEVSA-N 2 0 364.412 0.667 10 0 FCAERP CSCCCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903736819 675965585 /nfs/dbraw/zinc/96/55/85/675965585.db2.gz FXTQLBWBBYBGAF-IYBDPMFKSA-N 2 0 368.547 0.625 10 0 FCAERP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903744017 675966414 /nfs/dbraw/zinc/96/64/14/675966414.db2.gz YARYCGGJMSAJFV-OLZOCXBDSA-N 2 0 364.412 0.669 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903746952 675966927 /nfs/dbraw/zinc/96/69/27/675966927.db2.gz IGALLYKSMSOREG-DDHJBXDOSA-N 2 0 350.385 0.133 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903747695 675967231 /nfs/dbraw/zinc/96/72/31/675967231.db2.gz SNNLAHOTBXBWFJ-LPWJVIDDSA-N 2 0 364.412 0.523 10 0 FCAERP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903754834 675967990 /nfs/dbraw/zinc/96/79/90/675967990.db2.gz RVKWCYFBMSVDFN-NWDGAFQWSA-N 2 0 352.401 0.525 10 0 FCAERP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)C2)C1 ZINC000903776679 675972398 /nfs/dbraw/zinc/97/23/98/675972398.db2.gz VGALCKCGPBZTET-LALPHHSUSA-N 2 0 362.396 0.279 10 0 FCAERP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903787697 675973553 /nfs/dbraw/zinc/97/35/53/675973553.db2.gz VOWWQGBLFCPTFP-CHWSQXEVSA-N 2 0 364.412 0.525 10 0 FCAERP C[NH2+]CCN(C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C(C)C ZINC000903810445 675975634 /nfs/dbraw/zinc/97/56/34/675975634.db2.gz BFOITZYMPKNRKJ-UHFFFAOYSA-N 2 0 354.495 0.014 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903762471 675969744 /nfs/dbraw/zinc/96/97/44/675969744.db2.gz CMGUPXJSCVMXJO-RWMBFGLXSA-N 2 0 364.412 0.666 10 0 FCAERP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000863587537 672140599 /nfs/dbraw/zinc/14/05/99/672140599.db2.gz YKFOAMJVOAKCRO-OAGGEKHMSA-N 2 0 356.511 0.582 10 0 FCAERP Cc1c(C[C@@H](C[NH3+])CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cnn1C ZINC000903933892 675983555 /nfs/dbraw/zinc/98/35/55/675983555.db2.gz AFCZDKMACAJSJL-QXAKKESOSA-N 3 0 350.555 0.517 10 0 FCAERP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903933926 675983655 /nfs/dbraw/zinc/98/36/55/675983655.db2.gz BEAWXDYMPWZMMZ-GJZGRUSLSA-N 2 0 357.524 0.107 10 0 FCAERP COCCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)CC1CC[NH+](C)CC1 ZINC000903934695 675983827 /nfs/dbraw/zinc/98/38/27/675983827.db2.gz IUZLINUFUQVTGN-KRWDZBQOSA-N 2 0 350.511 0.993 10 0 FCAERP Cn1ncc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(Br)c1=O ZINC000866012847 672260331 /nfs/dbraw/zinc/26/03/31/672260331.db2.gz SCWGUDLUCBGOMY-VXGBXAGGSA-N 2 0 372.311 0.718 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000866334319 672268299 /nfs/dbraw/zinc/26/82/99/672268299.db2.gz UTABTTXFBILQHU-SUMWQHHRSA-N 2 0 374.551 0.995 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)nn1 ZINC000866688518 672288492 /nfs/dbraw/zinc/28/84/92/672288492.db2.gz RRBOERQXUOQSGY-OAHLLOKOSA-N 2 0 355.508 0.822 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C[C@H]1C ZINC000867514848 672329533 /nfs/dbraw/zinc/32/95/33/672329533.db2.gz QSSQNRCFHARQMM-WCXIOVBPSA-N 2 0 350.507 0.870 10 0 FCAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000867524920 672331149 /nfs/dbraw/zinc/33/11/49/672331149.db2.gz RGNAYVKKJCCENM-IKGGRYGDSA-N 2 0 350.507 0.872 10 0 FCAERP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867540936 672334274 /nfs/dbraw/zinc/33/42/74/672334274.db2.gz XRNMJWIGUISAEO-IRXDYDNUSA-N 2 0 350.507 0.873 10 0 FCAERP CC[C@]1(C)CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867551061 672335634 /nfs/dbraw/zinc/33/56/34/672335634.db2.gz ZQYFDMVWGDHXPF-GPMSIDNRSA-N 2 0 352.523 0.833 10 0 FCAERP CC[C@H](CSC)N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867552636 672336110 /nfs/dbraw/zinc/33/61/10/672336110.db2.gz MNDCACJNUQWALJ-BZUAXINKSA-N 2 0 372.579 0.784 10 0 FCAERP Cc1ncsc1CCS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867591047 672343982 /nfs/dbraw/zinc/34/39/82/672343982.db2.gz YFWGBJBRQWWVOS-HUUCEWRRSA-N 2 0 374.576 0.995 10 0 FCAERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cnc3n2CCC3)C[C@H]1C[NH+](C)C ZINC000867591021 672344017 /nfs/dbraw/zinc/34/40/17/672344017.db2.gz XJXBJVJSSROFGZ-ZIAGYGMSSA-N 2 0 355.508 0.189 10 0 FCAERP CC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC[C@H]1[NH3+] ZINC000868387450 672397662 /nfs/dbraw/zinc/39/76/62/672397662.db2.gz RSQRNXKCDYYTDA-HZPDHXFCSA-N 2 0 350.507 0.907 10 0 FCAERP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000868391865 672398212 /nfs/dbraw/zinc/39/82/12/672398212.db2.gz YNWOTYYHSNBQHR-MRXNPFEDSA-N 2 0 350.507 0.779 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000868421225 672400001 /nfs/dbraw/zinc/40/00/01/672400001.db2.gz JKFBNVNZASFIGY-IAGOWNOFSA-N 2 0 350.507 0.920 10 0 FCAERP Cn1ncc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1Br ZINC000870022093 672462159 /nfs/dbraw/zinc/46/21/59/672462159.db2.gz NVSRLUCCCHAWLP-VXGBXAGGSA-N 2 0 372.311 0.994 10 0 FCAERP CC(C)C(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023384 672462191 /nfs/dbraw/zinc/46/21/91/672462191.db2.gz WIFYAISKSXMOFW-ZACQAIPSSA-N 2 0 352.523 0.831 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C[C@H]1C[NH+](C)C ZINC000870024156 672462427 /nfs/dbraw/zinc/46/24/27/672462427.db2.gz VROFOPRFQDXPCV-BSXFFOKHSA-N 2 0 368.547 0.638 10 0 FCAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000870997017 672524525 /nfs/dbraw/zinc/52/45/25/672524525.db2.gz ITZJEYOFNGJDBF-XHSDSOJGSA-N 2 0 350.463 0.500 10 0 FCAERP CN(C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000872189360 672598272 /nfs/dbraw/zinc/59/82/72/672598272.db2.gz GFIYFFBCUZFOLP-UHTWSYAYSA-N 2 0 362.396 0.277 10 0 FCAERP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872193227 672601476 /nfs/dbraw/zinc/60/14/76/672601476.db2.gz SEZVUYXQPTUAFS-WCQYABFASA-N 2 0 364.412 0.571 10 0 FCAERP CC(C)(O)C[C@H](O)C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000872199672 672604925 /nfs/dbraw/zinc/60/49/25/672604925.db2.gz AHDIFZTZPACQGW-INIZCTEOSA-N 2 0 351.495 0.490 10 0 FCAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872304401 672612174 /nfs/dbraw/zinc/61/21/74/672612174.db2.gz WAGJPGOSHILNHV-XHSDSOJGSA-N 2 0 350.463 0.646 10 0 FCAERP CN(C)c1noc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000875570428 672894146 /nfs/dbraw/zinc/89/41/46/672894146.db2.gz NVWIDEARFXMLJD-CHWSQXEVSA-N 2 0 353.471 0.016 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925179089 673782540 /nfs/dbraw/zinc/78/25/40/673782540.db2.gz RSPIGQNHPXVNCY-CVEARBPZSA-N 2 0 357.568 0.749 10 0 FCAERP CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925488674 673793017 /nfs/dbraw/zinc/79/30/17/673793017.db2.gz FACOEQFNFCTFRS-IAGOWNOFSA-N 2 0 358.552 0.322 10 0 FCAERP COCCNS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925591181 673794959 /nfs/dbraw/zinc/79/49/59/673794959.db2.gz YGIQKXUKSVISML-CVEARBPZSA-N 2 0 353.488 0.971 10 0 FCAERP COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925591184 673795083 /nfs/dbraw/zinc/79/50/83/673795083.db2.gz YGIQKXUKSVISML-JKSUJKDBSA-N 2 0 353.488 0.971 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926297014 673820668 /nfs/dbraw/zinc/82/06/68/673820668.db2.gz FPNUXOCGOSQWOW-JKSUJKDBSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[C@H]1C[NH3+] ZINC000926347408 673825137 /nfs/dbraw/zinc/82/51/37/673825137.db2.gz PCAXYINLIRGVQW-CABCVRRESA-N 2 0 350.463 0.613 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[C@H]1C[NH3+] ZINC000926347067 673825191 /nfs/dbraw/zinc/82/51/91/673825191.db2.gz LHSLTOMCPBTPNJ-IKGGRYGDSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[C@H]1C[NH3+] ZINC000926347410 673825232 /nfs/dbraw/zinc/82/52/32/673825232.db2.gz PCAXYINLIRGVQW-GJZGRUSLSA-N 2 0 350.463 0.613 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)[C@H](C)C1 ZINC000926349192 673825567 /nfs/dbraw/zinc/82/55/67/673825567.db2.gz ZBKKQRWDQMWETJ-GJYPPUQNSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC[C@H]1C[NH3+] ZINC000926394211 673829523 /nfs/dbraw/zinc/82/95/23/673829523.db2.gz ALVXDBUUCXOMOX-HOTGVXAUSA-N 2 0 350.507 0.907 10 0 FCAERP CC(C)C[C@H]1CN(C)CCN1C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000926442709 673831468 /nfs/dbraw/zinc/83/14/68/673831468.db2.gz LSHYKXFKBLXZKB-QFBILLFUSA-N 2 0 350.507 0.777 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC2(CCOCC2)O1 ZINC000927181219 673853384 /nfs/dbraw/zinc/85/33/84/673853384.db2.gz UNVYZGAZPNCKFT-MRXNPFEDSA-N 2 0 356.511 0.849 10 0 FCAERP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000927635179 673872229 /nfs/dbraw/zinc/87/22/29/673872229.db2.gz QATSTUIOLPRMSA-DLBZAZTESA-N 2 0 354.495 0.386 10 0 FCAERP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000927635186 673872584 /nfs/dbraw/zinc/87/25/84/673872584.db2.gz QBMSHBCBJMCCBB-DOTOQJQBSA-N 2 0 354.495 0.386 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nc2c(s1)COCC2 ZINC000927689387 673876928 /nfs/dbraw/zinc/87/69/28/673876928.db2.gz VMSVBXHUFKDUOH-UHFFFAOYSA-N 2 0 355.508 0.851 10 0 FCAERP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000929279845 673947886 /nfs/dbraw/zinc/94/78/86/673947886.db2.gz HRSWZYWIOIZMFA-QGZVFWFLSA-N 2 0 355.523 0.822 10 0 FCAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000929745361 673974665 /nfs/dbraw/zinc/97/46/65/673974665.db2.gz OIOZKSFOLDYZLH-VHDGCEQUSA-N 2 0 352.504 0.035 10 0 FCAERP CCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000929836784 673979952 /nfs/dbraw/zinc/97/99/52/673979952.db2.gz YZAXLQDYJWZGIT-HNAYVOBHSA-N 2 0 350.507 0.777 10 0 FCAERP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000929866909 673981468 /nfs/dbraw/zinc/98/14/68/673981468.db2.gz JHWRSCYXJANXJK-CABCVRRESA-N 2 0 356.536 0.531 10 0 FCAERP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000929867440 673981510 /nfs/dbraw/zinc/98/15/10/673981510.db2.gz OAISVQFWMMISAC-MRXNPFEDSA-N 2 0 354.495 0.204 10 0 FCAERP C[C@H](O)[C@@H]1CCC[NH+]([C@@H](C)CNC(=O)C[N@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000930059488 673995796 /nfs/dbraw/zinc/99/57/96/673995796.db2.gz DKKYYUCAEGQIFQ-NNPSNHGLSA-N 2 0 355.523 0.677 10 0 FCAERP CN(C(=O)C[C@]1(O)CCC[NH+](C)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900670708 675706085 /nfs/dbraw/zinc/70/60/85/675706085.db2.gz UAEUNAOOCPIKLS-PKOBYXMFSA-N 2 0 352.523 0.460 10 0 FCAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)COC1CC[NH+](C)CC1 ZINC001746157865 1192241212 /nfs/dbraw/zinc/24/12/12/1192241212.db2.gz KQTSMNYFBYTRMO-HLLBOEOZSA-N 2 0 368.522 0.448 10 0 FCAERP Cc1cc(CN2CCN(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)ncn1 ZINC001266285758 1167876571 /nfs/dbraw/zinc/87/65/71/1167876571.db2.gz MBFBPWSNKFUTFD-SJLPKXTDSA-N 2 0 360.506 0.359 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC001719581907 1168442737 /nfs/dbraw/zinc/44/27/37/1168442737.db2.gz BWBMLESXNFFGDG-CVEARBPZSA-N 2 0 350.507 0.729 10 0 FCAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001719616163 1170388712 /nfs/dbraw/zinc/38/87/12/1170388712.db2.gz YVISMDFOFJWDMA-XHSDSOJGSA-N 2 0 354.495 0.012 10 0 FCAERP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001482925570 1192433936 /nfs/dbraw/zinc/43/39/36/1192433936.db2.gz RVQCLJOZPJSJIJ-QLFBSQMISA-N 2 0 369.510 0.389 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C)C1 ZINC001719645483 1171743909 /nfs/dbraw/zinc/74/39/09/1171743909.db2.gz VIMUSTHZADZKPI-OAGGEKHMSA-N 2 0 354.495 0.012 10 0 FCAERP CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000125309654 1171900792 /nfs/dbraw/zinc/90/07/92/1171900792.db2.gz IOGBXCQJFLPISZ-UHFFFAOYSA-N 2 0 364.494 0.620 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]C[C@@H]2CCNC(=O)CC2)CC[N@@H+]1C ZINC001272168456 1192685280 /nfs/dbraw/zinc/68/52/80/1192685280.db2.gz IWIAEZDALFNDMH-YESZJQIVSA-N 2 0 368.522 0.044 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000898043931 1192854363 /nfs/dbraw/zinc/85/43/63/1192854363.db2.gz FPWKXXJABPKJFM-HZPDHXFCSA-N 2 0 361.490 0.965 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCN1c1cc[nH+]cc1 ZINC000898070563 1192857114 /nfs/dbraw/zinc/85/71/14/1192857114.db2.gz SLCAXVBPYWJIIP-SJORKVTESA-N 2 0 373.501 0.967 10 0 FCAERP CCNC(=O)NC(=O)[C@H](C)N(CC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001267241950 1178964696 /nfs/dbraw/zinc/96/46/96/1178964696.db2.gz QNKWELTZGQRZDF-SOUVJXGZSA-N 2 0 369.510 0.389 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001719684018 1179362966 /nfs/dbraw/zinc/36/29/66/1179362966.db2.gz HKARDBRLZWNXLZ-HLIPFELVSA-N 2 0 362.518 0.587 10 0 FCAERP CCN(CC)C(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001481487064 1186145626 /nfs/dbraw/zinc/14/56/26/1186145626.db2.gz ZHKICFUOFAYCGV-IXDOHACOSA-N 2 0 352.523 0.975 10 0 FCAERP CC(C)S(=O)(=O)CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001670784100 1186399500 /nfs/dbraw/zinc/39/95/00/1186399500.db2.gz FLCWWCAJGUBHIE-HUUCEWRRSA-N 2 0 359.536 0.778 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001481726017 1187470691 /nfs/dbraw/zinc/47/06/91/1187470691.db2.gz CEDYHVXJSBHQGC-OWCLPIDISA-N 2 0 359.536 0.684 10 0 FCAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)NCCCC[NH+]3CCOCC3)CC2)CCO1 ZINC000126350776 1187823309 /nfs/dbraw/zinc/82/33/09/1187823309.db2.gz FWFMVQNRAQUCRT-QGZVFWFLSA-N 2 0 368.522 0.994 10 0 FCAERP COCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001270608407 1188211452 /nfs/dbraw/zinc/21/14/52/1188211452.db2.gz ZXFXVFACIHDKEF-ZIFCJYIRSA-N 2 0 369.506 0.483 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000550094860 1188223014 /nfs/dbraw/zinc/22/30/14/1188223014.db2.gz JXIQGHXATZUEER-GVDBMIGSSA-N 2 0 368.522 0.401 10 0 FCAERP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H](O)Cn2ccnn2)c2c1OC(F)(F)O2 ZINC000894983224 1188343019 /nfs/dbraw/zinc/34/30/19/1188343019.db2.gz BKVNRDBAUHRHBJ-CYBMUJFWSA-N 2 0 369.372 0.812 10 0 FCAERP CCC[NH+]1CCN(c2ccccc2C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CC1 ZINC000895313987 1189833424 /nfs/dbraw/zinc/83/34/24/1189833424.db2.gz IAROIMCOKNEAKO-IRXDYDNUSA-N 2 0 373.501 0.237 10 0 FCAERP C[NH+](C)CCn1c2cc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)ccc2oc1=O ZINC000895979985 1189909322 /nfs/dbraw/zinc/90/93/22/1189909322.db2.gz CLBGURBKNUVESN-OAHLLOKOSA-N 2 0 374.441 0.815 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001719897226 1190189376 /nfs/dbraw/zinc/18/93/76/1190189376.db2.gz BUOLPRPJUGANJU-HHARLNAUSA-N 2 0 350.507 0.917 10 0 FCAERP CCCn1nnnc1CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001482530940 1190718155 /nfs/dbraw/zinc/71/81/55/1190718155.db2.gz IGMMKGOCGFHBJI-RBSFLKMASA-N 2 0 351.499 0.654 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1cncn1C ZINC001719903822 1190740316 /nfs/dbraw/zinc/74/03/16/1190740316.db2.gz ITQSNLIINVNWHU-OIISXLGYSA-N 2 0 361.490 0.941 10 0 FCAERP O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897353355 1190750550 /nfs/dbraw/zinc/75/05/50/1190750550.db2.gz HZVNMAFMVNFFTI-PMACEKPBSA-N 2 0 373.497 0.980 10 0 FCAERP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897458463 1191197235 /nfs/dbraw/zinc/19/72/35/1191197235.db2.gz BOAMMXLKQXORPL-CTNGQTDRSA-N 2 0 373.497 0.803 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000550687662 1193734707 /nfs/dbraw/zinc/73/47/07/1193734707.db2.gz MJGRVJRHOOQWAS-QGZVFWFLSA-N 2 0 368.522 0.450 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000550954524 1193822115 /nfs/dbraw/zinc/82/21/15/1193822115.db2.gz UYWCCDRHIHMXIA-KRWDZBQOSA-N 2 0 368.522 0.548 10 0 FCAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000551166080 1193838593 /nfs/dbraw/zinc/83/85/93/1193838593.db2.gz YOEMYARQXBZEBF-INIZCTEOSA-N 2 0 368.522 0.404 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000551843430 1193874516 /nfs/dbraw/zinc/87/45/16/1193874516.db2.gz CXIAWOXRDXYJSX-GOSISDBHSA-N 2 0 360.502 0.830 10 0 FCAERP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000553735783 1194018299 /nfs/dbraw/zinc/01/82/99/1194018299.db2.gz ZAFCHPLMYJAZRH-SJORKVTESA-N 2 0 366.506 0.300 10 0 FCAERP O=C([C@@H]1CC[C@H]1C(=O)N1CC([NH+]2CCCC2)C1)N1CC([NH+]2CCCC2)C1 ZINC000898596971 1194049727 /nfs/dbraw/zinc/04/97/27/1194049727.db2.gz ASDITTKHQFYMLR-QZTJIDSGSA-N 2 0 360.502 0.626 10 0 FCAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001483151379 1194425201 /nfs/dbraw/zinc/42/52/01/1194425201.db2.gz DVVQATKXYIIHQD-MCIONIFRSA-N 2 0 367.412 0.913 10 0 FCAERP 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C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000818981902 1203146927 /nfs/dbraw/zinc/14/69/27/1203146927.db2.gz YKMHXDIQNPBZFQ-SJORKVTESA-N 2 0 370.538 0.974 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(N3CCCCC3=O)cc2)CC1 ZINC000818972079 1203147449 /nfs/dbraw/zinc/14/74/49/1203147449.db2.gz CWFRZJIABULVOW-LJQANCHMSA-N 2 0 360.502 0.901 10 0 FCAERP CN(Cc1ccccc1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867273649 1208257370 /nfs/dbraw/zinc/25/73/70/1208257370.db2.gz AIWPIGJSKBPBJA-QZTJIDSGSA-N 2 0 360.502 0.843 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC001488003266 1208418735 /nfs/dbraw/zinc/41/87/35/1208418735.db2.gz YDAYCRFDPCITQB-BRWVUGGUSA-N 2 0 368.522 0.186 10 0 FCAERP COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000776249234 1208483436 /nfs/dbraw/zinc/48/34/36/1208483436.db2.gz OHWUOYNFCFFSNT-CVEARBPZSA-N 2 0 371.526 0.988 10 0 FCAERP 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C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NCC4CC4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001489193801 1208656588 /nfs/dbraw/zinc/65/65/88/1208656588.db2.gz OLCZLWWTOASVKT-NRSFXHEJSA-N 2 0 362.518 0.633 10 0 FCAERP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001489206153 1208670184 /nfs/dbraw/zinc/67/01/84/1208670184.db2.gz ODUSEVKAAHPQTK-SQNIBIBYSA-N 2 0 362.518 0.587 10 0 FCAERP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001489396178 1208815425 /nfs/dbraw/zinc/81/54/25/1208815425.db2.gz ULLZKVASBDDMIB-IXDOHACOSA-N 2 0 368.522 0.281 10 0 FCAERP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001489484611 1208860235 /nfs/dbraw/zinc/86/02/35/1208860235.db2.gz SXAGMQKFWAFECS-LTIDMASMSA-N 2 0 368.522 0.258 10 0 FCAERP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001489492649 1208888897 /nfs/dbraw/zinc/88/88/97/1208888897.db2.gz PYLZJNMULDRGFQ-HZPDHXFCSA-N 2 0 350.507 0.920 10 0 FCAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001489543670 1208904036 /nfs/dbraw/zinc/90/40/36/1208904036.db2.gz LQSLZLZSWXBMGI-OWCLPIDISA-N 2 0 354.495 0.155 10 0 FCAERP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC[C@H]2C)C[C@H]1OC ZINC001489545824 1208908082 /nfs/dbraw/zinc/90/80/82/1208908082.db2.gz XVYIJCNYBRUWLL-BZUAXINKSA-N 2 0 354.495 0.155 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001489651907 1209038312 /nfs/dbraw/zinc/03/83/12/1209038312.db2.gz ZIFKWVFTDSOKDH-FGTMMUONSA-N 2 0 362.518 0.728 10 0 FCAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001489894482 1209115442 /nfs/dbraw/zinc/11/54/42/1209115442.db2.gz NFWFKPZQKYQVTO-GVDBMIGSSA-N 2 0 368.522 0.450 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001490040632 1209222214 /nfs/dbraw/zinc/22/22/14/1209222214.db2.gz KNKHAAPLUSACIH-IKGGRYGDSA-N 2 0 350.507 0.587 10 0 FCAERP CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C1)[NH+](C)C ZINC001490044598 1209225392 /nfs/dbraw/zinc/22/53/92/1209225392.db2.gz PWEVVJKJHKRHBS-SOLBZPMBSA-N 2 0 352.523 0.831 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)CC[N@@H+]1C ZINC001490352738 1209310912 /nfs/dbraw/zinc/31/09/12/1209310912.db2.gz OLCJVURGGSVABB-QBPKDAKJSA-N 2 0 352.523 0.879 10 0 FCAERP CCN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000850582300 1209459444 /nfs/dbraw/zinc/45/94/44/1209459444.db2.gz DCFCVFFYUXRITN-MRXNPFEDSA-N 2 0 373.501 0.930 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)cc2)CC1 ZINC000850857274 1209492856 /nfs/dbraw/zinc/49/28/56/1209492856.db2.gz RRZCKUYFHKWZNL-UHFFFAOYSA-N 2 0 371.485 0.635 10 0 FCAERP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000851689404 1209514800 /nfs/dbraw/zinc/51/48/00/1209514800.db2.gz OLQNOCXPGLZNST-RDJZCZTQSA-N 2 0 358.486 0.868 10 0 FCAERP [NH3+]C[C@@H]1CC(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)=NO1 ZINC000852866669 1209569799 /nfs/dbraw/zinc/56/97/99/1209569799.db2.gz JWGGUFSGEWPOOE-INIZCTEOSA-N 2 0 373.457 0.232 10 0 FCAERP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852872354 1209569981 /nfs/dbraw/zinc/56/99/81/1209569981.db2.gz FABSSWWGLNKNQH-CQSZACIVSA-N 2 0 361.446 0.879 10 0 FCAERP CC[NH+]1CCN(Cc2ccc(CNC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000852873177 1209572224 /nfs/dbraw/zinc/57/22/24/1209572224.db2.gz QGXZERSEHGDCLV-QGZVFWFLSA-N 2 0 359.474 0.544 10 0 FCAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)ccn1 ZINC000856591274 1209716350 /nfs/dbraw/zinc/71/63/50/1209716350.db2.gz LUURAIDHXRHGOM-MRXNPFEDSA-N 2 0 361.446 0.538 10 0 FCAERP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000861491266 1209867999 /nfs/dbraw/zinc/86/79/99/1209867999.db2.gz MBEAUBIEYOCOLY-CVEARBPZSA-N 2 0 374.441 0.087 10 0 FCAERP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861566488 1209871371 /nfs/dbraw/zinc/87/13/71/1209871371.db2.gz LXFXSERDNUHUSV-IMJJTQAJSA-N 2 0 367.494 0.683 10 0 FCAERP C[C@H](NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[C@H]1CCC[NH2+]C1 ZINC000861638554 1209873077 /nfs/dbraw/zinc/87/30/77/1209873077.db2.gz DGEXEKIOGJSRPI-UGQVUOCMSA-N 2 0 365.478 0.341 10 0 FCAERP O=C(NCCC1=CC[NH2+]CC1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861643370 1209873191 /nfs/dbraw/zinc/87/31/91/1209873191.db2.gz DPOSAXLGNAHBTM-CVEARBPZSA-N 2 0 363.462 0.263 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000863770429 1209951826 /nfs/dbraw/zinc/95/18/26/1209951826.db2.gz NDMMURYJXAWDDF-IBGZPJMESA-N 2 0 364.490 0.054 10 0 FCAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000867550586 1210011840 /nfs/dbraw/zinc/01/18/40/1210011840.db2.gz OIGZCTKGCPGFEK-BZSNNMDCSA-N 2 0 362.518 0.729 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)C[C@H]1C[NH+](C)C ZINC000867601830 1210016844 /nfs/dbraw/zinc/01/68/44/1210016844.db2.gz QQKXPDNMQAJYNQ-XMTFNYHQSA-N 2 0 364.534 0.833 10 0 FCAERP CCC(O)(CC)CN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867655568 1210020277 /nfs/dbraw/zinc/02/02/77/1210020277.db2.gz XSZZTJXHMGNNFR-HZPDHXFCSA-N 2 0 370.538 0.194 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1C[NH+](C)C ZINC000867677872 1210021523 /nfs/dbraw/zinc/02/15/23/1210021523.db2.gz PFEWIIBDXPFEOG-UYTYNIKBSA-N 2 0 364.534 0.737 10 0 FCAERP Cc1cc(N)cc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000868262944 1210048439 /nfs/dbraw/zinc/04/84/39/1210048439.db2.gz HTCQCFPRZPQBPN-HUUCEWRRSA-N 2 0 361.490 0.714 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)CC[C@@H]21 ZINC000868309800 1210050809 /nfs/dbraw/zinc/05/08/09/1210050809.db2.gz MLUFOVAGYRRXKA-BBRMVZONSA-N 2 0 358.442 0.660 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000868343566 1210053991 /nfs/dbraw/zinc/05/39/91/1210053991.db2.gz IZRDHXFLJHUELX-KKUMJFAQSA-N 2 0 370.494 0.109 10 0 FCAERP C[NH+]1CCC2(CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)CC2)CC1 ZINC000868385874 1210057943 /nfs/dbraw/zinc/05/79/43/1210057943.db2.gz AJSFOYPFLNUPRF-ULQDDVLXSA-N 2 0 362.518 0.907 10 0 FCAERP C[NH+]1CCC2(CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)CC2)CC1 ZINC000868385871 1210058274 /nfs/dbraw/zinc/05/82/74/1210058274.db2.gz AJSFOYPFLNUPRF-BBWFWOEESA-N 2 0 362.518 0.907 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)cn1 ZINC000869775388 1210094279 /nfs/dbraw/zinc/09/42/79/1210094279.db2.gz MORRRYNUCFFWDY-GVDBMIGSSA-N 2 0 363.506 0.417 10 0 FCAERP CN1CC(=O)Nc2cc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cnc21 ZINC000870016783 1210099400 /nfs/dbraw/zinc/09/94/00/1210099400.db2.gz ZNTKMPSGSBDYCX-HUUCEWRRSA-N 2 0 374.489 0.281 10 0 FCAERP CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016911 1210099531 /nfs/dbraw/zinc/09/95/31/1210099531.db2.gz AYBXMRQKRYCPHC-CLCXKQKWSA-N 2 0 371.522 0.931 10 0 FCAERP Cn1cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(-c2cccnc2)n1 ZINC000872254535 1210182901 /nfs/dbraw/zinc/18/29/01/1210182901.db2.gz HDBKXARRNUUDKM-BBWFWOEESA-N 2 0 368.441 0.849 10 0 FCAERP [NH3+]C[C@H](C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccccc1 ZINC000872263960 1210184805 /nfs/dbraw/zinc/18/48/05/1210184805.db2.gz GALUTRDMVOQIBU-BBWFWOEESA-N 2 0 358.442 0.513 10 0 FCAERP COc1cccc([C@@H]([NH3+])C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872302872 1210188996 /nfs/dbraw/zinc/18/89/96/1210188996.db2.gz PGWZTPYNAHSHFD-DMRZNYOFSA-N 2 0 360.414 0.089 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC2CN(c3ccncn3)C2)C[C@H]1C[NH+](C)C ZINC000876066269 1210399080 /nfs/dbraw/zinc/39/90/80/1210399080.db2.gz BHUOOTXKIHUYGG-HUUCEWRRSA-N 2 0 361.494 0.046 10 0 FCAERP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000878214716 1210456679 /nfs/dbraw/zinc/45/66/79/1210456679.db2.gz VVKQXSLMIFOQDJ-OAHLLOKOSA-N 2 0 359.474 0.943 10 0 FCAERP CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001275936588 1211312737 /nfs/dbraw/zinc/31/27/37/1211312737.db2.gz UMVQYNSPWMOBAR-JQHSSLGASA-N 2 0 360.502 0.904 10 0 FCAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC[NH2+]CC1 ZINC000925850787 1211508704 /nfs/dbraw/zinc/50/87/04/1211508704.db2.gz WQEAVTVDRWVKPL-CABCVRRESA-N 3 0 367.490 0.583 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C1N=NC(=O)N1C ZINC000926140857 1211517863 /nfs/dbraw/zinc/51/78/63/1211517863.db2.gz JPIGWFGSRSHRSG-ZIAGYGMSSA-N 2 0 367.498 0.639 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926333210 1211532687 /nfs/dbraw/zinc/53/26/87/1211532687.db2.gz OQOOAHVVMFARIQ-IBGZPJMESA-N 2 0 368.522 0.548 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC[C@H]1C[NH3+] ZINC000926348602 1211537017 /nfs/dbraw/zinc/53/70/17/1211537017.db2.gz SSXFISJLBBFVBE-PMPSAXMXSA-N 2 0 366.506 0.141 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[C@H]1C[NH3+] ZINC000926357489 1211538787 /nfs/dbraw/zinc/53/87/87/1211538787.db2.gz XPDHCBUAQFSJFD-CVEARBPZSA-N 2 0 368.522 0.389 10 0 FCAERP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926365034 1211539802 /nfs/dbraw/zinc/53/98/02/1211539802.db2.gz RTOFEJOEUMFQMS-KXBFYZLASA-N 2 0 366.506 0.035 10 0 FCAERP O=C(C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000926394378 1211545158 /nfs/dbraw/zinc/54/51/58/1211545158.db2.gz AUZAKVPSLRMEDX-HXUWFJFHSA-N 2 0 371.485 0.911 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000926414200 1211547132 /nfs/dbraw/zinc/54/71/32/1211547132.db2.gz WPHWJXBJCWQVMO-DLBZAZTESA-N 2 0 362.518 0.921 10 0 FCAERP CCO[C@@H](CNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1)C[NH+](C)C ZINC000926842837 1211557316 /nfs/dbraw/zinc/55/73/16/1211557316.db2.gz SHACIJNTPZOHGM-HNNXBMFYSA-N 2 0 365.478 0.889 10 0 FCAERP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000927813311 1211582958 /nfs/dbraw/zinc/58/29/58/1211582958.db2.gz XAZCNLUENSESJZ-RHSMWYFYSA-N 2 0 359.474 0.491 10 0 FCAERP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000927817227 1211583196 /nfs/dbraw/zinc/58/31/96/1211583196.db2.gz HXHFPZQKKJSVQS-CABCVRRESA-N 2 0 362.474 0.927 10 0 FCAERP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)cc1 ZINC000927841859 1211584632 /nfs/dbraw/zinc/58/46/32/1211584632.db2.gz UMCZOTMNNCGDDX-UHFFFAOYSA-N 2 0 361.490 0.269 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)cn2)CC[NH+]1C ZINC000928436679 1211601958 /nfs/dbraw/zinc/60/19/58/1211601958.db2.gz VHQQELBQSYGBAP-RRCSTGOVSA-N 2 0 359.474 0.726 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2cnc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)cn2)CC[NH+]1C ZINC000928425374 1211602293 /nfs/dbraw/zinc/60/22/93/1211602293.db2.gz CGAJEJZOAHBHHX-AAVRWANBSA-N 2 0 360.462 0.121 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2)Cc1ccccc1 ZINC000929187025 1211621889 /nfs/dbraw/zinc/62/18/89/1211621889.db2.gz ZSGAPKQUXFOHCR-GOSISDBHSA-N 2 0 372.513 0.972 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000929231722 1211624488 /nfs/dbraw/zinc/62/44/88/1211624488.db2.gz IEAHDQVIZDRISW-INIZCTEOSA-N 2 0 370.538 0.506 10 0 FCAERP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000929512231 1211643527 /nfs/dbraw/zinc/64/35/27/1211643527.db2.gz ZXCBLOGEMCTASJ-MAUKXSAKSA-N 2 0 373.501 0.791 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[NH+]1CCCCC1 ZINC000929604573 1211649625 /nfs/dbraw/zinc/64/96/25/1211649625.db2.gz DVYZPCWTQLKXHX-BRWVUGGUSA-N 2 0 366.506 0.035 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1)C1CCCC1 ZINC000929996342 1211680329 /nfs/dbraw/zinc/68/03/29/1211680329.db2.gz JLLDGSTTWVEECI-QGZVFWFLSA-N 2 0 366.506 0.347 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO)C1CCCC1 ZINC000929996380 1211680369 /nfs/dbraw/zinc/68/03/69/1211680369.db2.gz KEUUSNDFBOHLPY-DLBZAZTESA-N 2 0 366.506 0.035 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C[N@@H+]1C1CC1 ZINC000930478657 1211709015 /nfs/dbraw/zinc/70/90/15/1211709015.db2.gz GNJJNQBTALPIDU-HFTRVMKXSA-N 2 0 373.501 0.932 10 0 FCAERP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000930829098 1211724423 /nfs/dbraw/zinc/72/44/23/1211724423.db2.gz XVACVHMBLLXBEG-WBVHZDCISA-N 2 0 366.506 0.204 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)C[C@]3(O)CCC[N@H+](C)C3)cn2)CC1 ZINC000900066589 1217959065 /nfs/dbraw/zinc/95/90/65/1217959065.db2.gz UYHUMFNGTSDCHT-LJQANCHMSA-N 2 0 361.490 0.296 10 0 FCAERP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900209144 1217971625 /nfs/dbraw/zinc/97/16/25/1217971625.db2.gz PXWALAHPSRNKKN-CTNGQTDRSA-N 2 0 374.529 0.895 10 0 FCAERP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc1 ZINC000900598944 1218010417 /nfs/dbraw/zinc/01/04/17/1218010417.db2.gz AYECXHZBJNJIOT-QFBILLFUSA-N 2 0 362.474 0.049 10 0 FCAERP Cn1cnc2c1c(=O)n(CCC[NH2+][C@H]1CC[NH2+]C13CCCC3)c(=O)n2C ZINC000903484177 1218424256 /nfs/dbraw/zinc/42/42/56/1218424256.db2.gz OYWFUTGSWNBRNL-ZDUSSCGKSA-N 2 0 360.462 0.088 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N(C)Cc1ccc(F)cc1)C2 ZINC000903493685 1218426170 /nfs/dbraw/zinc/42/61/70/1218426170.db2.gz ZQDMFWAKIJBRMF-GMBSWORKSA-N 2 0 363.433 0.996 10 0 FCAERP Cn1cc(N2CCC[C@@H](N3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)C2=O)cn1 ZINC000903508323 1218431330 /nfs/dbraw/zinc/43/13/30/1218431330.db2.gz CCXCJMICELIITH-ZIFCJYIRSA-N 2 0 372.517 0.816 10 0 FCAERP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903720010 1218506280 /nfs/dbraw/zinc/50/62/80/1218506280.db2.gz BWSXZSLCWMOOFX-KRWDZBQOSA-N 2 0 360.502 0.815 10 0 FCAERP CN(C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000903719448 1218506730 /nfs/dbraw/zinc/50/67/30/1218506730.db2.gz LNSWPFWJKBGEIP-DLBZAZTESA-N 2 0 358.486 0.915 10 0 FCAERP O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000903778308 1218523497 /nfs/dbraw/zinc/52/34/97/1218523497.db2.gz LRFORYNVUARDDA-HXUWFJFHSA-N 2 0 371.485 0.769 10 0 FCAERP O=C([C@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1)N1CCOCC1 ZINC000903879359 1218559696 /nfs/dbraw/zinc/55/96/96/1218559696.db2.gz ZGTPSJGHGPFDJA-JKSUJKDBSA-N 2 0 362.478 0.273 10 0 FCAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cnn1C ZINC000903924481 1218566274 /nfs/dbraw/zinc/56/62/74/1218566274.db2.gz DQZLEYNLMKAHGH-GDBMZVCRSA-N 2 0 359.478 0.365 10 0 FCAERP 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ZINC001119704515 1221953835 /nfs/dbraw/zinc/95/38/35/1221953835.db2.gz HHGULAOGGXKVHV-CQSZACIVSA-N 2 0 358.442 0.409 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000911544700 1245511260 /nfs/dbraw/zinc/51/12/60/1245511260.db2.gz KJFYVDKGKFPVPK-KLAILNCOSA-N 2 0 366.506 0.456 10 0 FCAERP O=C1[C@H]2C[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000923385413 1245714641 /nfs/dbraw/zinc/71/46/41/1245714641.db2.gz CCHURUPBBUGJCJ-ZACQAIPSSA-N 2 0 355.438 0.482 10 0 FCAERP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503216 1245724508 /nfs/dbraw/zinc/72/45/08/1245724508.db2.gz HUXLGPRLPFFNFP-PMPSAXMXSA-N 2 0 362.474 0.869 10 0 FCAERP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503212 1245724690 /nfs/dbraw/zinc/72/46/90/1245724690.db2.gz HUXLGPRLPFFNFP-OAGGEKHMSA-N 2 0 362.474 0.869 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC[N@@H+]1C ZINC000941147134 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LWORWCWBIKUXPN-LSDHHAIUSA-N 2 0 364.490 0.494 10 0 FCAERP CC(C)NC(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001565917699 1269515630 /nfs/dbraw/zinc/51/56/30/1269515630.db2.gz ATJDSEFQLZEPBB-HRCADAONSA-N 2 0 353.511 0.520 10 0 FCAERP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnns2)C1 ZINC001565918263 1269517600 /nfs/dbraw/zinc/51/76/00/1269517600.db2.gz KDDKSCJUFHYYLO-QLFBSQMISA-N 2 0 367.519 0.881 10 0 FCAERP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnns2)C1 ZINC001565918264 1269517639 /nfs/dbraw/zinc/51/76/39/1269517639.db2.gz KDDKSCJUFHYYLO-SOUVJXGZSA-N 2 0 367.519 0.881 10 0 FCAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001565918147 1269517684 /nfs/dbraw/zinc/51/76/84/1269517684.db2.gz HHGZKUGUMDAFEI-HRCADAONSA-N 2 0 357.520 0.391 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)C(C)C ZINC001565950281 1269529509 /nfs/dbraw/zinc/52/95/09/1269529509.db2.gz NVKITFILOUPVRU-BRWVUGGUSA-N 2 0 368.522 0.401 10 0 FCAERP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC(C)(C)C)CC[C@@H]2C1 ZINC001566040962 1269571089 /nfs/dbraw/zinc/57/10/89/1269571089.db2.gz XIXXJTRKNFKKRJ-PMPSAXMXSA-N 2 0 350.507 0.776 10 0 FCAERP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001566972121 1269671135 /nfs/dbraw/zinc/67/11/35/1269671135.db2.gz XFADYZRPLBSZGB-NEMWNAMBSA-N 2 0 350.507 0.628 10 0 FCAERP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001567124411 1269678563 /nfs/dbraw/zinc/67/85/63/1269678563.db2.gz HAERBTCCQSWGHC-QLFBSQMISA-N 2 0 367.494 0.001 10 0 FCAERP CC(C)NC(=O)NCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001567366076 1269692050 /nfs/dbraw/zinc/69/20/50/1269692050.db2.gz ZEJQQBWVXQFVCR-BZUAXINKSA-N 2 0 353.511 0.615 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001568172715 1269719997 /nfs/dbraw/zinc/71/99/97/1269719997.db2.gz ZSLFFOMTROOPLF-RWMBFGLXSA-N 2 0 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CC(C)CNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732853535 1288594813 /nfs/dbraw/zinc/59/48/13/1288594813.db2.gz RHCHNMQYQCBTOJ-JBZXTQMFSA-N 2 0 367.494 0.070 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+][C@H]2CCN(C(C)C)C2=O)CC[N@@H+]1C ZINC001732850624 1288595596 /nfs/dbraw/zinc/59/55/96/1288595596.db2.gz ATDRKCSSTGEJMU-JOTZZJAKSA-N 2 0 350.507 0.988 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)Nc3ccon3)CCC2)CC[N@@H+]1C ZINC001733715726 1288626426 /nfs/dbraw/zinc/62/64/26/1288626426.db2.gz YRQLXAJHXPDNDH-UONOGXRCSA-N 2 0 363.462 0.972 10 0 FCAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCS(=O)(=O)N(C)C ZINC001734327837 1288648908 /nfs/dbraw/zinc/64/89/08/1288648908.db2.gz QLUXIGMQPKJGEX-RBSFLKMASA-N 2 0 362.540 0.045 10 0 FCAERP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1)CC(C)(C)C ZINC001735762204 1288875742 /nfs/dbraw/zinc/87/57/42/1288875742.db2.gz LSVSWDXTTJGVGS-BZUAXINKSA-N 2 0 368.522 0.137 10 0 FCAERP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1O ZINC001735781445 1288906206 /nfs/dbraw/zinc/90/62/06/1288906206.db2.gz HMNIGCWNDPDKLR-IAGOWNOFSA-N 2 0 368.522 0.281 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001736291361 1289247656 /nfs/dbraw/zinc/24/76/56/1289247656.db2.gz MHLPHGJAGREDCF-XHSDSOJGSA-N 2 0 350.507 0.776 10 0 FCAERP C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)CC[N@@H+]1C ZINC001736513568 1289406638 /nfs/dbraw/zinc/40/66/38/1289406638.db2.gz JBQJZQUZJCMWKY-KSWRQPAISA-N 2 0 350.507 0.917 10 0 FCAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001736609565 1289475784 /nfs/dbraw/zinc/47/57/84/1289475784.db2.gz QMCYPKKBCHPVFR-LPHOPBHVSA-N 2 0 350.507 0.777 10 0 FCAERP Cc1nn(C(C)C)cc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700790871 1289608030 /nfs/dbraw/zinc/60/80/30/1289608030.db2.gz FZFVLJBAFVXVET-HYVNUMGLSA-N 2 0 351.495 0.679 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001701079304 1289630317 /nfs/dbraw/zinc/63/03/17/1289630317.db2.gz VWMAEABBVRZCQH-BRWVUGGUSA-N 2 0 350.507 0.872 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1C ZINC001738362196 1289668896 /nfs/dbraw/zinc/66/88/96/1289668896.db2.gz MNZFFAMZKDKBGF-HZPDHXFCSA-N 2 0 352.523 0.975 10 0 FCAERP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001611701976 1289668920 /nfs/dbraw/zinc/66/89/20/1289668920.db2.gz JWVSRJFWMCGUKG-VDZJLULYSA-N 2 0 360.458 0.250 10 0 FCAERP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001702280452 1289955019 /nfs/dbraw/zinc/95/50/19/1289955019.db2.gz FBWUJMHNZLOXOA-DJIMGWMZSA-N 2 0 350.507 0.633 10 0 FCAERP O[C@H](C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1)CC1(O)CCOCC1 ZINC001620661453 1290013743 /nfs/dbraw/zinc/01/37/43/1290013743.db2.gz CZALFFLUGDOZAB-KRWDZBQOSA-N 2 0 356.507 0.592 10 0 FCAERP CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001702319434 1290035832 /nfs/dbraw/zinc/03/58/32/1290035832.db2.gz MEQGZYGZLKIWRD-BRWVUGGUSA-N 2 0 368.522 0.545 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001702333540 1290068612 /nfs/dbraw/zinc/06/86/12/1290068612.db2.gz QITBCYJUWLTFSO-MWDXBVQZSA-N 2 0 368.522 0.401 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001739513847 1290093199 /nfs/dbraw/zinc/09/31/99/1290093199.db2.gz ZQHILCGRHOZKNG-HYVNUMGLSA-N 2 0 350.507 0.632 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1O ZINC001702362751 1290133394 /nfs/dbraw/zinc/13/33/94/1290133394.db2.gz QFIBHCURIZGQMQ-BBWFWOEESA-N 2 0 368.522 0.279 10 0 FCAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1OC ZINC001739578147 1290186150 /nfs/dbraw/zinc/18/61/50/1290186150.db2.gz IADRHPZLJCNSIA-IXDOHACOSA-N 2 0 368.522 0.545 10 0 FCAERP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001739625759 1290258686 /nfs/dbraw/zinc/25/86/86/1290258686.db2.gz WVHMDWXISTUGMC-PMPSAXMXSA-N 2 0 368.522 0.277 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001739937217 1290445351 /nfs/dbraw/zinc/44/53/51/1290445351.db2.gz OKJQSCWXBRVYGT-BRWVUGGUSA-N 2 0 368.522 0.260 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC001740145494 1290499590 /nfs/dbraw/zinc/49/95/90/1290499590.db2.gz UAOBEAZKEYHISF-QFBILLFUSA-N 2 0 362.518 0.729 10 0 FCAERP COC(=O)[C@@H]1O[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C[C@H]1C ZINC001628235647 1290517980 /nfs/dbraw/zinc/51/79/80/1290517980.db2.gz RLPHOJPKGUNKQN-BZUAXINKSA-N 2 0 357.495 0.685 10 0 FCAERP C[NH+](C)CCSc1nc(CC(=O)N[C@H](CO)C[NH+]2CCCC2)cs1 ZINC001628964202 1290566090 /nfs/dbraw/zinc/56/60/90/1290566090.db2.gz FEYOJGQQOMCGPB-AWEZNQCLSA-N 2 0 372.560 0.912 10 0 FCAERP C[NH+]1CCC(O)(CNC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001629986823 1290639674 /nfs/dbraw/zinc/63/96/74/1290639674.db2.gz JECCJVFRABVQEO-HXUWFJFHSA-N 2 0 361.486 0.586 10 0 FCAERP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@@H]2C1 ZINC001649433452 1291148789 /nfs/dbraw/zinc/14/87/89/1291148789.db2.gz LJFGWJCWEPMTHT-HBFSDRIKSA-N 2 0 365.518 0.916 10 0 FCAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)CCC1 ZINC001656307124 1291508281 /nfs/dbraw/zinc/50/82/81/1291508281.db2.gz XJNJWZPIPYFKEP-LSDHHAIUSA-N 2 0 359.536 0.780 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001660988173 1291679446 /nfs/dbraw/zinc/67/94/46/1291679446.db2.gz IFZWUOQSXCUWAX-OWCLPIDISA-N 2 0 371.547 0.732 10 0 FCAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCNC(=O)NC(C)(C)C ZINC001662919100 1291739477 /nfs/dbraw/zinc/73/94/77/1291739477.db2.gz PCZQVMIHVKRMCQ-RBSFLKMASA-N 2 0 355.527 0.909 10 0 FCAERP C[C@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1nnnn1C ZINC001662980139 1291741539 /nfs/dbraw/zinc/74/15/39/1291741539.db2.gz SYPZKKIBKYFKPM-OIISXLGYSA-N 2 0 371.489 0.540 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2cc(=O)c(OC)co2)CC[N@@H+]1C ZINC001663942461 1291775529 /nfs/dbraw/zinc/77/55/29/1291775529.db2.gz VJVNIWMSWBOOKC-LSDHHAIUSA-N 2 0 351.447 0.927 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCS(=O)(=O)c2ccccc2)CC[N@@H+]1C ZINC001663942487 1291775642 /nfs/dbraw/zinc/77/56/42/1291775642.db2.gz WKACSNUCQGPRSV-NVXWUHKLSA-N 2 0 367.515 0.849 10 0 FCAERP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001667893569 1291948256 /nfs/dbraw/zinc/94/82/56/1291948256.db2.gz KFBIVPTVBMHKBF-OTWHNJEPSA-N 2 0 371.485 0.332 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]Cc2cncc(F)c2)CC[N@@H+]1C ZINC001672621230 1292086397 /nfs/dbraw/zinc/08/63/97/1292086397.db2.gz FAMGBEPJHOLPPC-DLBZAZTESA-N 2 0 352.454 0.862 10 0 FCAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001685106889 1292430485 /nfs/dbraw/zinc/43/04/85/1292430485.db2.gz RFIVAHMRFKQSMA-KSZLIROESA-N 2 0 364.534 0.977 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)CC[N@@H+]1C ZINC001686989297 1292970978 /nfs/dbraw/zinc/97/09/78/1292970978.db2.gz BJPFMUGGXSBWFY-YESZJQIVSA-N 2 0 350.507 0.777 10 0 FCAERP CCC(CC)C(=O)N1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001118146946 847296441 /nfs/dbraw/zinc/29/64/41/847296441.db2.gz GJVRAQWMWDVLGT-GOSISDBHSA-N 2 0 354.539 0.612 10 0 FCAERP CN(CC1CCCC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001119014259 847676509 /nfs/dbraw/zinc/67/65/09/847676509.db2.gz AULBXMRZFORRPS-IAGOWNOFSA-N 2 0 352.523 0.833 10 0 FCAERP CC[C@H]1[C@@H](C)CCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001119019242 847680506 /nfs/dbraw/zinc/68/05/06/847680506.db2.gz KVWFYDDHLSCIQO-HZMVEIRTSA-N 2 0 352.523 0.831 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1CCCC1(F)F ZINC001119576028 847894000 /nfs/dbraw/zinc/89/40/00/847894000.db2.gz XXGCUABQNRILMI-AWEZNQCLSA-N 2 0 362.465 0.880 10 0 FCAERP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC001119767465 847969117 /nfs/dbraw/zinc/96/91/17/847969117.db2.gz XBYIPLNMCVFVJW-INIZCTEOSA-N 2 0 354.495 0.204 10 0 FCAERP COC[C@@H](O)C[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001279360829 862848521 /nfs/dbraw/zinc/84/85/21/862848521.db2.gz ZPVIRRWGAHADCS-HYVNUMGLSA-N 2 0 353.507 0.695 10 0 FCAERP [NH3+]CCCCn1cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)nn1 ZINC001261527837 858580649 /nfs/dbraw/zinc/58/06/49/858580649.db2.gz FBQJLWQVBYBPTN-NUEKZKHPSA-N 2 0 350.467 0.518 10 0 FCAERP CC[C@@H]1CC[C@H](C)N1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001261864458 858691830 /nfs/dbraw/zinc/69/18/30/858691830.db2.gz DYRJHDHZVMKVLD-YLFCFFPRSA-N 2 0 352.523 0.974 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)C[C@H]1C[NH+](C)C ZINC001263782257 859212158 /nfs/dbraw/zinc/21/21/58/859212158.db2.gz BSFFWRCCWDHZKG-OBVSXPTNSA-N 3 0 351.539 0.707 10 0 FCAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001263894227 859229127 /nfs/dbraw/zinc/22/91/27/859229127.db2.gz XWTOQYBVGULSIQ-BBWFWOEESA-N 2 0 350.507 0.871 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001263966428 859257579 /nfs/dbraw/zinc/25/75/79/859257579.db2.gz IGJBQFJZQWTDDB-HUUCEWRRSA-N 2 0 354.495 0.189 10 0 FCAERP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@H](C)c1nnc(C)o1 ZINC001263971223 859260636 /nfs/dbraw/zinc/26/06/36/859260636.db2.gz YZGQWAJFIKWREC-BPLDGKMQSA-N 2 0 353.467 0.844 10 0 FCAERP C[C@@H](C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C)CS(C)(=O)=O ZINC001264000365 859275225 /nfs/dbraw/zinc/27/52/25/859275225.db2.gz NSWWQJNFFPYBDH-PMPSAXMXSA-N 2 0 361.552 0.836 10 0 FCAERP 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CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001344398327 870862656 /nfs/dbraw/zinc/86/26/56/870862656.db2.gz ATMGOQRZZMCZEW-HZPDHXFCSA-N 2 0 354.495 0.014 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)COCC[NH+](C)C ZINC001344816118 871041066 /nfs/dbraw/zinc/04/10/66/871041066.db2.gz BMXGJDMGXUZGLY-OWCLPIDISA-N 2 0 354.495 0.012 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)COCC[NH+](C)C ZINC001344816116 871041865 /nfs/dbraw/zinc/04/18/65/871041865.db2.gz BMXGJDMGXUZGLY-HRCADAONSA-N 2 0 354.495 0.012 10 0 FCAERP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001345546608 871404054 /nfs/dbraw/zinc/40/40/54/871404054.db2.gz FARZPSPXZYFOJE-MUQADHOPSA-N 2 0 352.479 0.138 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@]2(C)C1 ZINC001345925078 871563973 /nfs/dbraw/zinc/56/39/73/871563973.db2.gz OUMKZEGOUQKFBM-MAUKXSAKSA-N 2 0 350.507 0.729 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001345942646 871568987 /nfs/dbraw/zinc/56/89/87/871568987.db2.gz TVWKLUXHWZIAPA-FUHWJXTLSA-N 2 0 356.511 0.489 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001328798661 871631517 /nfs/dbraw/zinc/63/15/17/871631517.db2.gz MQQJHOWUUGGMRL-HZPDHXFCSA-N 2 0 354.495 0.202 10 0 FCAERP C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1C ZINC001346156028 871672185 /nfs/dbraw/zinc/67/21/85/871672185.db2.gz LWBJKQVHQAGHMF-DZGCQCFKSA-N 2 0 350.467 0.324 10 0 FCAERP CC[NH+](CC)CCNC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001329078733 871812265 /nfs/dbraw/zinc/81/22/65/871812265.db2.gz XJATUYZSKFTBCS-INIZCTEOSA-N 2 0 354.495 0.062 10 0 FCAERP CC[NH+](CC)C1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC001329242295 871907443 /nfs/dbraw/zinc/90/74/43/871907443.db2.gz WYMBPIRGYNLLLR-KDURUIRLSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@H](CNC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1)N1CC[NH+](C)CC1 ZINC001347088700 872152067 /nfs/dbraw/zinc/15/20/67/872152067.db2.gz GMTHYJHKPVILNL-XMTFNYHQSA-N 2 0 351.539 0.994 10 0 FCAERP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC001329752601 872228594 /nfs/dbraw/zinc/22/85/94/872228594.db2.gz AMUYJXBERBAKEH-NUEKZKHPSA-N 2 0 360.524 0.276 10 0 FCAERP CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001347704976 872466786 /nfs/dbraw/zinc/46/67/86/872466786.db2.gz MWDSERKPBHJNHI-HZMVEIRTSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001348191335 872622042 /nfs/dbraw/zinc/62/20/42/872622042.db2.gz DPNBYZWFJDZBJV-NVXWUHKLSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001348265179 872650087 /nfs/dbraw/zinc/65/00/87/872650087.db2.gz UKEZKUODFGYWCQ-CVEARBPZSA-N 2 0 353.511 0.127 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CCC1(C)C ZINC001330567884 872708809 /nfs/dbraw/zinc/70/88/09/872708809.db2.gz NSKAAHRGSANEET-UHFFFAOYSA-N 2 0 350.507 0.921 10 0 FCAERP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCN1C ZINC001332056027 873351208 /nfs/dbraw/zinc/35/12/08/873351208.db2.gz ASTNTWPUVSJXNT-BRWVUGGUSA-N 2 0 350.507 0.728 10 0 FCAERP [NH3+][C@H](C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C1CCCCC1 ZINC001332287761 873437091 /nfs/dbraw/zinc/43/70/91/873437091.db2.gz KIMSWLOUCITTGM-PMPSAXMXSA-N 2 0 350.463 0.678 10 0 FCAERP [NH3+][C@@H](C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C1CCCCC1 ZINC001332287760 873437155 /nfs/dbraw/zinc/43/71/55/873437155.db2.gz KIMSWLOUCITTGM-OWCLPIDISA-N 2 0 350.463 0.678 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC2CCC=CCC2)C[C@H]1C[NH+](C)C ZINC001332364131 873477576 /nfs/dbraw/zinc/47/75/76/873477576.db2.gz KWWBJQXAIRTDOE-HZPDHXFCSA-N 2 0 350.507 0.799 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC23CC[NH+](C)CC3)CC1 ZINC001332684631 873615123 /nfs/dbraw/zinc/61/51/23/873615123.db2.gz PGILHWQPCHPBNZ-UHFFFAOYSA-N 2 0 350.507 0.921 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C[NH+](C)C ZINC000930958014 674081414 /nfs/dbraw/zinc/08/14/14/674081414.db2.gz QVEKVUPFVRMULQ-PMPSAXMXSA-N 2 0 354.495 0.202 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)NC2CC[NH+](C)CC2)ccc1F ZINC000284667172 213193351 /nfs/dbraw/zinc/19/33/51/213193351.db2.gz CWAPDDBRJILFOV-UHFFFAOYSA-N 2 0 350.438 0.714 10 0 FCAERP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262403399 209583418 /nfs/dbraw/zinc/58/34/18/209583418.db2.gz AJZGJSGXNJXLMF-MAZHCROVSA-N 2 0 366.487 0.783 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000246107790 209378837 /nfs/dbraw/zinc/37/88/37/209378837.db2.gz HOSICTBRWNKNRA-SJORKVTESA-N 2 0 355.527 0.375 10 0 FCAERP O=C(N1CC[NH+]2CCC1CC2)C1(C(=O)N2CC[NH+]3CCC2CC3)CCC1 ZINC000188831238 209239492 /nfs/dbraw/zinc/23/94/92/209239492.db2.gz MCHSUCVFCGOIAQ-UHFFFAOYSA-N 2 0 360.502 0.770 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)c2)CC1 ZINC000187147649 209206068 /nfs/dbraw/zinc/20/60/68/209206068.db2.gz BEUVLYIWRRUPCN-SFHVURJKSA-N 2 0 373.501 0.930 10 0 FCAERP C[C@@]1(C(N)=O)CCCC[NH+]1CCOCC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185973475 209182758 /nfs/dbraw/zinc/18/27/58/209182758.db2.gz XYSGHLKEBBOKPG-ROUUACIJSA-N 2 0 354.495 0.463 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000931396976 674111817 /nfs/dbraw/zinc/11/18/17/674111817.db2.gz LLNXQZGAGREWRN-DOTOQJQBSA-N 2 0 374.551 0.333 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)COC1CC[NH+](C)CC1 ZINC000931516456 674118344 /nfs/dbraw/zinc/11/83/44/674118344.db2.gz UCJHPTIMVQUJKT-MRXNPFEDSA-N 2 0 354.495 0.156 10 0 FCAERP C[C@H](CNC(=O)CN1C[C@@H](O)CC(C)(C)C1)[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000931551961 674119483 /nfs/dbraw/zinc/11/94/83/674119483.db2.gz PXPFZCLODCABSA-PMPSAXMXSA-N 2 0 355.523 0.677 10 0 FCAERP C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1=O ZINC000374206662 217108198 /nfs/dbraw/zinc/10/81/98/217108198.db2.gz FGYRZKQNCINTFT-ZACQAIPSSA-N 2 0 367.538 0.911 10 0 FCAERP C[NH+](C)CCOc1cc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)ccn1 ZINC000417952976 245740235 /nfs/dbraw/zinc/74/02/35/245740235.db2.gz OYZZBJMGNYVWLH-ZDUSSCGKSA-N 2 0 357.405 0.818 10 0 FCAERP CC(C)C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)C(=O)NCC[NH+](C)C ZINC000418770038 245824271 /nfs/dbraw/zinc/82/42/71/245824271.db2.gz SHQGIAODWAWKGG-STQMWFEESA-N 2 0 363.453 0.375 10 0 FCAERP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000418879860 245885405 /nfs/dbraw/zinc/88/54/05/245885405.db2.gz UNDACODDHQDOED-MAUKXSAKSA-N 2 0 360.502 0.861 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418871947 245881784 /nfs/dbraw/zinc/88/17/84/245881784.db2.gz FVPGEGHFFCGEEA-FGTMMUONSA-N 2 0 358.486 0.628 10 0 FCAERP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000419158177 246024254 /nfs/dbraw/zinc/02/42/54/246024254.db2.gz WEEVTOLBEHSEOQ-DOTOQJQBSA-N 2 0 352.523 0.975 10 0 FCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419196058 246046830 /nfs/dbraw/zinc/04/68/30/246046830.db2.gz ANCWEVSQISONCU-WMLDXEAASA-N 2 0 362.474 0.357 10 0 FCAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419341090 246105221 /nfs/dbraw/zinc/10/52/21/246105221.db2.gz XRHLYZALNVKORS-YOEHRIQHSA-N 2 0 359.474 0.276 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419364284 246117383 /nfs/dbraw/zinc/11/73/83/246117383.db2.gz DXDFMVOXCGUDMP-PBHICJAKSA-N 2 0 358.486 0.316 10 0 FCAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000419424832 246156023 /nfs/dbraw/zinc/15/60/23/246156023.db2.gz OTRXKAWPGBAMQX-VQHPVUNQSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000419591929 246212468 /nfs/dbraw/zinc/21/24/68/246212468.db2.gz WALDHEJNDJJJBQ-FZKQIMNGSA-N 2 0 364.515 0.876 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000419540083 246196991 /nfs/dbraw/zinc/19/69/91/246196991.db2.gz ZHIYLYBOCZMECU-YJBOKZPZSA-N 2 0 358.486 0.834 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419538687 246197164 /nfs/dbraw/zinc/19/71/64/246197164.db2.gz XJPSKBJHMKSCIY-BPQIPLTHSA-N 2 0 358.486 0.881 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419539424 246197716 /nfs/dbraw/zinc/19/77/16/246197716.db2.gz PPTZEHIFXROMMC-SJORKVTESA-N 2 0 366.506 0.204 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419539423 246197971 /nfs/dbraw/zinc/19/79/71/246197971.db2.gz PPTZEHIFXROMMC-IRXDYDNUSA-N 2 0 366.506 0.204 10 0 FCAERP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000419548249 246199198 /nfs/dbraw/zinc/19/91/98/246199198.db2.gz SQDXLSWFRRVEBP-MRXNPFEDSA-N 2 0 354.495 0.062 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419911865 246366751 /nfs/dbraw/zinc/36/67/51/246366751.db2.gz KGIKRDDYRWYIEO-IAGOWNOFSA-N 2 0 362.474 0.372 10 0 FCAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000419936679 246377245 /nfs/dbraw/zinc/37/72/45/246377245.db2.gz UQKOOTKSKQKUIP-AEFFLSMTSA-N 2 0 358.486 0.993 10 0 FCAERP CN(C(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419906888 246362335 /nfs/dbraw/zinc/36/23/35/246362335.db2.gz AWCFKHBNJUDFKB-AEFFLSMTSA-N 2 0 358.486 0.835 10 0 FCAERP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000419940258 246380869 /nfs/dbraw/zinc/38/08/69/246380869.db2.gz ZKKVLUUZURKDOG-ZWKOTPCHSA-N 2 0 358.486 0.993 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423381403 247016054 /nfs/dbraw/zinc/01/60/54/247016054.db2.gz ZQCYMIVMAZJZID-JTDSTZFVSA-N 2 0 350.507 0.907 10 0 FCAERP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423409271 247021660 /nfs/dbraw/zinc/02/16/60/247021660.db2.gz BOGPLXNHXNWPFI-CALCHBBNSA-N 2 0 350.507 0.920 10 0 FCAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000423438074 247027270 /nfs/dbraw/zinc/02/72/70/247027270.db2.gz GRKQRRZOICFHJP-FXAWDEMLSA-N 2 0 362.518 0.779 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000423452140 247029609 /nfs/dbraw/zinc/02/96/09/247029609.db2.gz VZRWLSGXUGBIHP-GVDBMIGSSA-N 2 0 366.506 0.156 10 0 FCAERP CCn1nccc1S(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000472573320 250161951 /nfs/dbraw/zinc/16/19/51/250161951.db2.gz FYPSZKVJYPASEJ-HNNXBMFYSA-N 2 0 357.524 0.940 10 0 FCAERP C[C@@H]1C[N@@H+](CC2CCN(CC(=O)NC(=O)NC3CC3)CC2)C[C@H](C)O1 ZINC000110427972 208266911 /nfs/dbraw/zinc/26/69/11/208266911.db2.gz HRXRLPBCKDCWMV-OKILXGFUSA-N 2 0 352.479 0.796 10 0 FCAERP CNC(=O)NC(=O)[C@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000112549943 208296855 /nfs/dbraw/zinc/29/68/55/208296855.db2.gz RROAAENLHBSUSR-YOEHRIQHSA-N 2 0 362.474 0.866 10 0 FCAERP CCNC(=O)NC(=O)[C@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119481227 208361984 /nfs/dbraw/zinc/36/19/84/208361984.db2.gz QUAVDSFGTTZVBO-LSVZVQIISA-N 2 0 351.495 0.463 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000118842092 208351984 /nfs/dbraw/zinc/35/19/84/208351984.db2.gz VWTKBXLVWGEILF-QZTJIDSGSA-N 2 0 354.539 0.733 10 0 FCAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000178323498 209048924 /nfs/dbraw/zinc/04/89/24/209048924.db2.gz HCTINUISPKAFBW-KRWDZBQOSA-N 2 0 359.474 0.737 10 0 FCAERP COC1(C(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)CC[NH2+]CC1 ZINC000178885421 209063309 /nfs/dbraw/zinc/06/33/09/209063309.db2.gz RFGJVAKRPJKMNP-QGZVFWFLSA-N 2 0 368.522 0.008 10 0 FCAERP Cn1ncc2c1nc(NCCC[NH+]1CCN(c3cc[nH+]cc3)CC1)nc2N ZINC000278331590 488868599 /nfs/dbraw/zinc/86/85/99/488868599.db2.gz IMDBQINNGLRLPV-UHFFFAOYSA-N 2 0 367.461 0.965 10 0 FCAERP O=C(C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000052931375 488187091 /nfs/dbraw/zinc/18/70/91/488187091.db2.gz WYKVSGVFXNDJQG-INIZCTEOSA-N 2 0 362.518 0.968 10 0 FCAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000245721404 488465766 /nfs/dbraw/zinc/46/57/66/488465766.db2.gz AUCJTRGANDWWRQ-YYIAUSFCSA-N 2 0 350.507 0.728 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247225203 488482532 /nfs/dbraw/zinc/48/25/32/488482532.db2.gz CHRPOHXJJRKTGB-IXDOHACOSA-N 2 0 356.511 0.896 10 0 FCAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000569927532 491204100 /nfs/dbraw/zinc/20/41/00/491204100.db2.gz BBOMRYRWYNFFLU-SFHVURJKSA-N 2 0 374.485 0.300 10 0 FCAERP C[NH+]1CCN(CCOc2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)CC1 ZINC000261939503 488543163 /nfs/dbraw/zinc/54/31/63/488543163.db2.gz XHXPVIFUPATYOV-UHFFFAOYSA-N 2 0 362.474 0.759 10 0 FCAERP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000262052930 488548103 /nfs/dbraw/zinc/54/81/03/488548103.db2.gz RBQUOVJBGJBNJX-KRWDZBQOSA-N 2 0 362.474 0.348 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000119724161 488558725 /nfs/dbraw/zinc/55/87/25/488558725.db2.gz SNBVAZHUJQVLLT-HUUCEWRRSA-N 2 0 364.494 0.572 10 0 FCAERP CS(=O)(=O)C1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC000262469136 488572114 /nfs/dbraw/zinc/57/21/14/488572114.db2.gz YCHWZQYZPSDSIZ-UHFFFAOYSA-N 2 0 357.520 0.488 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000123183420 488583209 /nfs/dbraw/zinc/58/32/09/488583209.db2.gz SHEOMPXMYJICCX-OKZBNKHCSA-N 3 0 354.539 0.874 10 0 FCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262643097 488584059 /nfs/dbraw/zinc/58/40/59/488584059.db2.gz LZHATYWNGBWYKD-BBWFWOEESA-N 2 0 350.507 0.920 10 0 FCAERP C[C@H]1CCN(CC(=O)N(C)CC(=O)N2CCOCC2)C[C@@H]1n1ccnc1 ZINC000129786745 488633592 /nfs/dbraw/zinc/63/35/92/488633592.db2.gz MHJSZFLCAIUMHM-HOTGVXAUSA-N 2 0 363.462 0.083 10 0 FCAERP NC(=O)[C@H]1CCCN1C1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000131199315 488643402 /nfs/dbraw/zinc/64/34/02/488643402.db2.gz HGGODTUMZKDPCO-RBUKOAKNSA-N 2 0 361.486 0.978 10 0 FCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000136979471 488679822 /nfs/dbraw/zinc/67/98/22/488679822.db2.gz ZZKAMWYKQGNMKW-SJORKVTESA-N 2 0 367.538 0.911 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)n1 ZINC000153232658 488728633 /nfs/dbraw/zinc/72/86/33/488728633.db2.gz AMWWECHBQMEYDR-UHFFFAOYSA-N 2 0 364.494 0.764 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000266794644 488731138 /nfs/dbraw/zinc/73/11/38/488731138.db2.gz FRQDQZDDDGHPCD-UHFFFAOYSA-N 2 0 373.545 0.905 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000154926225 488748491 /nfs/dbraw/zinc/74/84/91/488748491.db2.gz XJNFMJGEEIODOL-QGZVFWFLSA-N 2 0 356.511 0.585 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)CC1 ZINC000563137612 491220078 /nfs/dbraw/zinc/22/00/78/491220078.db2.gz IAARXTSAMDTZLP-CVEARBPZSA-N 2 0 357.445 0.314 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000172804763 488838372 /nfs/dbraw/zinc/83/83/72/488838372.db2.gz UBDFCDONXZPLLQ-MSOLQXFVSA-N 2 0 352.523 0.630 10 0 FCAERP C(CC[N@@H+]1CC[C@@H](N2CCOCC2)C1)C[NH+]1CC[C@H](N2CCOCC2)C1 ZINC000173989355 488846900 /nfs/dbraw/zinc/84/69/00/488846900.db2.gz RFMBJBFJSZZTKC-BGYRXZFFSA-N 2 0 366.550 0.580 10 0 FCAERP C(=C/C[N@@H+]1CC[C@@H](N2CCOCC2)C1)\C[NH+]1CC[C@H](N2CCOCC2)C1 ZINC000173992930 488846965 /nfs/dbraw/zinc/84/69/65/488846965.db2.gz MMGZUALTBPIRLN-FWDLARJDSA-N 2 0 364.534 0.356 10 0 FCAERP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000175803627 488855688 /nfs/dbraw/zinc/85/56/88/488855688.db2.gz OPAJPBQWXBKMQV-SJORKVTESA-N 2 0 355.527 0.232 10 0 FCAERP O=C(CSCC(=O)N1CC[NH+]2CCC1CC2)N1CC[NH+]2CCC1CC2 ZINC000364939785 489021384 /nfs/dbraw/zinc/02/13/84/489021384.db2.gz ZGAIXJRMCDNUGN-UHFFFAOYSA-N 2 0 366.531 0.333 10 0 FCAERP COC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCCO1 ZINC000365111035 489039779 /nfs/dbraw/zinc/03/97/79/489039779.db2.gz OCMKMNFZCAHFFK-YESZJQIVSA-N 2 0 357.495 0.243 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@H](c2nc(=O)[nH][nH]2)C1)c1ccccc1 ZINC000289503026 489072046 /nfs/dbraw/zinc/07/20/46/489072046.db2.gz UJCYQHGVGPLDMT-HOTGVXAUSA-N 2 0 372.473 0.697 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[C@@H](C)C1 ZINC000570377708 491237336 /nfs/dbraw/zinc/23/73/36/491237336.db2.gz UIWHJZBMOPMMMT-BBWFWOEESA-N 2 0 350.507 0.872 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000563459584 491249178 /nfs/dbraw/zinc/24/91/78/491249178.db2.gz XRZUCFMSSXHDNL-GDBMZVCRSA-N 2 0 365.522 0.901 10 0 FCAERP O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000423087787 489491891 /nfs/dbraw/zinc/49/18/91/489491891.db2.gz QJRHKYAAHIATBF-FQEVSTJZSA-N 2 0 362.518 0.923 10 0 FCAERP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000423181515 489500413 /nfs/dbraw/zinc/50/04/13/489500413.db2.gz LCAJMGWROOERJY-ROUUACIJSA-N 2 0 361.486 0.897 10 0 FCAERP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000423275094 489510817 /nfs/dbraw/zinc/51/08/17/489510817.db2.gz MUBZJSPLTVMSRY-MRXNPFEDSA-N 2 0 367.538 0.058 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](O)CC(C)(C)C2)C1 ZINC000451806062 489524814 /nfs/dbraw/zinc/52/48/14/489524814.db2.gz WHCCVHRHGRMHBI-DLBZAZTESA-N 2 0 355.523 0.942 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000372155579 489552752 /nfs/dbraw/zinc/55/27/52/489552752.db2.gz GGRGXPWTXQYVQO-RCCFBDPRSA-N 2 0 353.507 0.818 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000415800667 489554301 /nfs/dbraw/zinc/55/43/01/489554301.db2.gz YKGUFPSQEMQKER-RHSMWYFYSA-N 2 0 360.458 0.776 10 0 FCAERP C[NH+](C)C1CCN(CCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000372905098 489650654 /nfs/dbraw/zinc/65/06/54/489650654.db2.gz VPHWMLKNGAMNOT-JTDSTZFVSA-N 2 0 352.523 0.661 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)[C@@H](C)C1 ZINC000417672174 489660660 /nfs/dbraw/zinc/66/06/60/489660660.db2.gz RVPGZDZISOCHAZ-JKSUJKDBSA-N 2 0 354.495 0.507 10 0 FCAERP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418666095 489716309 /nfs/dbraw/zinc/71/63/09/489716309.db2.gz CONJYOJFWSTRHF-ADKAHSJRSA-N 2 0 367.538 0.349 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)[NH+](C)C)c1 ZINC000418842058 489752154 /nfs/dbraw/zinc/75/21/54/489752154.db2.gz HEWNQGDNWQBPTK-COXVUDFISA-N 2 0 362.474 0.528 10 0 FCAERP CCNC(=O)N1CC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000474455248 489763809 /nfs/dbraw/zinc/76/38/09/489763809.db2.gz CEHZRSROEGAUHM-INIZCTEOSA-N 2 0 370.542 0.705 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)[NH+](C)C)c1 ZINC000418868013 489765903 /nfs/dbraw/zinc/76/59/03/489765903.db2.gz VNZSPLFDMJZCPB-RDJZCZTQSA-N 2 0 362.474 0.672 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418873337 489768960 /nfs/dbraw/zinc/76/89/60/489768960.db2.gz HXFIAOYGGLVUQR-XLIONFOSSA-N 2 0 360.502 0.781 10 0 FCAERP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418918625 489791203 /nfs/dbraw/zinc/79/12/03/489791203.db2.gz ZQPHDSZICXCWJW-VCTAVGKDSA-N 2 0 354.401 0.680 10 0 FCAERP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000418918624 489791438 /nfs/dbraw/zinc/79/14/38/489791438.db2.gz ZQPHDSZICXCWJW-ONERCXAPSA-N 2 0 354.401 0.680 10 0 FCAERP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)C2)C1 ZINC000459939735 489800318 /nfs/dbraw/zinc/80/03/18/489800318.db2.gz 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Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)o1 ZINC000420001185 489877075 /nfs/dbraw/zinc/87/70/75/489877075.db2.gz POBIFFJNKNLREU-HNNXBMFYSA-N 2 0 350.463 0.737 10 0 FCAERP [NH3+]C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCCC1 ZINC000420047435 489892706 /nfs/dbraw/zinc/89/27/06/489892706.db2.gz CQAMRRBEKVXJJJ-KRWDZBQOSA-N 2 0 350.507 0.955 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420098071 489910969 /nfs/dbraw/zinc/91/09/69/489910969.db2.gz AMCHZIJLLANARJ-YSHGAJCASA-N 2 0 370.497 0.691 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)o1 ZINC000420121397 489920259 /nfs/dbraw/zinc/92/02/59/489920259.db2.gz PHOJMDGCJIDONU-XJKSGUPXSA-N 2 0 350.463 0.592 10 0 FCAERP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2)CC1 ZINC000420127818 489921716 /nfs/dbraw/zinc/92/17/16/489921716.db2.gz PIFKQSODKJRPEF-MYBQVCMBSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420131589 489923997 /nfs/dbraw/zinc/92/39/97/489923997.db2.gz ZCLCVTKSNBXTPU-WMZOPIPTSA-N 2 0 358.486 0.835 10 0 FCAERP CC[NH+](CC)CCS(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000571211942 491293480 /nfs/dbraw/zinc/29/34/80/491293480.db2.gz PBMGYGFCFGRZMY-UHFFFAOYSA-N 2 0 362.540 0.048 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000556068557 491291528 /nfs/dbraw/zinc/29/15/28/491291528.db2.gz FNISWYBFESOMCI-MRXNPFEDSA-N 2 0 354.495 0.062 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000477734580 489988536 /nfs/dbraw/zinc/98/85/36/489988536.db2.gz UAJAXFNZAGVPBG-IAGOWNOFSA-N 2 0 365.522 0.807 10 0 FCAERP C[NH+](C)C[C@H]1CCCN1C(=O)COCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000464934833 490073945 /nfs/dbraw/zinc/07/39/45/490073945.db2.gz RCFYWWFFAQQWCE-HZPDHXFCSA-N 2 0 354.495 0.108 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000564321950 491300809 /nfs/dbraw/zinc/30/08/09/491300809.db2.gz XUOPYYORUBQPJN-WBVHZDCISA-N 2 0 364.465 0.519 10 0 FCAERP C[C@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000382793916 490128582 /nfs/dbraw/zinc/12/85/82/490128582.db2.gz SIRHMJJCVDVDQA-FUHWJXTLSA-N 2 0 367.515 0.901 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000465843466 490145942 /nfs/dbraw/zinc/14/59/42/490145942.db2.gz VTSAJIWGNWGTAH-IAGOWNOFSA-N 2 0 363.506 0.585 10 0 FCAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000422129889 490180706 /nfs/dbraw/zinc/18/07/06/490180706.db2.gz KJKUGKNWPZXYPI-QZTJIDSGSA-N 2 0 360.502 0.828 10 0 FCAERP C[C@@H](NC(=O)C(=O)NC1CCN(c2ccccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000556253407 491306093 /nfs/dbraw/zinc/30/60/93/491306093.db2.gz PDWGWQHWLNPFCT-OAHLLOKOSA-N 2 0 371.485 0.933 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C(C)(C)c2cnn(C)c2)C1 ZINC000546704859 490234763 /nfs/dbraw/zinc/23/47/63/490234763.db2.gz GSRHIUPIFYUPGO-MRXNPFEDSA-N 2 0 351.495 0.718 10 0 FCAERP 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ZINC000509715828 490456417 /nfs/dbraw/zinc/45/64/17/490456417.db2.gz PIARARKECKTVER-SJORKVTESA-N 2 0 368.522 0.545 10 0 FCAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422912622 490496078 /nfs/dbraw/zinc/49/60/78/490496078.db2.gz NPGFNLYXYGAVSU-RTBURBONSA-N 2 0 360.502 0.835 10 0 FCAERP CC(C)[NH+]1CCN(CCC[NH+]2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC000510168019 490496270 /nfs/dbraw/zinc/49/62/70/490496270.db2.gz HGEFAOKMQVHYDD-UHFFFAOYSA-N 2 0 360.568 0.664 10 0 FCAERP COc1ccc([C@H](OC)[C@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000564851287 491331542 /nfs/dbraw/zinc/33/15/42/491331542.db2.gz JHZGRZNXAXDQAZ-VDZJLULYSA-N 2 0 351.491 0.969 10 0 FCAERP C[N@H+](CCCNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)Cc1ccccc1 ZINC000422957744 490505851 /nfs/dbraw/zinc/50/58/51/490505851.db2.gz VKTCCYPIVMPKHA-UHFFFAOYSA-N 2 0 358.486 0.979 10 0 FCAERP COc1cccc([C@H](CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)[NH+](C)C)c1 ZINC000422955780 490505882 /nfs/dbraw/zinc/50/58/82/490505882.db2.gz 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364.494 0.822 10 0 FCAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000525815015 490636854 /nfs/dbraw/zinc/63/68/54/490636854.db2.gz UYZPTNMSJFWICF-JKSUJKDBSA-N 2 0 353.511 0.747 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000557118788 491354175 /nfs/dbraw/zinc/35/41/75/491354175.db2.gz VUVPHYJLBHALTM-DLBZAZTESA-N 2 0 368.522 0.450 10 0 FCAERP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000557122789 491354709 /nfs/dbraw/zinc/35/47/09/491354709.db2.gz WFRDJGGQSMYAHG-NVXWUHKLSA-N 2 0 350.507 0.918 10 0 FCAERP C[N@H+](CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CCCC1 ZINC000529309801 490849290 /nfs/dbraw/zinc/84/92/90/490849290.db2.gz YBGDERXYZAJEPD-UHFFFAOYSA-N 2 0 366.510 0.213 10 0 FCAERP CCn1ccnc1[C@@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529329886 490853292 /nfs/dbraw/zinc/85/32/92/490853292.db2.gz JCLIHDUERKBFJQ-CQSZACIVSA-N 2 0 363.466 0.316 10 0 FCAERP 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C[NH+](C)CCN1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1=O ZINC000650057819 492610116 /nfs/dbraw/zinc/61/01/16/492610116.db2.gz CHNKDBVBTQOIDP-UHFFFAOYSA-N 2 0 357.418 0.505 10 0 FCAERP Nc1nc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)nc(N)[nH+]1 ZINC000624246306 492630148 /nfs/dbraw/zinc/63/01/48/492630148.db2.gz CSJPDGHCASHYGL-HNNXBMFYSA-N 2 0 369.473 0.459 10 0 FCAERP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000629454898 492633108 /nfs/dbraw/zinc/63/31/08/492633108.db2.gz RHMPFQSEQHTPLP-MWDXBVQZSA-N 2 0 350.507 0.824 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2C2(O)CC2)C1 ZINC000656692047 492642299 /nfs/dbraw/zinc/64/22/99/492642299.db2.gz YNZHVOLTTKXSBX-SJORKVTESA-N 2 0 353.507 0.839 10 0 FCAERP COc1cncc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000629552573 492644734 /nfs/dbraw/zinc/64/47/34/492644734.db2.gz MOYDPGPLTSDTMR-AWEZNQCLSA-N 2 0 357.462 0.998 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 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/nfs/dbraw/zinc/68/14/82/492681482.db2.gz NGPHBCPUBKYINW-HOTGVXAUSA-N 2 0 366.506 0.299 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000629808687 492682976 /nfs/dbraw/zinc/68/29/76/492682976.db2.gz IVZIHEVHWATRHK-CVEARBPZSA-N 2 0 366.506 0.286 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000629818065 492688010 /nfs/dbraw/zinc/68/80/10/492688010.db2.gz HTCGUSULZDXQCO-KXBFYZLASA-N 2 0 364.490 0.040 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000644297559 492696532 /nfs/dbraw/zinc/69/65/32/492696532.db2.gz BSMNMOQDLYWCSI-CABCVRRESA-N 2 0 355.508 0.386 10 0 FCAERP CN(C(=O)NCC[C@@]1(O)CCOC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000651284490 492735339 /nfs/dbraw/zinc/73/53/39/492735339.db2.gz HEHWNORFCBPQQA-SJLPKXTDSA-N 2 0 354.495 0.338 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000644529242 492782350 /nfs/dbraw/zinc/78/23/50/492782350.db2.gz 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492897158 /nfs/dbraw/zinc/89/71/58/492897158.db2.gz DSOULWJPSGHMHP-KRWDZBQOSA-N 2 0 368.503 0.201 10 0 FCAERP C[N@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631950870 492897221 /nfs/dbraw/zinc/89/72/21/492897221.db2.gz SMZMPKOSTRJIKJ-ZWKOTPCHSA-N 2 0 367.515 0.553 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CCOc3ccc(C[NH3+])cc32)CC1 ZINC000631958144 492898081 /nfs/dbraw/zinc/89/80/81/492898081.db2.gz KPCAMSKKQVAISO-UHFFFAOYSA-N 2 0 368.503 0.311 10 0 FCAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000652348979 492912992 /nfs/dbraw/zinc/91/29/92/492912992.db2.gz XVMGLLUQTJKSQH-GPMSIDNRSA-N 3 0 364.534 0.948 10 0 FCAERP C[C@@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)[C@H]1CC[NH3+] ZINC000652354532 492915004 /nfs/dbraw/zinc/91/50/04/492915004.db2.gz BIVXLUWICFFOQM-KGLIPLIRSA-N 2 0 362.478 0.273 10 0 FCAERP C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632184054 492946703 /nfs/dbraw/zinc/94/67/03/492946703.db2.gz MIVAMMBXDAYMFC-NVXWUHKLSA-N 2 0 355.504 0.757 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000652636478 492975069 /nfs/dbraw/zinc/97/50/69/492975069.db2.gz LPAOHKPAVAEJDI-NVXWUHKLSA-N 2 0 362.474 0.551 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652682838 492988917 /nfs/dbraw/zinc/98/89/17/492988917.db2.gz WSKKQVGWDLURAM-MWDXBVQZSA-N 2 0 368.522 0.293 10 0 FCAERP CC1CCC([NH+]2CCN(C(=O)C(=O)NCCC3(C[NH3+])CC3)CC2)CC1 ZINC000652709508 492996613 /nfs/dbraw/zinc/99/66/13/492996613.db2.gz TWKDFZALLBSGRI-UHFFFAOYSA-N 2 0 350.507 0.955 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000652730067 493007728 /nfs/dbraw/zinc/00/77/28/493007728.db2.gz HJTXGOXYQKCRSL-UHFFFAOYSA-N 2 0 366.506 0.300 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH3+] ZINC000652730072 493008293 /nfs/dbraw/zinc/00/82/93/493008293.db2.gz HLJZCJXFIAVMAQ-OWCLPIDISA-N 2 0 354.495 0.141 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000646414137 493046588 /nfs/dbraw/zinc/04/65/88/493046588.db2.gz PMMUTRFWARORCK-CYBMUJFWSA-N 2 0 351.455 0.028 10 0 FCAERP C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C[NH2+]1 ZINC000626888826 493051782 /nfs/dbraw/zinc/05/17/82/493051782.db2.gz PTOPUUPCIWOUHU-YJBOKZPZSA-N 2 0 373.501 0.629 10 0 FCAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653037431 493062981 /nfs/dbraw/zinc/06/29/81/493062981.db2.gz BQCCRZABLKIKSQ-KRWDZBQOSA-N 2 0 354.495 0.012 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)NCC3([NH3+])CCOCC3)cn2)CC1 ZINC000626929300 493065764 /nfs/dbraw/zinc/06/57/64/493065764.db2.gz TZGISUGPTASZSO-UHFFFAOYSA-N 2 0 362.478 0.141 10 0 FCAERP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000653105477 493070519 /nfs/dbraw/zinc/07/05/19/493070519.db2.gz XJDJHGOTVKHUPW-JXFKEZNVSA-N 2 0 374.485 0.933 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C[NH2+]1 ZINC000626965722 493071428 /nfs/dbraw/zinc/07/14/28/493071428.db2.gz LHIOVFPOYURYGF-WMLDXEAASA-N 2 0 361.490 0.918 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)[C@@H]1CC[N@H+](CC)C1 ZINC000658827921 493075425 /nfs/dbraw/zinc/07/54/25/493075425.db2.gz YISWSJDKGOITBC-VQIMIIECSA-N 2 0 350.507 0.873 10 0 FCAERP [NH3+]CC1(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000627011502 493080362 /nfs/dbraw/zinc/08/03/62/493080362.db2.gz BWULBQXKTQCJQL-QGZVFWFLSA-N 2 0 362.474 0.560 10 0 FCAERP COCC1(CNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC[NH2+]CC1 ZINC000627091637 493087208 /nfs/dbraw/zinc/08/72/08/493087208.db2.gz VROKOLBOSJJPQR-KRWDZBQOSA-N 2 0 368.522 0.803 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627111720 493089244 /nfs/dbraw/zinc/08/92/44/493089244.db2.gz SOYHXZWMIKLXDJ-UHFFFAOYSA-N 2 0 374.489 0.258 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]2COCC[NH2+]2)cc1F ZINC000627115820 493089892 /nfs/dbraw/zinc/08/98/92/493089892.db2.gz XOMXCOZZULIWMC-DZKIICNBSA-N 2 0 366.437 0.567 10 0 FCAERP C[NH2+]CCOCCNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000627177724 493101766 /nfs/dbraw/zinc/10/17/66/493101766.db2.gz KTITYPUEXDVMQQ-IRXDYDNUSA-N 2 0 355.527 0.422 10 0 FCAERP CN1CC[NH+](CC2(C)CCN(C(=O)NCCOCCC[NH3+])CC2)CC1 ZINC000627216169 493108989 /nfs/dbraw/zinc/10/89/89/493108989.db2.gz OTRCNXBOPPBJDR-UHFFFAOYSA-N 2 0 355.527 0.411 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CCO1 ZINC000658927068 493112039 /nfs/dbraw/zinc/11/20/39/493112039.db2.gz LOMUVGVELLZDRW-SJORKVTESA-N 2 0 364.490 0.028 10 0 FCAERP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000633077902 493116624 /nfs/dbraw/zinc/11/66/24/493116624.db2.gz BXDAPGBYHMNSMN-QGZVFWFLSA-N 2 0 366.506 0.287 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@H]5C[N@@H+](C)C[C@@H]54)o3)[C@H]2C1 ZINC000646915798 493125345 /nfs/dbraw/zinc/12/53/45/493125345.db2.gz VHUYCLMIOFMHOL-FZKCQIBNSA-N 2 0 372.469 0.832 10 0 FCAERP C[C@H](C(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)[C@H](C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000646917884 493126971 /nfs/dbraw/zinc/12/69/71/493126971.db2.gz JKSYSRWTCNUDMI-ARAZSQDJSA-N 2 0 362.518 0.584 10 0 FCAERP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633109534 493131124 /nfs/dbraw/zinc/13/11/24/493131124.db2.gz OXDVRFRQTWJYIM-INIZCTEOSA-N 2 0 350.507 0.920 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627295430 493138452 /nfs/dbraw/zinc/13/84/52/493138452.db2.gz CZYUBJZJOMFCLB-KDURUIRLSA-N 2 0 350.507 0.683 10 0 FCAERP CN(C(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659072119 493138701 /nfs/dbraw/zinc/13/87/01/493138701.db2.gz CUVBYLTYYSPAPF-QZTJIDSGSA-N 2 0 372.469 0.981 10 0 FCAERP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297406 493140408 /nfs/dbraw/zinc/14/04/08/493140408.db2.gz JEXLOQFFTCSPLS-GJZGRUSLSA-N 2 0 354.495 0.108 10 0 FCAERP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659075429 493141153 /nfs/dbraw/zinc/14/11/53/493141153.db2.gz WYHRJAUCPMSGKC-QGZVFWFLSA-N 2 0 360.458 0.839 10 0 FCAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659079862 493142981 /nfs/dbraw/zinc/14/29/81/493142981.db2.gz ONSKYYTWDDWCRF-NVXWUHKLSA-N 2 0 358.442 0.639 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)ccc1F ZINC000627304992 493143190 /nfs/dbraw/zinc/14/31/90/493143190.db2.gz LDGLEVDJAGVMML-UHFFFAOYSA-N 2 0 366.437 0.128 10 0 FCAERP CCN1CCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)[C@H](C)C1 ZINC000659083408 493144863 /nfs/dbraw/zinc/14/48/63/493144863.db2.gz MHROCIMQDQKBCG-RHSMWYFYSA-N 2 0 360.458 0.839 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)[C@H](C)C1 ZINC000627313358 493147789 /nfs/dbraw/zinc/14/77/89/493147789.db2.gz CBEROZHPULUMGX-VQHPVUNQSA-N 2 0 368.522 0.496 10 0 FCAERP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1F ZINC000659100970 493153894 /nfs/dbraw/zinc/15/38/94/493153894.db2.gz HGNJZZRMLYGZAN-UHFFFAOYSA-N 2 0 364.421 0.654 10 0 FCAERP Cc1cc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)ccc1OCC[NH+](C)C ZINC000659104218 493154624 /nfs/dbraw/zinc/15/46/24/493154624.db2.gz GKRLVHSHZOWCNW-UHFFFAOYSA-N 2 0 360.458 0.742 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C(C)(C)C ZINC000627326014 493154643 /nfs/dbraw/zinc/15/46/43/493154643.db2.gz CFRFIHYHUKKRCC-ZOCIIQOWSA-N 2 0 352.523 0.927 10 0 FCAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000627329492 493156330 /nfs/dbraw/zinc/15/63/30/493156330.db2.gz LUAYNNHEGIETPY-RYQLBKOJSA-N 2 0 374.485 0.260 10 0 FCAERP Cc1ccc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c(OCC[NH+](C)C)c1 ZINC000659109933 493157803 /nfs/dbraw/zinc/15/78/03/493157803.db2.gz SESKTOOKUKOHFQ-ZIAGYGMSSA-N 2 0 366.437 0.772 10 0 FCAERP [NH3+]CCCOCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000627334311 493158525 /nfs/dbraw/zinc/15/85/25/493158525.db2.gz MQPURHSSMHVSSX-MRXNPFEDSA-N 2 0 354.495 0.381 10 0 FCAERP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000627338770 493161759 /nfs/dbraw/zinc/16/17/59/493161759.db2.gz PYRBMLBJNUHSIE-KRWDZBQOSA-N 2 0 371.485 0.563 10 0 FCAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627357487 493174772 /nfs/dbraw/zinc/17/47/72/493174772.db2.gz HSPDPWCPLMJBPX-OAGGEKHMSA-N 2 0 350.507 0.871 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659445925 493180370 /nfs/dbraw/zinc/18/03/70/493180370.db2.gz KBVYIIKQCMYHPC-HUUCEWRRSA-N 2 0 350.442 0.414 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000659449045 493182405 /nfs/dbraw/zinc/18/24/05/493182405.db2.gz OXKQVHJNVXYGJG-HZPDHXFCSA-N 2 0 365.453 0.559 10 0 FCAERP C[NH+](C)CCc1ccc(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000627387977 493195930 /nfs/dbraw/zinc/19/59/30/493195930.db2.gz GQEGOQHSVUICAA-UHFFFAOYSA-N 2 0 362.474 0.031 10 0 FCAERP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000659347545 493196975 /nfs/dbraw/zinc/19/69/75/493196975.db2.gz FUZDKKBNQQJRIJ-GVDBMIGSSA-N 2 0 354.458 0.906 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)Cc1ccc(F)cc1 ZINC000627393862 493199479 /nfs/dbraw/zinc/19/94/79/493199479.db2.gz NSHRRCUHZLKYQX-MRXNPFEDSA-N 2 0 362.449 0.775 10 0 FCAERP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627417949 493208924 /nfs/dbraw/zinc/20/89/24/493208924.db2.gz IRVDHGIMOHINEC-OAHLLOKOSA-N 2 0 354.495 0.333 10 0 FCAERP CC[C@H]1C[N@H+](C)CCN1C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000659626073 493222111 /nfs/dbraw/zinc/22/21/11/493222111.db2.gz CRSRDJWHLYQSBP-INIZCTEOSA-N 2 0 353.511 0.713 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000666980485 493245167 /nfs/dbraw/zinc/24/51/67/493245167.db2.gz ZFRZQWBBTZYRPM-QZTJIDSGSA-N 2 0 368.522 0.992 10 0 FCAERP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659687203 493253283 /nfs/dbraw/zinc/25/32/83/493253283.db2.gz GPFQTXGBZSISEF-UHFFFAOYSA-N 2 0 350.507 0.729 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(Cl)cn1 ZINC000672823534 493255729 /nfs/dbraw/zinc/25/57/29/493255729.db2.gz QDEGZYBEQZPTOD-UHFFFAOYSA-N 2 0 355.870 0.303 10 0 FCAERP O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659691310 493255844 /nfs/dbraw/zinc/25/58/44/493255844.db2.gz GZPMBCKAQAPHDD-UHFFFAOYSA-N 2 0 356.470 0.767 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC000659691207 493256189 /nfs/dbraw/zinc/25/61/89/493256189.db2.gz VDTJTDDBZVOJSW-BRWVUGGUSA-N 2 0 362.449 0.665 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000659698471 493259585 /nfs/dbraw/zinc/25/95/85/493259585.db2.gz NXISSLITJSXEBX-KFWWJZLASA-N 2 0 354.401 0.442 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000659698519 493259730 /nfs/dbraw/zinc/25/97/30/493259730.db2.gz PNUYQGWTXZYDSG-RYZJOYRSSA-N 2 0 356.470 0.808 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659699133 493259980 /nfs/dbraw/zinc/25/99/80/493259980.db2.gz QJEPZVLTMXMCIM-QGZVFWFLSA-N 2 0 368.522 0.309 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659700547 493261411 /nfs/dbraw/zinc/26/14/11/493261411.db2.gz NNLNOCKRYJZKCM-DSRNLFJRSA-N 2 0 356.470 0.573 10 0 FCAERP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659705540 493264282 /nfs/dbraw/zinc/26/42/82/493264282.db2.gz YGQQYPGOUYQWCG-MSOLQXFVSA-N 2 0 362.518 0.825 10 0 FCAERP CC1[C@H](C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000667182068 493265259 /nfs/dbraw/zinc/26/52/59/493265259.db2.gz UAZDKINKLGCIFI-USJZOSNVSA-N 2 0 360.502 0.574 10 0 FCAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659711132 493266781 /nfs/dbraw/zinc/26/67/81/493266781.db2.gz XABWWWUNWDNYGY-KURKYZTESA-N 2 0 362.518 0.968 10 0 FCAERP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000641651549 493270879 /nfs/dbraw/zinc/27/08/79/493270879.db2.gz DDANUMMHXHNCHR-ZIAGYGMSSA-N 2 0 361.412 0.478 10 0 FCAERP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000659739771 493280314 /nfs/dbraw/zinc/28/03/14/493280314.db2.gz ZXRJHZWRTICPNJ-IAGOWNOFSA-N 2 0 350.507 0.825 10 0 FCAERP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000659740068 493280327 /nfs/dbraw/zinc/28/03/27/493280327.db2.gz KBNZYALZKPRUDB-ZWKOTPCHSA-N 2 0 370.497 0.965 10 0 FCAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000659740571 493281072 /nfs/dbraw/zinc/28/10/72/493281072.db2.gz IAJQXZZGLRUSCW-VQIMIIECSA-N 2 0 350.507 0.825 10 0 FCAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659742675 493282082 /nfs/dbraw/zinc/28/20/82/493282082.db2.gz CRRBKEXDXNHEMB-OHTSDLOESA-N 2 0 356.470 0.588 10 0 FCAERP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000659742574 493282314 /nfs/dbraw/zinc/28/23/14/493282314.db2.gz ABRNMUYDDRJVIJ-UHFFFAOYSA-N 2 0 362.518 0.969 10 0 FCAERP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673870986 493370236 /nfs/dbraw/zinc/37/02/36/493370236.db2.gz GJFDIJXJPNQXLV-UHFFFAOYSA-N 2 0 365.526 0.934 10 0 FCAERP CC(C)C[NH2+]C1(CO)CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000660695886 493373135 /nfs/dbraw/zinc/37/31/35/493373135.db2.gz WAICQJUSQKQHQI-UHFFFAOYSA-N 2 0 366.550 0.802 10 0 FCAERP CC[N@H+](CCNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1CC1 ZINC000668776788 493408310 /nfs/dbraw/zinc/40/83/10/493408310.db2.gz HEIXBULDNNNXFI-MRXNPFEDSA-N 2 0 354.495 0.156 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000668786853 493410523 /nfs/dbraw/zinc/41/05/23/493410523.db2.gz IZBPBOMDXTYWLP-LSDHHAIUSA-N 2 0 354.495 0.202 10 0 FCAERP C(=C/C[N@@H+]1CC[C@H](Cn2ccnn2)C1)\C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143371 493411623 /nfs/dbraw/zinc/41/16/23/493411623.db2.gz UBGRGVBBHJIHJJ-QLJMBOKNSA-N 2 0 356.478 0.770 10 0 FCAERP C[C@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)[C@H]1C(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000669178627 493473287 /nfs/dbraw/zinc/47/32/87/493473287.db2.gz HLQMMFMOQKKZRX-ADHGMGHFSA-N 2 0 364.534 0.974 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000662152858 493493127 /nfs/dbraw/zinc/49/31/27/493493127.db2.gz IHCGSWHBSMHDJM-PMACEKPBSA-N 2 0 374.529 0.937 10 0 FCAERP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290834 493503662 /nfs/dbraw/zinc/50/36/62/493503662.db2.gz LTJSDRYIAILTDP-GDBMZVCRSA-N 2 0 350.507 0.824 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000662322990 493506075 /nfs/dbraw/zinc/50/60/75/493506075.db2.gz OAWYEGVMDVBOAD-GOSISDBHSA-N 2 0 352.523 0.772 10 0 FCAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000675898894 493511089 /nfs/dbraw/zinc/51/10/89/493511089.db2.gz RALBDBFJWVZQLK-VQTJNVASSA-N 2 0 374.529 0.718 10 0 FCAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000676088953 493522701 /nfs/dbraw/zinc/52/27/01/493522701.db2.gz FRFCVOYGFJLKTE-HZPDHXFCSA-N 2 0 354.414 0.949 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cn1 ZINC000676092989 493523593 /nfs/dbraw/zinc/52/35/93/493523593.db2.gz AVQMSTOKGMJQHP-UHFFFAOYSA-N 2 0 364.494 0.716 10 0 FCAERP C[NH+](C)[C@@]1(CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CCSC1 ZINC000662682780 493531645 /nfs/dbraw/zinc/53/16/45/493531645.db2.gz UXAQNTOTTOFIAU-XJKSGUPXSA-N 2 0 352.508 0.760 10 0 FCAERP C[C@@H]1C[N@@H+](CCCCNC(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000662690280 493532208 /nfs/dbraw/zinc/53/22/08/493532208.db2.gz ZIIRHSLHHXSYGE-GASCZTMLSA-N 2 0 364.494 0.822 10 0 FCAERP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)on1 ZINC000662732756 493536203 /nfs/dbraw/zinc/53/62/03/493536203.db2.gz FUNSMNUICVVWBR-CYBMUJFWSA-N 2 0 351.451 0.005 10 0 FCAERP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662832988 493545313 /nfs/dbraw/zinc/54/53/13/493545313.db2.gz LGZKXUROLQLSEI-JKSUJKDBSA-N 2 0 362.478 0.530 10 0 FCAERP [NH3+]CCCCn1cc(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)nn1 ZINC000662857912 493547571 /nfs/dbraw/zinc/54/75/71/493547571.db2.gz CUWPOMGXROMSHB-KRWDZBQOSA-N 2 0 372.473 0.514 10 0 FCAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662947021 493559211 /nfs/dbraw/zinc/55/92/11/493559211.db2.gz GNXOMTUMWWGMHH-CVEARBPZSA-N 2 0 356.511 0.387 10 0 FCAERP C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)[C@H]1C[NH3+] ZINC000662957232 493560466 /nfs/dbraw/zinc/56/04/66/493560466.db2.gz GORSNICHIBBFLG-OAGGEKHMSA-N 2 0 354.495 0.141 10 0 FCAERP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)c2)CC1 ZINC000670407276 493561456 /nfs/dbraw/zinc/56/14/56/493561456.db2.gz NTBHFUMZNXIOMB-HXUWFJFHSA-N 2 0 371.529 0.554 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CCO1 ZINC000662974083 493562987 /nfs/dbraw/zinc/56/29/87/493562987.db2.gz ZYJLTUNSRXYRPX-CABCVRRESA-N 2 0 350.467 0.385 10 0 FCAERP Cc1cc(CN(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)no1 ZINC000670435905 493566918 /nfs/dbraw/zinc/56/69/18/493566918.db2.gz IFKLKHLBZOIDIS-AWEZNQCLSA-N 2 0 363.462 0.226 10 0 FCAERP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[C@H]2C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000677868685 493620318 /nfs/dbraw/zinc/62/03/18/493620318.db2.gz MKUJNMDGDSQWOF-YYIAUSFCSA-N 2 0 350.507 0.824 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000663871768 493622319 /nfs/dbraw/zinc/62/23/19/493622319.db2.gz KSBLVNDKRPLWCR-ZDUSSCGKSA-N 2 0 353.433 0.806 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671106054 493635624 /nfs/dbraw/zinc/63/56/24/493635624.db2.gz XPZGAFFARULFQO-SJORKVTESA-N 2 0 350.507 0.968 10 0 FCAERP C[C@@H](CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000664223106 493645922 /nfs/dbraw/zinc/64/59/22/493645922.db2.gz XYZPMKPPTOVMOW-ROUUACIJSA-N 2 0 369.554 0.622 10 0 FCAERP C[C@@H](CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000664223109 493645967 /nfs/dbraw/zinc/64/59/67/493645967.db2.gz XYZPMKPPTOVMOW-ZWKOTPCHSA-N 2 0 369.554 0.622 10 0 FCAERP CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000678709513 493656898 /nfs/dbraw/zinc/65/68/98/493656898.db2.gz UPJPAEABEXGACG-UHFFFAOYSA-N 2 0 350.467 0.372 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671343513 493657533 /nfs/dbraw/zinc/65/75/33/493657533.db2.gz NOMJWYAXROKZOV-RBUKOAKNSA-N 2 0 372.513 0.876 10 0 FCAERP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCN2CCc3sccc3C2)C1 ZINC000671390941 493663279 /nfs/dbraw/zinc/66/32/79/493663279.db2.gz KHNJEGCDJFUJGR-AWEZNQCLSA-N 2 0 350.488 0.433 10 0 FCAERP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CCCO1 ZINC000664759358 493681764 /nfs/dbraw/zinc/68/17/64/493681764.db2.gz UHANIRIPLNSAIN-AEFFLSMTSA-N 2 0 368.522 0.728 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000679833493 493696954 /nfs/dbraw/zinc/69/69/54/493696954.db2.gz WLZVVUMXKLUTFW-CVEARBPZSA-N 2 0 372.307 0.680 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000665287106 493707946 /nfs/dbraw/zinc/70/79/46/493707946.db2.gz BREGFAXLJZFHLE-CVEARBPZSA-N 2 0 359.536 0.922 10 0 FCAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665363166 493711757 /nfs/dbraw/zinc/71/17/57/493711757.db2.gz UHRCKLPADAHSEM-JKSUJKDBSA-N 2 0 365.522 0.807 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)cn1 ZINC000680575882 493724344 /nfs/dbraw/zinc/72/43/44/493724344.db2.gz PWVCWVWFMDQZPY-UHFFFAOYSA-N 2 0 364.494 0.621 10 0 FCAERP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000672102752 493736105 /nfs/dbraw/zinc/73/61/05/493736105.db2.gz QXNKOXQLZVBVJV-UHFFFAOYSA-N 2 0 373.501 0.967 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000672164359 493739674 /nfs/dbraw/zinc/73/96/74/493739674.db2.gz YPQREROQGXFVEJ-BRWVUGGUSA-N 2 0 368.522 0.593 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000666123205 493758768 /nfs/dbraw/zinc/75/87/68/493758768.db2.gz QVHIFMWXKXHRTD-HNNXBMFYSA-N 2 0 369.893 0.852 10 0 FCAERP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000666130897 493759344 /nfs/dbraw/zinc/75/93/44/493759344.db2.gz JOCIPIMOCNVOIV-QZTJIDSGSA-N 2 0 351.491 0.241 10 0 FCAERP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000935975180 674336315 /nfs/dbraw/zinc/33/63/15/674336315.db2.gz FZTNOYUJNQIGDG-MHORFTMASA-N 2 0 351.491 0.951 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414657555 535110393 /nfs/dbraw/zinc/11/03/93/535110393.db2.gz HRMNVQWUJVADIO-KRWDZBQOSA-N 2 0 360.458 0.701 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C[C@H]2[C@H](C)O)C1 ZINC000443339270 535117009 /nfs/dbraw/zinc/11/70/09/535117009.db2.gz BYIZDYNABSQCBK-FJIDUMEYSA-N 2 0 355.523 0.941 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419596062 535477907 /nfs/dbraw/zinc/47/79/07/535477907.db2.gz XMIOKVDYIKVOTH-QGZVFWFLSA-N 2 0 361.490 0.668 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414769689 535857431 /nfs/dbraw/zinc/85/74/31/535857431.db2.gz KMGUZUUFXDGECW-KRWDZBQOSA-N 2 0 360.458 0.798 10 0 FCAERP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CCC[N@@H+]3CCCO)ccn2)CC1 ZINC000452783002 536418454 /nfs/dbraw/zinc/41/84/54/536418454.db2.gz LLBWIEUZHIKLGB-QGZVFWFLSA-N 2 0 361.490 0.410 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000550783848 547104746 /nfs/dbraw/zinc/10/47/46/547104746.db2.gz AJDHIOKEMZTMAP-MRXNPFEDSA-N 2 0 354.495 0.015 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000552775003 547231740 /nfs/dbraw/zinc/23/17/40/547231740.db2.gz VTVMCMSEEISENL-ARAOSMHQSA-N 2 0 350.507 0.822 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000926334865 663467283 /nfs/dbraw/zinc/46/72/83/663467283.db2.gz VNSPIUMCIDTRLA-HOTGVXAUSA-N 2 0 356.511 0.247 10 0 FCAERP CCO[C@H](CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C[NH+](C)C ZINC000926840455 664134238 /nfs/dbraw/zinc/13/42/38/664134238.db2.gz FZEKXLVPTQENSN-MRXNPFEDSA-N 2 0 357.543 0.668 10 0 FCAERP CCOCCCN1CC[C@H]([NH2+]CC[C@H]2CNCCS2(=O)=O)[C@@H](C)C1 ZINC000925794236 664816485 /nfs/dbraw/zinc/81/64/85/664816485.db2.gz LWJCNMHHNJGYAD-ULQDDVLXSA-N 2 0 361.552 0.490 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC[C@H]1CC[C@@H](C2OCCO2)O1 ZINC000896682028 665102522 /nfs/dbraw/zinc/10/25/22/665102522.db2.gz PPNIRYAGJXPZAD-CVEARBPZSA-N 2 0 357.495 0.639 10 0 FCAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896898817 665128148 /nfs/dbraw/zinc/12/81/48/665128148.db2.gz WZHHCBWLRGYQAB-INIZCTEOSA-N 2 0 352.523 0.487 10 0 FCAERP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CCSC1 ZINC000921312092 666434071 /nfs/dbraw/zinc/43/40/71/666434071.db2.gz OXWHQAYBLPKVSR-NVXWUHKLSA-N 2 0 356.536 0.976 10 0 FCAERP COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccnn1CC[NH+](C)C ZINC000913427988 666526237 /nfs/dbraw/zinc/52/62/37/666526237.db2.gz WTQSEIHAKHOSSD-UHFFFAOYSA-N 2 0 351.495 0.875 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000941216156 666593663 /nfs/dbraw/zinc/59/36/63/666593663.db2.gz HNOHSNOKSWPVPN-BRWVUGGUSA-N 2 0 350.507 0.729 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000914059814 666687437 /nfs/dbraw/zinc/68/74/37/666687437.db2.gz RDPNTJLJYITFNQ-UHFFFAOYSA-N 2 0 370.475 0.131 10 0 FCAERP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000916843888 667033352 /nfs/dbraw/zinc/03/33/52/667033352.db2.gz XTVXIGHFOPXKRH-FPCVCCKLSA-N 2 0 354.520 0.729 10 0 FCAERP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000918955363 667143670 /nfs/dbraw/zinc/14/36/70/667143670.db2.gz CTPKIPICAJQEKN-QGZVFWFLSA-N 2 0 355.504 0.825 10 0 FCAERP CN(c1ccccc1C[NH2+]C[C@@H](O)CS(C)(=O)=O)C1CC[NH+](C)CC1 ZINC000922821275 667684626 /nfs/dbraw/zinc/68/46/26/667684626.db2.gz JSNCGXCFJWENLA-QGZVFWFLSA-N 2 0 369.531 0.712 10 0 FCAERP CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CC[C@@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000923359617 667828714 /nfs/dbraw/zinc/82/87/14/667828714.db2.gz SZPHVANSPDBWDK-SOUVJXGZSA-N 2 0 359.536 0.672 10 0 FCAERP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000923406747 667832400 /nfs/dbraw/zinc/83/24/00/667832400.db2.gz ZURRQURBYWTPBW-SOUVJXGZSA-N 2 0 369.535 0.205 10 0 FCAERP C[C@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC[C@@H]1C[NH3+] ZINC000923501631 667842314 /nfs/dbraw/zinc/84/23/14/667842314.db2.gz UTWHUUAJTUFMLY-NWDGAFQWSA-N 2 0 354.401 0.936 10 0 FCAERP COC(=O)[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]([C@H]2CCCO2)C1 ZINC000923555764 667848408 /nfs/dbraw/zinc/84/84/08/667848408.db2.gz VNVIMOJLFLOYDS-BZUAXINKSA-N 2 0 353.463 0.241 10 0 FCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787109745 668787899 /nfs/dbraw/zinc/78/78/99/668787899.db2.gz YCQDYFXATRJRSW-MRXNPFEDSA-N 2 0 354.495 0.156 10 0 FCAERP Cc1cc([C@H]([NH3+])CC(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cc(Cl)n1 ZINC000832814355 669926657 /nfs/dbraw/zinc/92/66/57/669926657.db2.gz AFVKCWGKOOOZKB-LLVKDONJSA-N 2 0 364.841 0.600 10 0 FCAERP CN(C(=O)N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000842006125 670624956 /nfs/dbraw/zinc/62/49/56/670624956.db2.gz VNGWZFGHHGGIHD-GJZGRUSLSA-N 2 0 359.465 0.794 10 0 FCAERP CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000842006132 670625058 /nfs/dbraw/zinc/62/50/58/670625058.db2.gz VNGWZFGHHGGIHD-LSDHHAIUSA-N 2 0 359.465 0.794 10 0 FCAERP COC(=O)/C=C/c1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1 ZINC000842481263 670693463 /nfs/dbraw/zinc/69/34/63/670693463.db2.gz IUJZEDZGUBOQFS-RMKNXTFCSA-N 2 0 355.460 0.561 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000843067783 670772728 /nfs/dbraw/zinc/77/27/28/670772728.db2.gz IMBLHFAMFRNLID-BBRMVZONSA-N 2 0 361.408 0.937 10 0 FCAERP CCOC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000843387046 670810686 /nfs/dbraw/zinc/81/06/86/670810686.db2.gz QEKVODSDIPWCPI-GASCZTMLSA-N 2 0 352.479 0.655 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCSCC2)C[C@H]1C[NH+](C)C ZINC000867383034 670987664 /nfs/dbraw/zinc/98/76/64/670987664.db2.gz XHPVSEMLKPOWLT-HUUCEWRRSA-N 2 0 356.536 0.150 10 0 FCAERP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000867387310 671017301 /nfs/dbraw/zinc/01/73/01/671017301.db2.gz AJAMDFWMOXTJQV-DOTOQJQBSA-N 2 0 350.507 0.872 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000867421137 671109917 /nfs/dbraw/zinc/10/99/17/671109917.db2.gz PECSQNUOXDEVFW-UHFFFAOYSA-N 2 0 350.507 0.875 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000867438549 671146938 /nfs/dbraw/zinc/14/69/38/671146938.db2.gz REKODZUCYWXVKH-HUUCEWRRSA-N 2 0 356.536 0.150 10 0 FCAERP C[C@@H]1C[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C[C@H]1CC[NH3+] ZINC000903497282 675933907 /nfs/dbraw/zinc/93/39/07/675933907.db2.gz TVFYGPHHTQUCQL-NVXWUHKLSA-N 2 0 350.507 0.764 10 0 FCAERP [NH3+][C@H]1CCC[C@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000861642581 671977233 /nfs/dbraw/zinc/97/72/33/671977233.db2.gz BLRNZDMISXPTCU-VIRABCJISA-N 2 0 351.451 0.223 10 0 FCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903724466 675964097 /nfs/dbraw/zinc/96/40/97/675964097.db2.gz RVSNAXBYGIPXFM-IJLUTSLNSA-N 2 0 350.385 0.135 10 0 FCAERP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C[NH2+]1 ZINC000861751199 671990880 /nfs/dbraw/zinc/99/08/80/671990880.db2.gz ZWIBFRBLLAPXAD-VNQPRFMTSA-N 2 0 352.479 0.003 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)o1 ZINC000903728295 675964584 /nfs/dbraw/zinc/96/45/84/675964584.db2.gz MLVFSWGFVMOXMQ-OAHLLOKOSA-N 2 0 350.463 0.674 10 0 FCAERP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903735273 675965296 /nfs/dbraw/zinc/96/52/96/675965296.db2.gz JIKLCRCDXGFBCX-WOPDTQHZSA-N 2 0 350.385 0.277 10 0 FCAERP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903744016 675966510 /nfs/dbraw/zinc/96/65/10/675966510.db2.gz YARYCGGJMSAJFV-CHWSQXEVSA-N 2 0 364.412 0.669 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C[C@H]1CC[NH3+] ZINC000903747136 675966881 /nfs/dbraw/zinc/96/68/81/675966881.db2.gz JVDPLGBNQJMEKX-HUUCEWRRSA-N 2 0 350.463 0.613 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000903750159 675967587 /nfs/dbraw/zinc/96/75/87/675967587.db2.gz HPFWKLDIFUDMEE-WRWGMCAJSA-N 2 0 350.385 0.276 10 0 FCAERP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000903750158 675967681 /nfs/dbraw/zinc/96/76/81/675967681.db2.gz HPFWKLDIFUDMEE-NNYUYHANSA-N 2 0 350.385 0.276 10 0 FCAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903754810 675968093 /nfs/dbraw/zinc/96/80/93/675968093.db2.gz QRYBGOXNUJAXOO-JHJVBQTASA-N 2 0 364.412 0.525 10 0 FCAERP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903755595 675968306 /nfs/dbraw/zinc/96/83/06/675968306.db2.gz ADPGAFICZRNBPH-NWDGAFQWSA-N 2 0 352.401 0.523 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C[C@H]1CC[NH3+] ZINC000903774182 675971935 /nfs/dbraw/zinc/97/19/35/675971935.db2.gz XQBXLPLVRCCKQC-HZPDHXFCSA-N 2 0 350.507 0.907 10 0 FCAERP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000903781665 675972804 /nfs/dbraw/zinc/97/28/04/675972804.db2.gz ZRXDIENKCYDLPG-KRWDZBQOSA-N 2 0 350.507 0.921 10 0 FCAERP CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC(C)(C)C[NH+]1CCOCC1 ZINC000903898235 675981132 /nfs/dbraw/zinc/98/11/32/675981132.db2.gz MQYFXHJBDOIOQP-MRXNPFEDSA-N 2 0 350.511 0.993 10 0 FCAERP O=S(=O)([C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)N1CCOCC1 ZINC000903909194 675981769 /nfs/dbraw/zinc/98/17/69/675981769.db2.gz RJPXYJZNZKOYPV-HMQMGEFJSA-N 2 0 357.520 0.643 10 0 FCAERP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000865584547 672245372 /nfs/dbraw/zinc/24/53/72/672245372.db2.gz WDKZRTKLTVOELA-KBPBESRZSA-N 2 0 358.483 0.278 10 0 FCAERP CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)C ZINC000866708491 672290308 /nfs/dbraw/zinc/29/03/08/672290308.db2.gz NXTKFEGVFXPBCT-JJXSEGSLSA-N 2 0 352.479 0.887 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866822190 672313128 /nfs/dbraw/zinc/31/31/28/672313128.db2.gz AIDSYEDKLOPJJP-CABCVRRESA-N 2 0 355.508 0.577 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@@H]1C ZINC000867488652 672324367 /nfs/dbraw/zinc/32/43/67/672324367.db2.gz BEDREIVLCSPFIG-YYIAUSFCSA-N 2 0 352.523 0.689 10 0 FCAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000867542017 672334343 /nfs/dbraw/zinc/33/43/43/672334343.db2.gz ZLWVTWZMUZCGDJ-GVDBMIGSSA-N 2 0 350.507 0.729 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)cn1 ZINC000868267224 672391478 /nfs/dbraw/zinc/39/14/78/672391478.db2.gz GONRIHVKOLKEMG-CYBMUJFWSA-N 2 0 350.467 0.278 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)[C@H](C[NH3+])C1 ZINC000868394307 672398376 /nfs/dbraw/zinc/39/83/76/672398376.db2.gz QRAJGJYJBAYQTO-CVEARBPZSA-N 2 0 350.507 0.907 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000868534692 672403365 /nfs/dbraw/zinc/40/33/65/672403365.db2.gz KCNSHWIHJRSAOF-KSSFIOAISA-N 2 0 354.495 0.996 10 0 FCAERP CC(C)C[C@@]1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCNC1=O ZINC000870016529 672461382 /nfs/dbraw/zinc/46/13/82/672461382.db2.gz NKQDEYJBUZZKOE-MDZRGWNJSA-N 2 0 352.523 0.737 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C[NH+](C)C ZINC000870016759 672461397 /nfs/dbraw/zinc/46/13/97/672461397.db2.gz YHCHGAPPLBHSNX-SYQHCUMBSA-N 2 0 367.412 0.531 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CNC(=O)C2CCCCC2)C[C@H]1C[NH+](C)C ZINC000870025771 672462442 /nfs/dbraw/zinc/46/24/42/672462442.db2.gz XRBNVOGKBBZZBG-IAGOWNOFSA-N 2 0 352.523 0.881 10 0 FCAERP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870996429 672524403 /nfs/dbraw/zinc/52/44/03/672524403.db2.gz BTLVMTIPWHHKON-QXSJWSMHSA-N 2 0 350.463 0.678 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000871813273 672574296 /nfs/dbraw/zinc/57/42/96/672574296.db2.gz PMSDSVQPVCUSBI-OLZOCXBDSA-N 2 0 372.457 0.023 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872188494 672597920 /nfs/dbraw/zinc/59/79/20/672597920.db2.gz WXGSALMONRCXNH-YNEHKIRRSA-N 2 0 364.412 0.382 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000872190716 672599543 /nfs/dbraw/zinc/59/95/43/672599543.db2.gz FBILOXUJMCQEQH-XQQFMLRXSA-N 2 0 364.412 0.382 10 0 FCAERP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872191058 672599839 /nfs/dbraw/zinc/59/98/39/672599839.db2.gz HRYMJGKZBVTUTD-QFBILLFUSA-N 2 0 350.507 0.635 10 0 FCAERP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)C2)C1 ZINC000872194715 672602820 /nfs/dbraw/zinc/60/28/20/672602820.db2.gz KEMRUHSVQVCFEK-JMSVASOKSA-N 2 0 362.396 0.136 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CC1 ZINC000872229373 672606319 /nfs/dbraw/zinc/60/63/19/672606319.db2.gz QBNMDJAFZBWENK-JFIYKMOQSA-N 2 0 367.515 0.189 10 0 FCAERP [NH3+][C@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(Cl)c1 ZINC000872308983 672611979 /nfs/dbraw/zinc/61/19/79/672611979.db2.gz OYFPFFUUKVBCBH-XGUBFFRZSA-N 2 0 364.833 0.733 10 0 FCAERP CCNC(=O)C(C)(C)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875403025 672877654 /nfs/dbraw/zinc/87/76/54/672877654.db2.gz IGSAHNHCACUWCF-HUUCEWRRSA-N 2 0 355.527 0.530 10 0 FCAERP CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875437649 672882329 /nfs/dbraw/zinc/88/23/29/672882329.db2.gz QFOYHLYSORQACM-WCVJEAGWSA-N 2 0 353.511 0.282 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000923654031 672989449 /nfs/dbraw/zinc/98/94/49/672989449.db2.gz DGAUDSFAWQIFFK-ULQDDVLXSA-N 2 0 353.488 0.812 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000923678309 673075539 /nfs/dbraw/zinc/07/55/39/673075539.db2.gz KRTJDCDMSNZXCK-NVXWUHKLSA-N 2 0 369.535 0.872 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925179092 673782767 /nfs/dbraw/zinc/78/27/67/673782767.db2.gz RSPIGQNHPXVNCY-JKSUJKDBSA-N 2 0 357.568 0.749 10 0 FCAERP O=S(=O)(Cc1ccon1)NCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925543801 673793819 /nfs/dbraw/zinc/79/38/19/673793819.db2.gz WLGYMVUWIHOSOF-JKSUJKDBSA-N 2 0 356.492 0.852 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC[C@H]1C[NH3+] ZINC000926301143 673820905 /nfs/dbraw/zinc/82/09/05/673820905.db2.gz YGOCUHLAEMWQJV-CVEARBPZSA-N 2 0 350.507 0.907 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926305101 673821250 /nfs/dbraw/zinc/82/12/50/673821250.db2.gz ZWDLEIHJMHQPDQ-DOTOQJQBSA-N 2 0 350.507 0.764 10 0 FCAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926320783 673822213 /nfs/dbraw/zinc/82/22/13/673822213.db2.gz NPYFFQBKLKQFCH-HNAYVOBHSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926320782 673822270 /nfs/dbraw/zinc/82/22/70/673822270.db2.gz NPYFFQBKLKQFCH-DNVCBOLYSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC[C@H]1C[NH3+] ZINC000926324489 673822468 /nfs/dbraw/zinc/82/24/68/673822468.db2.gz CCVVQUBSDADCAK-IKGGRYGDSA-N 2 0 350.507 0.907 10 0 FCAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1)CC2 ZINC000926348886 673825548 /nfs/dbraw/zinc/82/55/48/673825548.db2.gz WFBPBMQNUOFUQF-VQHPVUNQSA-N 2 0 350.507 0.903 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC2(CCOCC2)O1 ZINC000927181218 673853284 /nfs/dbraw/zinc/85/32/84/673853284.db2.gz UNVYZGAZPNCKFT-INIZCTEOSA-N 2 0 356.511 0.849 10 0 FCAERP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000927635187 673872364 /nfs/dbraw/zinc/87/23/64/673872364.db2.gz QBMSHBCBJMCCBB-NVXWUHKLSA-N 2 0 354.495 0.386 10 0 FCAERP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000927635188 673872483 /nfs/dbraw/zinc/87/24/83/673872483.db2.gz QBMSHBCBJMCCBB-RDJZCZTQSA-N 2 0 354.495 0.386 10 0 FCAERP C[C@@H]1[C@H](NC(=O)CCSCCC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC[NH+]1C ZINC000928447337 673910429 /nfs/dbraw/zinc/91/04/29/673910429.db2.gz JOGIEFJRQBHQCY-GEEKYZPCSA-N 2 0 370.563 0.917 10 0 FCAERP O=C(NCCC[NH+]1CCCCC1)C(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000929244830 673945467 /nfs/dbraw/zinc/94/54/67/673945467.db2.gz OWQLPVDCNDMCTE-HZPDHXFCSA-N 2 0 368.547 0.675 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC23CC[NH+](C)CC3)CC1 ZINC000929647445 673969932 /nfs/dbraw/zinc/96/99/32/673969932.db2.gz UGQGJFVITQABBH-UHFFFAOYSA-N 2 0 350.507 0.921 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)C[NH+](C)C ZINC000929793065 673977257 /nfs/dbraw/zinc/97/72/57/673977257.db2.gz OUZVBVKWFUKNOG-HOTGVXAUSA-N 2 0 356.511 0.306 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)C[NH+](C)C ZINC000929793069 673977340 /nfs/dbraw/zinc/97/73/40/673977340.db2.gz OUZVBVKWFUKNOG-JKSUJKDBSA-N 2 0 356.511 0.306 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCN(C)CC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC001480865594 1167937176 /nfs/dbraw/zinc/93/71/76/1167937176.db2.gz KBJAUJFDMGAJMG-OWCLPIDISA-N 2 0 354.495 0.060 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001719582021 1168442843 /nfs/dbraw/zinc/44/28/43/1168442843.db2.gz ZZNJFNLMYVDLSV-SJORKVTESA-N 2 0 352.523 0.975 10 0 FCAERP C[C@@H](CNC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039815 1169357572 /nfs/dbraw/zinc/35/75/72/1169357572.db2.gz HOCPAGZRAXHAHA-USCDRTNBSA-N 2 0 366.506 0.342 10 0 FCAERP CC(=O)NCCOCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266787440 1170522612 /nfs/dbraw/zinc/52/26/12/1170522612.db2.gz XYMSADMYCVZPDD-BPQIPLTHSA-N 2 0 368.522 0.308 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1C(=O)Cc1cncn1C ZINC001719620603 1170687472 /nfs/dbraw/zinc/68/74/72/1170687472.db2.gz CGYCOBTZSHZQGZ-WBVHZDCISA-N 2 0 361.490 0.944 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CCN1c1cc[nH+]cc1 ZINC000897786091 1192846660 /nfs/dbraw/zinc/84/66/60/1192846660.db2.gz QJGGTVOQTFEDHI-OAHLLOKOSA-N 2 0 359.474 0.719 10 0 FCAERP CCN1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000897975140 1192852314 /nfs/dbraw/zinc/85/23/14/1192852314.db2.gz CJSXABKWLGTNOL-QAPCUYQASA-N 2 0 373.501 0.934 10 0 FCAERP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000898127686 1192858832 /nfs/dbraw/zinc/85/88/32/1192858832.db2.gz IITJEMJLSJFCDB-CVEARBPZSA-N 2 0 359.474 0.719 10 0 FCAERP CCN1CC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000898109559 1192857794 /nfs/dbraw/zinc/85/77/94/1192857794.db2.gz HHSQEKHAVUEXKN-GOSISDBHSA-N 2 0 373.501 0.620 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@]2(C)C1 ZINC001719683432 1179356095 /nfs/dbraw/zinc/35/60/95/1179356095.db2.gz NCSJAUXRHMRSMI-APWZRJJASA-N 2 0 352.523 0.975 10 0 FCAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001719712651 1179681530 /nfs/dbraw/zinc/68/15/30/1179681530.db2.gz JDRDZEKAQIGIIP-KBAYOESNSA-N 2 0 364.534 0.881 10 0 FCAERP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)C1 ZINC001719730987 1179820654 /nfs/dbraw/zinc/82/06/54/1179820654.db2.gz GMRVXDQEGSGYEG-GVDBMIGSSA-N 2 0 352.523 0.881 10 0 FCAERP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001719755660 1179890921 /nfs/dbraw/zinc/89/09/21/1179890921.db2.gz WWDDYLREXUOFOQ-BRWVUGGUSA-N 2 0 368.522 0.117 10 0 FCAERP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001719770796 1179948357 /nfs/dbraw/zinc/94/83/57/1179948357.db2.gz LSHIAGZNXADBLU-ZACQAIPSSA-N 2 0 352.523 0.881 10 0 FCAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000659073330 1181987375 /nfs/dbraw/zinc/98/73/75/1181987375.db2.gz MLYGQXTXPPBEOR-KRWDZBQOSA-N 2 0 358.442 0.593 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC(=O)Nc2c(C)n[nH]c2C)CC[N@@H+]1C ZINC001481232137 1182927353 /nfs/dbraw/zinc/92/73/53/1182927353.db2.gz VUKXQSGXZBWVAS-LSDHHAIUSA-N 2 0 364.494 0.743 10 0 FCAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001719858347 1183014664 /nfs/dbraw/zinc/01/46/64/1183014664.db2.gz NPUVUBKCOFMURS-BDXSIMOUSA-N 2 0 374.529 0.918 10 0 FCAERP C[N@@H+]1C[C@H](C(=O)NCC2C[NH+](CCOCCO)C2)[C@@H](c2ccccc2)C1 ZINC001481646328 1186659427 /nfs/dbraw/zinc/65/94/27/1186659427.db2.gz GYLPCPSNVBZWED-MOPGFXCFSA-N 2 0 361.486 0.389 10 0 FCAERP C[C@H](CC[NH2+]Cc1nnnn1-c1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268366813 1187467567 /nfs/dbraw/zinc/46/75/67/1187467567.db2.gz PSYCRGSMEMLDCF-BFYDXBDKSA-N 2 0 371.489 0.987 10 0 FCAERP Cc1cc(NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n(C)n1 ZINC001268367029 1187467802 /nfs/dbraw/zinc/46/78/02/1187467802.db2.gz ROCDROGKNWQTHL-NWANDNLSSA-N 2 0 364.494 0.492 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)Nc2cc(C)on2)CC[N@@H+]1C ZINC001482101790 1187617008 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/nfs/dbraw/zinc/75/82/11/1190758211.db2.gz PIRVPHLIXGHBNP-ZIFCJYIRSA-N 2 0 366.550 0.923 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001271965227 1190787744 /nfs/dbraw/zinc/78/77/44/1190787744.db2.gz JRPHMFYDRHFCBH-SUMDDJOVSA-N 2 0 363.506 0.246 10 0 FCAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001719919044 1191212727 /nfs/dbraw/zinc/21/27/27/1191212727.db2.gz IYQJROCUAVGORE-VQHPVUNQSA-N 2 0 350.507 0.918 10 0 FCAERP Cn1ncnc1CNC/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483060743 1193851820 /nfs/dbraw/zinc/85/18/20/1193851820.db2.gz AGKPIFGOZAESIV-IBQUMJASSA-N 2 0 368.485 0.923 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551849383 1193873915 /nfs/dbraw/zinc/87/39/15/1193873915.db2.gz WPXRUCPOBQHJNN-MRXNPFEDSA-N 2 0 368.522 0.593 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000552939755 1193959469 /nfs/dbraw/zinc/95/94/69/1193959469.db2.gz WPYYLWBNXCXOOX-HZPDHXFCSA-N 2 0 368.522 0.450 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000552934651 1193961437 /nfs/dbraw/zinc/96/14/37/1193961437.db2.gz JCZLIJZMUMWPMQ-SJORKVTESA-N 2 0 368.522 0.546 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000553238949 1193980354 /nfs/dbraw/zinc/98/03/54/1193980354.db2.gz PKVQTFFDAFLEFX-MOPGFXCFSA-N 2 0 360.502 0.548 10 0 FCAERP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000898623375 1194053892 /nfs/dbraw/zinc/05/38/92/1194053892.db2.gz NVFRMLAUVFNBRG-SUMCQTLJSA-N 2 0 364.534 0.593 10 0 FCAERP C[C@@H]1[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000912724763 1196362345 /nfs/dbraw/zinc/36/23/45/1196362345.db2.gz RBMAUEIPHUQZKY-HZPDHXFCSA-N 2 0 360.502 0.626 10 0 FCAERP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)n1NC(N)=O ZINC000913436288 1196431386 /nfs/dbraw/zinc/43/13/86/1196431386.db2.gz GYMYEOSTVDRZGL-HUUCEWRRSA-N 2 0 364.494 0.539 10 0 FCAERP COC(=O)[C@@H]1C[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H]1c1ccccc1 ZINC000592995671 1196601964 /nfs/dbraw/zinc/60/19/64/1196601964.db2.gz DNAUHGPFATYKGX-BBWFWOEESA-N 2 0 373.453 0.564 10 0 FCAERP Cn1cc(C2=NC[C@@H](C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)O2)cn1 ZINC000929419116 1196883070 /nfs/dbraw/zinc/88/30/70/1196883070.db2.gz UIXCULCKTDNBKZ-SFHVURJKSA-N 2 0 361.490 1.000 10 0 FCAERP CCOC(=O)[C@H]1CCCN(CC(=O)N2CC[NH+](CCCCCO)CC2)C1 ZINC000913688826 1197112123 /nfs/dbraw/zinc/11/21/23/1197112123.db2.gz NHYMEQQPXOHPHD-KRWDZBQOSA-N 2 0 369.506 0.568 10 0 FCAERP C[NH+]1CCN(c2cccc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2)CC1 ZINC000767175307 1199113568 /nfs/dbraw/zinc/11/35/68/1199113568.db2.gz XLCRPAVTODAGCA-JKSUJKDBSA-N 2 0 359.474 0.426 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787117640 1200864148 /nfs/dbraw/zinc/86/41/48/1200864148.db2.gz RSVWXCXSMZMOMJ-NVXWUHKLSA-N 2 0 368.522 0.593 10 0 FCAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000810864336 1202954301 /nfs/dbraw/zinc/95/43/01/1202954301.db2.gz PQVGIFZQKWDGRQ-IBGZPJMESA-N 2 0 371.497 0.885 10 0 FCAERP [NH3+]CCNC(=O)c1ccccc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000818582792 1203140644 /nfs/dbraw/zinc/14/06/44/1203140644.db2.gz XUMZAWIIDNVDCW-LBPRGKRZSA-N 2 0 357.418 0.143 10 0 FCAERP [NH3+]CCNC(=O)c1ccccc1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000818582791 1203140721 /nfs/dbraw/zinc/14/07/21/1203140721.db2.gz XUMZAWIIDNVDCW-GFCCVEGCSA-N 2 0 357.418 0.143 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000818981900 1203146663 /nfs/dbraw/zinc/14/66/63/1203146663.db2.gz YKMHXDIQNPBZFQ-IAGOWNOFSA-N 2 0 370.538 0.974 10 0 FCAERP CN(C[C@@H](O)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000819053615 1203148895 /nfs/dbraw/zinc/14/88/95/1203148895.db2.gz KAVJCYHCTRYRRI-RDJZCZTQSA-N 2 0 370.538 0.972 10 0 FCAERP Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000819110716 1203150805 /nfs/dbraw/zinc/15/08/05/1203150805.db2.gz HHHMYRSWRTULLL-OALUTQOASA-N 2 0 360.502 0.688 10 0 FCAERP Cc1ccc(C2=NO[C@H](C[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)cc1C ZINC000819296575 1203153526 /nfs/dbraw/zinc/15/35/26/1203153526.db2.gz ZPWOOGYEKZXWFV-OALUTQOASA-N 2 0 360.502 0.994 10 0 FCAERP C[NH+](C)CCN1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1=O ZINC000844381454 1204402716 /nfs/dbraw/zinc/40/27/16/1204402716.db2.gz LYZTYEKCTDJRNC-UHFFFAOYSA-N 2 0 374.441 0.310 10 0 FCAERP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846666752 1204650365 /nfs/dbraw/zinc/65/03/65/1204650365.db2.gz SBMXUGCZIADPJU-LIRRHRJNSA-N 2 0 359.426 0.770 10 0 FCAERP CCO[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867368075 1208434400 /nfs/dbraw/zinc/43/44/00/1208434400.db2.gz XYQGFCZKWATCDY-BRWVUGGUSA-N 2 0 368.522 0.212 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H](O)Cn3cccn3)C2)CC[N@@H+]1C ZINC001488831991 1208555963 /nfs/dbraw/zinc/55/59/63/1208555963.db2.gz ZFVNURHYMIAEAN-KFGODFMUSA-N 2 0 363.506 0.459 10 0 FCAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001488901643 1208562060 /nfs/dbraw/zinc/56/20/60/1208562060.db2.gz BBIAWCBSSJYNFX-ZNMIVQPWSA-N 2 0 360.462 0.384 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001488912646 1208565974 /nfs/dbraw/zinc/56/59/74/1208565974.db2.gz VXCCGDTZRLAEKX-QKPAOTATSA-N 2 0 359.536 0.636 10 0 FCAERP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+][C@H](C)C(=O)N(C)C ZINC001489011722 1208606455 /nfs/dbraw/zinc/60/64/55/1208606455.db2.gz YJKMHSYBMYLDBQ-BFYDXBDKSA-N 2 0 368.522 0.401 10 0 FCAERP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001489193352 1208656039 /nfs/dbraw/zinc/65/60/39/1208656039.db2.gz KPCVRTHEWDJANB-WCXIOVBPSA-N 2 0 350.507 0.633 10 0 FCAERP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001489206149 1208670473 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/nfs/dbraw/zinc/30/78/53/1209307853.db2.gz AKCHNQGFEYUXNQ-BZUAXINKSA-N 2 0 361.490 0.658 10 0 FCAERP C[NH+](C)CC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)CC1 ZINC001490661826 1209406785 /nfs/dbraw/zinc/40/67/85/1209406785.db2.gz ARCPTZSALPMDQU-PMPSAXMXSA-N 2 0 360.502 0.672 10 0 FCAERP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)C1 ZINC000852863861 1209569390 /nfs/dbraw/zinc/56/93/90/1209569390.db2.gz JRKMAPKLRCOVJS-UKRRQHHQSA-N 2 0 359.430 0.426 10 0 FCAERP [NH3+]C[C@H]1CC(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)=NO1 ZINC000852872145 1209570524 /nfs/dbraw/zinc/57/05/24/1209570524.db2.gz BQVGIVVQPHSUMB-GOSISDBHSA-N 2 0 373.501 0.804 10 0 FCAERP C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000852872077 1209570680 /nfs/dbraw/zinc/57/06/80/1209570680.db2.gz AUOHKOMTEFUQPU-GXTWGEPZSA-N 2 0 363.437 0.858 10 0 FCAERP CN1CC[N@H+](CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000852872587 1209571351 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MOVPZDPSZLNCEN-RDGPPVDQSA-N 2 0 374.485 0.174 10 0 FCAERP CN(C(=O)C(F)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000865718266 1209983357 /nfs/dbraw/zinc/98/33/57/1209983357.db2.gz XCRGTRKSCGHLRF-HZPDHXFCSA-N 2 0 366.481 0.715 10 0 FCAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CCOCCOc2ccccc2)C1 ZINC000866708425 1210003009 /nfs/dbraw/zinc/00/30/09/1210003009.db2.gz FBQOAZYYLRLUDF-BPQIPLTHSA-N 2 0 361.442 0.949 10 0 FCAERP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000868229605 1210045068 /nfs/dbraw/zinc/04/50/68/1210045068.db2.gz PZFHUQFNIFOVEE-LTIDMASMSA-N 2 0 358.442 0.419 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868236625 1210045899 /nfs/dbraw/zinc/04/58/99/1210045899.db2.gz MBBSHIRYTSJWRT-DLBZAZTESA-N 3 0 361.490 0.392 10 0 FCAERP COCCN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000868261889 1210048303 /nfs/dbraw/zinc/04/83/03/1210048303.db2.gz WMHHXNKPNOOKKG-UHFFFAOYSA-N 2 0 362.474 0.901 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCN3)C[C@H]1C[NH+](C)C ZINC000868263765 1210048316 /nfs/dbraw/zinc/04/83/16/1210048316.db2.gz VEJNCJGPRAZCFV-HZPDHXFCSA-N 2 0 373.501 0.791 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)CC[C@@H]21 ZINC000868309220 1210050982 /nfs/dbraw/zinc/05/09/82/1210050982.db2.gz HAQWODOALXSGQA-ZBFHGGJFSA-N 2 0 358.442 0.660 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)CC[C@@H]21 ZINC000868410502 1210062879 /nfs/dbraw/zinc/06/28/79/1210062879.db2.gz NCGMYKSRJILHDN-FJIDUMEYSA-N 2 0 362.518 0.777 10 0 FCAERP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)CC2)c1 ZINC000868416820 1210063996 /nfs/dbraw/zinc/06/39/96/1210063996.db2.gz BQHLRBBRYFBLHJ-CVEARBPZSA-N 2 0 373.457 0.092 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)CC[C@@H]21 ZINC000868644918 1210070848 /nfs/dbraw/zinc/07/08/48/1210070848.db2.gz NHSCIUFJYHWWRK-IRXDYDNUSA-N 2 0 365.522 0.714 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CNC(=O)c3ccccc32)C[C@H]1C[NH+](C)C ZINC000870016630 1210099676 /nfs/dbraw/zinc/09/96/76/1210099676.db2.gz RJSWIDXIJUWYDQ-RKVPGOIHSA-N 2 0 358.486 0.711 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)Cn2c3ccccc3[nH]c2=O)C[C@H]1C[NH+](C)C ZINC000870023068 1210099996 /nfs/dbraw/zinc/09/99/96/1210099996.db2.gz KLILDGDNLIDJJA-HUUCEWRRSA-N 2 0 359.474 0.940 10 0 FCAERP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872254531 1210182340 /nfs/dbraw/zinc/18/23/40/1210182340.db2.gz GSPWNYTWHXGIIJ-IXDOHACOSA-N 2 0 358.442 0.778 10 0 FCAERP C[C@@H](CC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[C@H]1CCC[NH2+]C1 ZINC000872264427 1210184784 /nfs/dbraw/zinc/18/47/84/1210184784.db2.gz QJTUSYTUFISMFX-DIECFANBSA-N 2 0 364.490 0.796 10 0 FCAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000872306790 1210189536 /nfs/dbraw/zinc/18/95/36/1210189536.db2.gz WPFQKQNZTPAHHN-XTDOFWJNSA-N 2 0 358.490 0.653 10 0 FCAERP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872308263 1210190178 /nfs/dbraw/zinc/19/01/78/1210190178.db2.gz UVDHEEHZNYJPBV-HZMVEIRTSA-N 2 0 356.426 0.094 10 0 FCAERP CCn1ccc(C[NH2+]CC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCOCC2)n1 ZINC001273975441 1210678188 /nfs/dbraw/zinc/67/81/88/1210678188.db2.gz SNTDKZOTHGVMNV-NVXWUHKLSA-N 2 0 363.506 0.998 10 0 FCAERP O=C1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CN1CCN1CCOCC1 ZINC000925572364 1211502597 /nfs/dbraw/zinc/50/25/97/1211502597.db2.gz PPAXCTTVXUQMLJ-OTWHNJEPSA-N 2 0 364.534 0.677 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CCC1(C)C ZINC000926390970 1211544750 /nfs/dbraw/zinc/54/47/50/1211544750.db2.gz NQKXGLIQRYGWBC-HNNXBMFYSA-N 2 0 366.506 0.286 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC[C@@H]1C[NH3+] ZINC000926396443 1211545277 /nfs/dbraw/zinc/54/52/77/1211545277.db2.gz GCOLCVGFLFWSBR-OWCLPIDISA-N 2 0 359.474 0.562 10 0 FCAERP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926396437 1211545390 /nfs/dbraw/zinc/54/53/90/1211545390.db2.gz GCOLCVGFLFWSBR-BZUAXINKSA-N 2 0 359.474 0.562 10 0 FCAERP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)cc2)CC1 ZINC000927855415 1211586069 /nfs/dbraw/zinc/58/60/69/1211586069.db2.gz RPWJVCSPNUVUIT-QGZVFWFLSA-N 2 0 373.501 0.963 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2cncc(C(=O)N[C@@H]3CC[NH+](C)[C@H]3C)c2)CC[N@@H+]1C ZINC000928433609 1211602211 /nfs/dbraw/zinc/60/22/11/1211602211.db2.gz MVOUNWFXEWJWCJ-DLTLXFJOSA-N 2 0 359.474 0.726 10 0 FCAERP C[C@@H]1[C@H](NC(=O)Cc2[nH]ccc2C(=O)N[C@H]2CC[NH+](C)[C@H]2C)CC[N@@H+]1C ZINC000928429504 1211602234 /nfs/dbraw/zinc/60/22/34/1211602234.db2.gz WVXGTBNXAJUGBV-CLWVCHIJSA-N 2 0 361.490 0.588 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CCCC1 ZINC000929161626 1211619544 /nfs/dbraw/zinc/61/95/44/1211619544.db2.gz CGGBKBPUWQEHMS-JKSUJKDBSA-N 2 0 366.506 0.035 10 0 FCAERP C[NH+](C)C(C)(C)CNC(=O)Cc1n[nH]cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000929349611 1211631801 /nfs/dbraw/zinc/63/18/01/1211631801.db2.gz CDCLPBNQQGXTMN-UHFFFAOYSA-N 2 0 366.510 0.479 10 0 FCAERP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000929647104 1211653488 /nfs/dbraw/zinc/65/34/88/1211653488.db2.gz XRBCRGVFSVUIKP-KRWDZBQOSA-N 2 0 366.506 0.204 10 0 FCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000929954187 1211675098 /nfs/dbraw/zinc/67/50/98/1211675098.db2.gz FVZPEUVBVFKDGI-IRXDYDNUSA-N 2 0 366.506 0.347 10 0 FCAERP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000930073355 1211685974 /nfs/dbraw/zinc/68/59/74/1211685974.db2.gz ZLKKVDFSNOBGPO-GOSISDBHSA-N 2 0 367.534 0.967 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C[N@@H+]1C1CC1 ZINC000930478666 1211708932 /nfs/dbraw/zinc/70/89/32/1211708932.db2.gz GNJJNQBTALPIDU-UWWQBHOKSA-N 2 0 373.501 0.932 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C[N@@H+]1C1CC1 ZINC000930482247 1211709146 /nfs/dbraw/zinc/70/91/46/1211709146.db2.gz YYXHUABTFYTNHW-KEYYUXOJSA-N 2 0 364.490 0.097 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H](C(N)=O)[C@H]2C)C1 ZINC000930916220 1211728343 /nfs/dbraw/zinc/72/83/43/1211728343.db2.gz OIBGTUQLPCIWJV-VQHPVUNQSA-N 2 0 368.522 0.434 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000930932257 1211728947 /nfs/dbraw/zinc/72/89/47/1211728947.db2.gz FPKPACAXLOZQJK-QGZVFWFLSA-N 2 0 368.522 0.450 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)C[NH+](C)C ZINC000931061623 1211737691 /nfs/dbraw/zinc/73/76/91/1211737691.db2.gz JKLQJLKZPYKBNZ-IAGOWNOFSA-N 2 0 368.522 0.593 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)C[NH+](C)C ZINC000931061625 1211738034 /nfs/dbraw/zinc/73/80/34/1211738034.db2.gz JKLQJLKZPYKBNZ-SJORKVTESA-N 2 0 368.522 0.593 10 0 FCAERP C[NH+]1C[C@@]2(C)CN(C[C@@H](O)CN3C(=O)c4ccccc4C3=O)C[C@]2(C)C1 ZINC000931314894 1211750722 /nfs/dbraw/zinc/75/07/22/1211750722.db2.gz ROLRHPGSRHUNME-UAOJZALGSA-N 2 0 357.454 0.917 10 0 FCAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CN(CC)CCO1 ZINC001490843030 1211959427 /nfs/dbraw/zinc/95/94/27/1211959427.db2.gz XHVHNLXYRUEIGY-WCXIOVBPSA-N 2 0 366.506 0.297 10 0 FCAERP [NH3+]C[C@H](NC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2)C1CC1 ZINC000578489114 1211973430 /nfs/dbraw/zinc/97/34/30/1211973430.db2.gz GCUKQKNRCKBCCN-KSZLIROESA-N 2 0 371.485 0.622 10 0 FCAERP CC(C)N1CCO[C@H](C(=[NH2+])NOCC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000779651688 1212806048 /nfs/dbraw/zinc/80/60/48/1212806048.db2.gz JPYNUPWQCJOGLC-INIZCTEOSA-N 2 0 367.494 0.337 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC000900480574 1217995509 /nfs/dbraw/zinc/99/55/09/1217995509.db2.gz IDKWLXPMFZGAJT-USXIJHARSA-N 2 0 364.494 0.462 10 0 FCAERP C[NH+]1CCN(C[C@@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000900543232 1218003657 /nfs/dbraw/zinc/00/36/57/1218003657.db2.gz MPVZESPBFCMAJJ-CTNGQTDRSA-N 2 0 374.529 0.938 10 0 FCAERP C[NH+]1CCC[C@@H](NC(=O)c2cnc(C(=O)N[C@H]3CCC[N@@H+](C)C3)cn2)C1 ZINC000900589402 1218010061 /nfs/dbraw/zinc/01/00/61/1218010061.db2.gz KDUOKLUCTJIOLU-OKILXGFUSA-N 2 0 360.462 0.125 10 0 FCAERP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)cc1 ZINC000900598943 1218010393 /nfs/dbraw/zinc/01/03/93/1218010393.db2.gz AYECXHZBJNJIOT-LPHOPBHVSA-N 2 0 362.474 0.049 10 0 FCAERP O=C(NC[C@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C12CC[NH+](CC1)C2 ZINC000900662262 1218020796 /nfs/dbraw/zinc/02/07/96/1218020796.db2.gz KVQJPILISVTORF-IRXDYDNUSA-N 2 0 374.529 0.969 10 0 FCAERP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000900703729 1218027818 /nfs/dbraw/zinc/02/78/18/1218027818.db2.gz OJUVGUJYDWQWCO-AZUAARDMSA-N 2 0 361.486 0.715 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@H]1CC[NH3+] ZINC000903750874 1218515399 /nfs/dbraw/zinc/51/53/99/1218515399.db2.gz WAUCPQAMQKORRL-BZUAXINKSA-N 2 0 366.506 0.141 10 0 FCAERP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)N1CC[C@@H](C2CC2)C1 ZINC000903754873 1218516485 /nfs/dbraw/zinc/51/64/85/1218516485.db2.gz TXOLVPLXRLBRIO-NXHRZFHOSA-N 2 0 360.502 0.672 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH2+]C)C1 ZINC000903786280 1218525658 /nfs/dbraw/zinc/52/56/58/1218525658.db2.gz XMMASIQVQJBPTE-DLBZAZTESA-N 2 0 368.522 0.546 10 0 FCAERP CCCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001491019249 1220071587 /nfs/dbraw/zinc/07/15/87/1220071587.db2.gz XITIJLDRTHPTJV-APIJFGDWSA-N 2 0 367.494 0.189 10 0 FCAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1nnnn1CC(F)(F)F ZINC001491457446 1220139950 /nfs/dbraw/zinc/13/99/50/1220139950.db2.gz RDPAIKJOKRNMNW-GMTAPVOTSA-N 2 0 363.388 0.170 10 0 FCAERP CN1CC[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)[C@H]1c1ccc(F)cc1 ZINC001117125503 1221474123 /nfs/dbraw/zinc/47/41/23/1221474123.db2.gz CIHKMCVJYHFRJW-DLBZAZTESA-N 2 0 362.449 0.898 10 0 FCAERP CN1CC[C@@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)[C@@H]1c1ccc(F)cc1 ZINC001117125507 1221474185 /nfs/dbraw/zinc/47/41/85/1221474185.db2.gz CIHKMCVJYHFRJW-SJORKVTESA-N 2 0 362.449 0.898 10 0 FCAERP C[C@H]1C[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001117175882 1221489806 /nfs/dbraw/zinc/48/98/06/1221489806.db2.gz ZIAXFGHBETVMCD-HOTGVXAUSA-N 2 0 359.474 0.482 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC[C@H](C)Cn1ccnc1C ZINC001118265646 1221747065 /nfs/dbraw/zinc/74/70/65/1221747065.db2.gz UXNDJOJBRANMOS-AWEZNQCLSA-N 2 0 357.458 0.980 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC(c3nnc4n3CCNC4)CC2)C1 ZINC001118390816 1221772953 /nfs/dbraw/zinc/77/29/53/1221772953.db2.gz YFCKXTGNDDYKBY-OTVXOJSOSA-N 2 0 361.494 0.611 10 0 FCAERP CC[C@]1(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[NH2+]C1 ZINC001118514422 1221792901 /nfs/dbraw/zinc/79/29/01/1221792901.db2.gz YYUFSOPBBBKPHW-KXBFYZLASA-N 2 0 360.506 0.915 10 0 FCAERP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001118841774 1221835051 /nfs/dbraw/zinc/83/50/51/1221835051.db2.gz QNEFJDGWURZOMB-MRXNPFEDSA-N 2 0 366.506 0.110 10 0 FCAERP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001123793989 1222358191 /nfs/dbraw/zinc/35/81/91/1222358191.db2.gz HGXVLGMJKSSZHG-MLHJIOFPSA-N 3 0 368.570 0.002 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000842266127 1222845301 /nfs/dbraw/zinc/84/53/01/1222845301.db2.gz SDFHZOHKBVFDPH-AEFFLSMTSA-N 2 0 360.502 0.734 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C2CN(CCCNC(=O)C(F)(F)F)C2)CC[N@@H+]1C ZINC001671133390 1223003812 /nfs/dbraw/zinc/00/38/12/1223003812.db2.gz QHTCYXPRTVKBLR-DGCLKSJQSA-N 2 0 364.412 0.538 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000818995461 1245316652 /nfs/dbraw/zinc/31/66/52/1245316652.db2.gz URVLGNCFSNREND-IAGOWNOFSA-N 2 0 370.538 0.831 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)CC1 ZINC000819293121 1245316953 /nfs/dbraw/zinc/31/69/53/1245316953.db2.gz OLQKULAKUPEOOB-MSOLQXFVSA-N 2 0 374.485 0.312 10 0 FCAERP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848931736 1245386196 /nfs/dbraw/zinc/38/61/96/1245386196.db2.gz GXVGHTXUPCINRM-VVLHAWIVSA-N 2 0 368.522 0.591 10 0 FCAERP CC[NH+](CC)CCOCCNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849571571 1245402050 /nfs/dbraw/zinc/40/20/50/1245402050.db2.gz HHWALSVIQYGKNE-QZTJIDSGSA-N 2 0 365.522 0.930 10 0 FCAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000870999747 1245432442 /nfs/dbraw/zinc/43/24/42/1245432442.db2.gz CWIZSILXHITTEC-BBWFWOEESA-N 2 0 358.442 0.755 10 0 FCAERP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000918477419 1245578753 /nfs/dbraw/zinc/57/87/53/1245578753.db2.gz FXJQGGSIZMEZFV-OAHLLOKOSA-N 2 0 359.474 0.587 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000923199774 1245701395 /nfs/dbraw/zinc/70/13/95/1245701395.db2.gz WKFXVAFENNBXIS-WMZOPIPTSA-N 2 0 369.554 0.811 10 0 FCAERP Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416281 1245717320 /nfs/dbraw/zinc/71/73/20/1245717320.db2.gz VANGQDWGJKIOLX-LHHMISFZSA-N 2 0 361.442 0.602 10 0 FCAERP C[C@@H](NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)C(=O)N1CCCCC1 ZINC000923450309 1245720145 /nfs/dbraw/zinc/72/01/45/1245720145.db2.gz VBAXEMOAEAUAIM-CVEARBPZSA-N 2 0 366.506 0.333 10 0 FCAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC(=O)NC[C@H]1Cc3ccccc3O1)CC2 ZINC000923448939 1245720600 /nfs/dbraw/zinc/72/06/00/1245720600.db2.gz INWRLVADNWBTKX-SJORKVTESA-N 2 0 359.470 0.936 10 0 FCAERP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCNCC[NH2+]CC1 ZINC000923462564 1245722482 /nfs/dbraw/zinc/72/24/82/1245722482.db2.gz KZUQVXJIKUMLMW-SFHVURJKSA-N 2 0 373.545 0.651 10 0 FCAERP Cn1cnc(CCNC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1 ZINC001327812766 1265433865 /nfs/dbraw/zinc/43/38/65/1265433865.db2.gz OBMJRLVIZBMNMC-MRXNPFEDSA-N 2 0 357.414 0.378 10 0 FCAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001515150013 1265446462 /nfs/dbraw/zinc/44/64/62/1265446462.db2.gz JQFZLFKMTXYMAV-UAGQMJEPSA-N 2 0 350.507 0.681 10 0 FCAERP CC1[C@H](C(=O)NCC[NH+]2CC[C@H](C)C2)[C@H]1C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC001328477844 1265557866 /nfs/dbraw/zinc/55/78/66/1265557866.db2.gz VGFJPAGNCQUIOU-LAQRGFTBSA-N 2 0 364.534 0.785 10 0 FCAERP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001328606516 1265586310 /nfs/dbraw/zinc/58/63/10/1265586310.db2.gz LAKIIEKNKGPKNH-AWEZNQCLSA-N 2 0 371.445 0.615 10 0 FCAERP CCC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC001328781565 1265611979 /nfs/dbraw/zinc/61/19/79/1265611979.db2.gz VAGUCDMMFZOHHV-KRWDZBQOSA-N 2 0 368.522 0.546 10 0 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C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC001261476093 1260144868 /nfs/dbraw/zinc/14/48/68/1260144868.db2.gz KTXONOHMMLQNKC-QZTJIDSGSA-N 2 0 360.502 0.858 10 0 FCAERP CO[C@@]1(C)CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001332037064 1266320439 /nfs/dbraw/zinc/32/04/39/1266320439.db2.gz OTPHMNBCHHPYJC-MDZRGWNJSA-N 2 0 368.522 0.212 10 0 FCAERP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001264004768 1260361824 /nfs/dbraw/zinc/36/18/24/1260361824.db2.gz DPMNPIDYDGEBJV-ZACQAIPSSA-N 2 0 365.522 0.570 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NCC4CC4)CC[C@@H]3C2)C1 ZINC001264651450 1260392986 /nfs/dbraw/zinc/39/29/86/1260392986.db2.gz CXTZZKSTHMGGEO-NXHRZFHOSA-N 2 0 362.518 0.635 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001273261056 1260640133 /nfs/dbraw/zinc/64/01/33/1260640133.db2.gz PFPVALLQYBHUBG-YESZJQIVSA-N 2 0 366.506 0.060 10 0 FCAERP 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C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001289679337 1262303046 /nfs/dbraw/zinc/30/30/46/1262303046.db2.gz NPGKJMUNPXXVCD-SJORKVTESA-N 2 0 362.474 0.001 10 0 FCAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001290540158 1262467772 /nfs/dbraw/zinc/46/77/72/1262467772.db2.gz PXRRTUMHVJUYDI-KURKYZTESA-N 2 0 364.534 0.977 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CCOCCN(C)C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001290550423 1262469014 /nfs/dbraw/zinc/46/90/14/1262469014.db2.gz RLXHOGVJVMYGAW-ZACQAIPSSA-N 2 0 368.522 0.354 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001290837293 1262517829 /nfs/dbraw/zinc/51/78/29/1262517829.db2.gz VAPILTWQNGMWFB-ABSDTBQOSA-N 2 0 364.534 0.977 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1C ZINC001298424185 1262925833 /nfs/dbraw/zinc/92/58/33/1262925833.db2.gz HKKCZLFZVCNBLG-MULDZMIYSA-N 2 0 362.518 0.991 10 0 FCAERP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001298633558 1262934549 /nfs/dbraw/zinc/93/45/49/1262934549.db2.gz CNUNTSZODCFEMI-BPLDGKMQSA-N 2 0 363.462 0.245 10 0 FCAERP CC(C)(C)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001479486508 1263218974 /nfs/dbraw/zinc/21/89/74/1263218974.db2.gz HIUCNGQXCPWDJT-LSDHHAIUSA-N 2 0 350.507 0.871 10 0 FCAERP COCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1c1cnn(C)c1 ZINC001479511603 1263235996 /nfs/dbraw/zinc/23/59/96/1263235996.db2.gz SDZZEGZELNUMNH-SCTDSRPQSA-N 2 0 361.490 0.436 10 0 FCAERP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]C[C@@H](CC)OC ZINC001479548077 1263249928 /nfs/dbraw/zinc/24/99/28/1263249928.db2.gz MUTMVOIVLYECKQ-BRWVUGGUSA-N 2 0 353.507 0.960 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCCS(C)(=O)=O)CC[C@@H]3C2)CC[N@@H+]1C ZINC001479666673 1263316703 /nfs/dbraw/zinc/31/67/03/1263316703.db2.gz CKUVSTWJAPJALF-WCXIOVBPSA-N 2 0 371.547 0.542 10 0 FCAERP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CCNC(=O)C4CC4)CC[C@@H]3C2)C1 ZINC001479672153 1263333983 /nfs/dbraw/zinc/33/39/83/1263333983.db2.gz ARZAZLQQXICGKX-NXHRZFHOSA-N 2 0 362.518 0.635 10 0 FCAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C)[NH+](CC)CC ZINC001479719087 1263387343 /nfs/dbraw/zinc/38/73/43/1263387343.db2.gz YGWVFTLBBXKFTF-OWCLPIDISA-N 2 0 353.511 0.711 10 0 FCAERP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001316667672 1263408853 /nfs/dbraw/zinc/40/88/53/1263408853.db2.gz XFWSTUSHLPLCHE-XYJFISCASA-N 2 0 363.506 0.763 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001316692454 1263423826 /nfs/dbraw/zinc/42/38/26/1263423826.db2.gz WEERYWVGGAUIKH-JFIYKMOQSA-N 2 0 368.522 0.258 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC[C@@H]3CCOC3)C2)CC[N@@H+]1C ZINC001480205337 1263426601 /nfs/dbraw/zinc/42/66/01/1263426601.db2.gz JZFADVRUMNRVDN-ZOFXXKQRSA-N 2 0 366.506 0.106 10 0 FCAERP Cc1nnc(NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001480765523 1263435506 /nfs/dbraw/zinc/43/55/06/1263435506.db2.gz MQXYNWYRSIUCTG-NQBHXWOUSA-N 2 0 368.507 0.610 10 0 FCAERP Cc1nnc(NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001480765522 1263435714 /nfs/dbraw/zinc/43/57/14/1263435714.db2.gz MQXYNWYRSIUCTG-DMDPSCGWSA-N 2 0 368.507 0.610 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001316736777 1263444180 /nfs/dbraw/zinc/44/41/80/1263444180.db2.gz PVMMRIUWQRGUQS-YESZJQIVSA-N 2 0 363.506 0.555 10 0 FCAERP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001316758680 1263463777 /nfs/dbraw/zinc/46/37/77/1263463777.db2.gz LBZTXOQFBNIABI-IKGGRYGDSA-N 2 0 368.522 0.260 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCN2CCNC2=O)CC[N@@H+]1C ZINC001485055458 1263497322 /nfs/dbraw/zinc/49/73/22/1263497322.db2.gz KHCNGDNVQLKFHO-BZUAXINKSA-N 2 0 351.495 0.275 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCc3ccccc3)C2)CC[N@@H+]1C ZINC001317109754 1263503066 /nfs/dbraw/zinc/50/30/66/1263503066.db2.gz OTNWVJHTADCCNJ-NRSFXHEJSA-N 2 0 358.486 0.880 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2(CCO)C[NH+](CCC3CCOCC3)C2)CC[N@@H+]1C ZINC001485407072 1263504101 /nfs/dbraw/zinc/50/41/01/1263504101.db2.gz JUAMNEDHWJUMHO-NVXWUHKLSA-N 2 0 353.507 0.696 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001485685057 1263513689 /nfs/dbraw/zinc/51/36/89/1263513689.db2.gz PQVALAGXMLATPQ-QBPKDAKJSA-N 2 0 350.507 0.824 10 0 FCAERP CC(C)N1CC[C@@H]([N@H+](C)CCOCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001485772310 1263515602 /nfs/dbraw/zinc/51/56/02/1263515602.db2.gz JBDMCFRJUFQQNW-BRWVUGGUSA-N 2 0 368.522 0.401 10 0 FCAERP CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001485825363 1263516280 /nfs/dbraw/zinc/51/62/80/1263516280.db2.gz AWGAUXNKKKIKKG-FGTMMUONSA-N 2 0 358.486 0.644 10 0 FCAERP Cc1noc(CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001486280677 1263528234 /nfs/dbraw/zinc/52/82/34/1263528234.db2.gz YCDWVLRCGWKOMB-BPLDGKMQSA-N 2 0 353.467 0.060 10 0 FCAERP Cc1nc(CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001486279124 1263529725 /nfs/dbraw/zinc/52/97/25/1263529725.db2.gz QUHMIRMSYLGKLI-UHOFOFEASA-N 2 0 354.520 0.743 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)Cc2ccc(CO)cc2)CC[N@@H+]1C ZINC001486338041 1263533400 /nfs/dbraw/zinc/53/34/00/1263533400.db2.gz RAEIKJCZAHRILC-AYOQOUSVSA-N 2 0 363.502 0.770 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001493207941 1263714694 /nfs/dbraw/zinc/71/46/94/1263714694.db2.gz USGDCEXYQCGSRN-HYVNUMGLSA-N 2 0 350.507 0.633 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC001493868986 1263743832 /nfs/dbraw/zinc/74/38/32/1263743832.db2.gz LCICLFRKOFIIIN-BHYGNILZSA-N 2 0 350.507 0.918 10 0 FCAERP COCC[N@H+](C[C@H](O)COC)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001499536166 1264034210 /nfs/dbraw/zinc/03/42/10/1264034210.db2.gz UMOKUCJPFLGBFV-BPQIPLTHSA-N 2 0 371.522 0.273 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001500347803 1264066297 /nfs/dbraw/zinc/06/62/97/1264066297.db2.gz MXPZDCFTUPVRLM-ZMSDIMECSA-N 2 0 359.536 0.590 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001321851457 1264080334 /nfs/dbraw/zinc/08/03/34/1264080334.db2.gz YAPPLDLDPHNMCV-ZWKOTPCHSA-N 2 0 360.502 0.686 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001321957456 1264110477 /nfs/dbraw/zinc/11/04/77/1264110477.db2.gz DIGASOYDEXDGSJ-MOPGFXCFSA-N 2 0 372.513 0.972 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCOCCO)C[C@H]32)CC[N@@H+]1C ZINC001501417560 1264120705 /nfs/dbraw/zinc/12/07/05/1264120705.db2.gz FEDJJQCPYFXOEL-WNRNVDISSA-N 2 0 353.507 0.648 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC001506125257 1264295294 /nfs/dbraw/zinc/29/52/94/1264295294.db2.gz CWXGLCKQGDLIDX-OWCLPIDISA-N 2 0 350.507 0.966 10 0 FCAERP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1)C(=O)NC(N)=O ZINC001506504255 1264324930 /nfs/dbraw/zinc/32/49/30/1264324930.db2.gz CEKQGFIWQLVDBQ-BFHYXJOUSA-N 2 0 367.494 0.319 10 0 FCAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001506985358 1264348100 /nfs/dbraw/zinc/34/81/00/1264348100.db2.gz DKZFILXVPSOHJV-MGPQQGTHSA-N 2 0 352.483 0.069 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC(=O)NC)C(C)(C)C)CC[N@@H+]1C ZINC001507948951 1264389911 /nfs/dbraw/zinc/38/99/11/1264389911.db2.gz PFZZTNQAMLPMPZ-MJBXVCDLSA-N 2 0 369.510 0.293 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001509673027 1264463322 /nfs/dbraw/zinc/46/33/22/1264463322.db2.gz NBVMILMYIKRWIM-HHARLNAUSA-N 2 0 350.507 0.487 10 0 FCAERP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001513226670 1264974320 /nfs/dbraw/zinc/97/43/20/1264974320.db2.gz CDFUWQFGOFHPNE-HUUCEWRRSA-N 2 0 350.507 0.776 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCOC[C@@H]4CCCO4)C[C@@H]3C2)CC[N@@H+]1C ZINC001325740253 1264983072 /nfs/dbraw/zinc/98/30/72/1264983072.db2.gz FMWWPWCUFGJBAY-ZSXDVEMLSA-N 2 0 365.518 0.912 10 0 FCAERP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001326017949 1265045220 /nfs/dbraw/zinc/04/52/20/1265045220.db2.gz KEZAFGCAFWMVSU-GOEBONIOSA-N 2 0 362.478 0.433 10 0 FCAERP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1OC)[NH+](CC)CC ZINC001513426782 1265117048 /nfs/dbraw/zinc/11/70/48/1265117048.db2.gz PHAWOIQLCKLMHW-IXDOHACOSA-N 2 0 368.522 0.545 10 0 FCAERP C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001514018742 1265315839 /nfs/dbraw/zinc/31/58/39/1265315839.db2.gz LTMXRMKRUKHTCM-IAGOWNOFSA-N 2 0 350.507 0.873 10 0 FCAERP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001514420789 1265351228 /nfs/dbraw/zinc/35/12/28/1265351228.db2.gz WOYNHVXAJPHLRJ-IAGOWNOFSA-N 2 0 368.522 0.450 10 0 FCAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001514436872 1265353009 /nfs/dbraw/zinc/35/30/09/1265353009.db2.gz DGLALZHMOJDJIQ-MDZRGWNJSA-N 2 0 350.507 0.968 10 0 FCAERP CCCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001327563525 1265359333 /nfs/dbraw/zinc/35/93/33/1265359333.db2.gz MBIWPASCIIWEQQ-FRQCXROJSA-N 2 0 368.522 0.186 10 0 FCAERP CC(=O)N1CCC(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC001333218422 1266557624 /nfs/dbraw/zinc/55/76/24/1266557624.db2.gz JGOPIJCEVJEZRV-HDICACEKSA-N 2 0 363.506 0.608 10 0 FCAERP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C[N@@H+]1C1CC1 ZINC001527518426 1266903692 /nfs/dbraw/zinc/90/36/92/1266903692.db2.gz VBTZAZGLQHHZBL-YQYZPQCESA-N 2 0 352.479 0.137 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@]23C[C@@H]2CCCC3)C[C@H]1C[NH+](C)C ZINC001334413781 1266988642 /nfs/dbraw/zinc/98/86/42/1266988642.db2.gz FGRABCCLRABQJK-PDOICOKGSA-N 2 0 364.534 0.881 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@]34CC[NH+](C3)CCC4)CC2)CC[N@@H+]1C ZINC001535696400 1267307258 /nfs/dbraw/zinc/30/72/58/1267307258.db2.gz ULGURILXLZOFAB-FCEWJHQRSA-N 2 0 362.518 0.968 10 0 FCAERP CC(C)[NH+]1CCN(C2CCN(C(=O)NCC3([NH3+])CCOCC3)CC2)CC1 ZINC001335201852 1267401638 /nfs/dbraw/zinc/40/16/38/1267401638.db2.gz KAARYQNEICNHJE-UHFFFAOYSA-N 2 0 367.538 0.694 10 0 FCAERP CCOC(=O)C[C@H](O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001544376712 1267578565 /nfs/dbraw/zinc/57/85/65/1267578565.db2.gz YFXHJSCQFVPINR-INIZCTEOSA-N 2 0 364.446 0.024 10 0 FCAERP C[NH+](C)CCOc1cc(CNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)ccn1 ZINC001547450046 1267671142 /nfs/dbraw/zinc/67/11/42/1267671142.db2.gz JNQKTNCOPAAYJI-HZPDHXFCSA-N 2 0 350.463 0.483 10 0 FCAERP C[NH+](C)C1(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCCC1 ZINC001557024317 1268919358 /nfs/dbraw/zinc/91/93/58/1268919358.db2.gz RAZCEMZRESFGNE-UHFFFAOYSA-N 2 0 352.523 0.774 10 0 FCAERP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O)[NH+]1CCCCC1 ZINC001341506597 1269040097 /nfs/dbraw/zinc/04/00/97/1269040097.db2.gz OMIJNGGSPBGTNO-NUJGCVRESA-N 2 0 368.522 0.137 10 0 FCAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001565918453 1269517490 /nfs/dbraw/zinc/51/74/90/1269517490.db2.gz LRIHQRAKYKIYSF-IXDOHACOSA-N 2 0 371.547 0.782 10 0 FCAERP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001342612491 1269536745 /nfs/dbraw/zinc/53/67/45/1269536745.db2.gz DONROVDZXVFRDD-BRWVUGGUSA-N 2 0 368.522 0.260 10 0 FCAERP CC(=O)NCCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001566938607 1269667685 /nfs/dbraw/zinc/66/76/85/1269667685.db2.gz UZHIAPXDSRKPJT-KBAYOESNSA-N 2 0 368.522 0.450 10 0 FCAERP Cc1csc(NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001567016529 1269673839 /nfs/dbraw/zinc/67/38/39/1269673839.db2.gz HNQQGEXUBXGCPU-CYZMBNFOSA-N 2 0 353.492 0.825 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001567016416 1269674270 /nfs/dbraw/zinc/67/42/70/1269674270.db2.gz GSPUSTCECYZUAE-CWRNSKLLSA-N 2 0 359.536 0.636 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC(=O)NC2CC2)CC[N@@H+]1C ZINC001568386177 1269729752 /nfs/dbraw/zinc/72/97/52/1269729752.db2.gz WJWLVBMGEGNJJT-DJIMGWMZSA-N 2 0 350.507 0.966 10 0 FCAERP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H]1OC ZINC001343014387 1269731718 /nfs/dbraw/zinc/73/17/18/1269731718.db2.gz MPAUFYDSURVRGP-MWDXBVQZSA-N 2 0 368.522 0.401 10 0 FCAERP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC001568701341 1269745400 /nfs/dbraw/zinc/74/54/00/1269745400.db2.gz MTNNPKNYJRTRCJ-GGPKGHCWSA-N 2 0 361.486 0.564 10 0 FCAERP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)Nc1ncccn1 ZINC001568851795 1269750871 /nfs/dbraw/zinc/75/08/71/1269750871.db2.gz LTARNOXOLSAOPT-QVWFHYRISA-N 2 0 360.462 0.406 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CC3CCOCC3)C2)CC[N@@H+]1C ZINC001569893689 1269815579 /nfs/dbraw/zinc/81/55/79/1269815579.db2.gz IFSXBWKRVHKLAK-SUMDDJOVSA-N 2 0 353.507 0.696 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]Cc3cn(C)nn3)CCOCC2)CC[N@@H+]1C ZINC001570300923 1269868363 /nfs/dbraw/zinc/86/83/63/1269868363.db2.gz DDVYMNRFYIOQKZ-JKSUJKDBSA-N 2 0 364.494 0.300 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCOCC[NH+](C)C[C@H]2CCNC(=O)CC2)CC[N@@H+]1C ZINC001571341179 1269929263 /nfs/dbraw/zinc/92/92/63/1269929263.db2.gz RTLFYWDSJRVSCD-BRWVUGGUSA-N 2 0 368.522 0.308 10 0 FCAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NCc1cccnc1 ZINC001571388795 1269930632 /nfs/dbraw/zinc/93/06/32/1269930632.db2.gz YKBJWKMUKVTXQL-BFYDXBDKSA-N 2 0 361.490 0.475 10 0 FCAERP Cc1ncsc1CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571580334 1269938750 /nfs/dbraw/zinc/93/87/50/1269938750.db2.gz NXSBLHUTHUDMDZ-QLFBSQMISA-N 2 0 354.520 0.743 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCc2cnn(C)c2)CC[N@@H+]1C ZINC001571602012 1269943456 /nfs/dbraw/zinc/94/34/56/1269943456.db2.gz XMRFQZNGXLWUGU-FGTMMUONSA-N 2 0 365.522 0.444 10 0 FCAERP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001572789206 1270143539 /nfs/dbraw/zinc/14/35/39/1270143539.db2.gz KKAHBPDMWRZTFW-YESZJQIVSA-N 2 0 366.506 0.108 10 0 FCAERP CO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001572954981 1270400932 /nfs/dbraw/zinc/40/09/32/1270400932.db2.gz HVWYEAYNXNAJAG-HUUCEWRRSA-N 2 0 354.495 0.153 10 0 FCAERP CC[C@H](C(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1)[NH+](C)C ZINC001572955271 1270402587 /nfs/dbraw/zinc/40/25/87/1270402587.db2.gz ULSVKFZRUMAPPA-FPCVCCKLSA-N 2 0 356.511 0.255 10 0 FCAERP CO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001572960396 1270412970 /nfs/dbraw/zinc/41/29/70/1270412970.db2.gz JLWWJWHKZYKNAA-HZPDHXFCSA-N 2 0 366.506 0.297 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1O ZINC001572998309 1270476406 /nfs/dbraw/zinc/47/64/06/1270476406.db2.gz SOBSBCBUUQKANU-BBWFWOEESA-N 2 0 368.522 0.281 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001573011291 1270498225 /nfs/dbraw/zinc/49/82/25/1270498225.db2.gz HQECXSRIIJACQK-ZACQAIPSSA-N 2 0 368.522 0.137 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CCc3nccn3C)[C@@H]2C1 ZINC001573063352 1270585134 /nfs/dbraw/zinc/58/51/34/1270585134.db2.gz JZLLIEJCXJNXLT-HZPDHXFCSA-N 2 0 361.490 0.752 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001573280799 1270736863 /nfs/dbraw/zinc/73/68/63/1270736863.db2.gz BSNGXFFLEDBYIL-ARFHVFGLSA-N 2 0 350.507 0.918 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1C(=O)CCCC[NH+](C)C ZINC001573466769 1270785501 /nfs/dbraw/zinc/78/55/01/1270785501.db2.gz WUPOPBFAYYJIIM-PMPSAXMXSA-N 2 0 354.495 0.155 10 0 FCAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)[C@@H]1C ZINC001573492805 1270792597 /nfs/dbraw/zinc/79/25/97/1270792597.db2.gz FMJWWRFZBGQWIQ-IKGGRYGDSA-N 2 0 368.522 0.543 10 0 FCAERP Cc1nccn1CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001573839281 1270900705 /nfs/dbraw/zinc/90/07/05/1270900705.db2.gz IFZQCQKWFDFLMR-MUIFIZLQSA-N 2 0 361.490 0.742 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001573876079 1270917174 /nfs/dbraw/zinc/91/71/74/1270917174.db2.gz XMMFOCRJTWQONH-HZPDHXFCSA-N 2 0 350.507 0.635 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1 ZINC001574483213 1271292478 /nfs/dbraw/zinc/29/24/78/1271292478.db2.gz WCTMFWYMPDQPNR-ZACQAIPSSA-N 2 0 350.507 0.917 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC(=O)N2CCC2)C2CC2)CC[N@@H+]1C ZINC001713038019 1287260919 /nfs/dbraw/zinc/26/09/19/1287260919.db2.gz UDUPKXDJAGVNRN-DLBZAZTESA-N 2 0 350.507 0.920 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001713160435 1287268086 /nfs/dbraw/zinc/26/80/86/1287268086.db2.gz LINSSIIEPVYEIY-LUKYLMHMSA-N 2 0 350.507 0.966 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001713593616 1287286937 /nfs/dbraw/zinc/28/69/37/1287286937.db2.gz RIGMYBJEYZMGJN-FRRDWIJNSA-N 2 0 366.428 0.832 10 0 FCAERP CCOCCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713752352 1287295885 /nfs/dbraw/zinc/29/58/85/1287295885.db2.gz NJBLQQSVZAFDCU-BRWVUGGUSA-N 2 0 368.522 0.260 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001714066757 1287311135 /nfs/dbraw/zinc/31/11/35/1287311135.db2.gz MWTGIMCTKCYCDP-BRWVUGGUSA-N 2 0 366.506 0.014 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]Cc2ncnn2CCF)C2CC2)CC[N@@H+]1C ZINC001714162255 1287314331 /nfs/dbraw/zinc/31/43/31/1287314331.db2.gz CFEBSXBRFYUXGQ-SIIHOXLZSA-N 2 0 366.485 0.962 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)Nc2cc(C)on2)CC[N@@H+]1C ZINC001714234326 1287316824 /nfs/dbraw/zinc/31/68/24/1287316824.db2.gz IZPDTVHUMJQPSP-FPMFFAJLSA-N 2 0 351.451 0.746 10 0 FCAERP CC[N@H+](CCNC(=O)NC(C)(C)C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001714587899 1287327140 /nfs/dbraw/zinc/32/71/40/1287327140.db2.gz ZMELWZUUTIXKTO-HUUCEWRRSA-N 2 0 355.527 0.862 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)N2CCOCC2)C(C)C)CC[N@@H+]1C ZINC001715563461 1287354334 /nfs/dbraw/zinc/35/43/34/1287354334.db2.gz RRFDLASJKMKORD-YESZJQIVSA-N 2 0 368.522 0.306 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)Nc2cc(C)nn2C)CC[N@@H+]1C ZINC001716437285 1287379070 /nfs/dbraw/zinc/37/90/70/1287379070.db2.gz CHZCNQNTBLEAEO-SOUVJXGZSA-N 2 0 364.494 0.492 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH2+]Cc3cnns3)CC2)CC[N@@H+]1C ZINC001717015348 1287401426 /nfs/dbraw/zinc/40/14/26/1287401426.db2.gz AWUACZDTRHRSBO-CZUORRHYSA-N 2 0 366.535 0.549 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2cc(C3CC3)no2)CC[N@@H+]1C ZINC001717050596 1287405453 /nfs/dbraw/zinc/40/54/53/1287405453.db2.gz ANJBJOKFLFCDBG-CZUORRHYSA-N 2 0 350.463 0.803 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001717453064 1287422736 /nfs/dbraw/zinc/42/27/36/1287422736.db2.gz BIFQYYGOZKFIRO-HUUCEWRRSA-N 2 0 353.511 0.426 10 0 FCAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nnnn1C ZINC001717513289 1287429017 /nfs/dbraw/zinc/42/90/17/1287429017.db2.gz QRXOZONGUBPQDT-KFWWJZLASA-N 2 0 351.499 0.513 10 0 FCAERP COc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sn1 ZINC001717917062 1287442660 /nfs/dbraw/zinc/44/26/60/1287442660.db2.gz ILDAHDDNMKEDML-MBNYWOFBSA-N 2 0 356.492 0.401 10 0 FCAERP COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)C[NH+]1CCC[C@H]1C ZINC001718823860 1287585720 /nfs/dbraw/zinc/58/57/20/1287585720.db2.gz RXQULQSMLJHRFG-BRWVUGGUSA-N 2 0 368.522 0.402 10 0 FCAERP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001639547277 1282793543 /nfs/dbraw/zinc/79/35/43/1282793543.db2.gz CZDLDGQVUZCUJF-DLBZAZTESA-N 2 0 368.522 0.356 10 0 FCAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001719051040 1287623973 /nfs/dbraw/zinc/62/39/73/1287623973.db2.gz YQLJSBVZDITVKW-YESZJQIVSA-N 2 0 350.507 0.872 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001680013203 1283390419 /nfs/dbraw/zinc/39/04/19/1283390419.db2.gz SHHKTPQIMUXWNK-HRCADAONSA-N 2 0 350.507 0.776 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]21 ZINC001719061007 1287638156 /nfs/dbraw/zinc/63/81/56/1287638156.db2.gz CNKGVVZGKBWXAU-YESZJQIVSA-N 2 0 350.507 0.870 10 0 FCAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCCO1 ZINC001681657039 1283504023 /nfs/dbraw/zinc/50/40/23/1283504023.db2.gz XWMOLACGUODIDG-IXDOHACOSA-N 2 0 368.522 0.401 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)CCCO2)CC[N@@H+]1C ZINC001681656771 1283504331 /nfs/dbraw/zinc/50/43/31/1283504331.db2.gz RZKGCLNGGJNVPU-OWCLPIDISA-N 2 0 354.495 0.012 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001719072784 1287656206 /nfs/dbraw/zinc/65/62/06/1287656206.db2.gz QYQOBXIHQVJJTK-YESZJQIVSA-N 2 0 350.507 0.728 10 0 FCAERP CO[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001683244031 1283906418 /nfs/dbraw/zinc/90/64/18/1283906418.db2.gz QLIMKCPZEBAEGE-IAGOWNOFSA-N 2 0 368.522 0.401 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1O ZINC001719099464 1287724703 /nfs/dbraw/zinc/72/47/03/1287724703.db2.gz FVUOJEGDUZNXQH-IAGOWNOFSA-N 2 0 368.522 0.137 10 0 FCAERP CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)COCC[NH+](C)C)C[C@H]21)[NH+](C)C ZINC001702419069 1285661094 /nfs/dbraw/zinc/66/10/94/1285661094.db2.gz OMUVXLYFJPFHGX-JFIYKMOQSA-N 2 0 368.522 0.210 10 0 FCAERP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001702423662 1285667441 /nfs/dbraw/zinc/66/74/41/1285667441.db2.gz RHKZHFCBGYPRTH-HZPDHXFCSA-N 2 0 350.507 0.729 10 0 FCAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001702551242 1285719677 /nfs/dbraw/zinc/71/96/77/1285719677.db2.gz KXIONWHNEKOUJA-JKSUJKDBSA-N 2 0 350.507 0.825 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001702575306 1285740256 /nfs/dbraw/zinc/74/02/56/1285740256.db2.gz OBBPBWXXYDSNKK-BRWVUGGUSA-N 2 0 368.522 0.258 10 0 FCAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001702656320 1285772935 /nfs/dbraw/zinc/77/29/35/1285772935.db2.gz DFWHWGUJMXAVDO-SJORKVTESA-N 2 0 350.507 0.731 10 0 FCAERP CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001702721798 1285820673 /nfs/dbraw/zinc/82/06/73/1285820673.db2.gz JGNNUCJIROJAEH-WBVHZDCISA-N 2 0 368.522 0.545 10 0 FCAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001702762398 1285839078 /nfs/dbraw/zinc/83/90/78/1285839078.db2.gz MQLKGZJWBBAASP-GJYPPUQNSA-N 2 0 350.507 0.729 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001702769596 1285847395 /nfs/dbraw/zinc/84/73/95/1285847395.db2.gz QLJHFTOBHTUPQJ-APWZRJJASA-N 2 0 350.507 0.587 10 0 FCAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C[C@H]1C ZINC001702810362 1285902263 /nfs/dbraw/zinc/90/22/63/1285902263.db2.gz NGLIKYLQFSOLFK-BRWVUGGUSA-N 2 0 352.523 0.881 10 0 FCAERP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001702815705 1285908032 /nfs/dbraw/zinc/90/80/32/1285908032.db2.gz WMDZGQFOSABGNA-NXHRZFHOSA-N 2 0 364.534 0.881 10 0 FCAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C[NH+](C)C)CC1 ZINC001702943137 1286013744 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YDXGIRGAJSOFBM-UHFFFAOYSA-N 2 0 355.442 0.911 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](OCC)C1 ZINC001739940279 1290448287 /nfs/dbraw/zinc/44/82/87/1290448287.db2.gz LSYIXRMNGOEIFQ-IXDOHACOSA-N 2 0 368.522 0.402 10 0 FCAERP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001739959116 1290453399 /nfs/dbraw/zinc/45/33/99/1290453399.db2.gz STMWTRQFVXPSNC-IKGGRYGDSA-N 2 0 350.507 0.777 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C[NH2+]CC(=O)NC ZINC001656477993 1291529925 /nfs/dbraw/zinc/52/99/25/1291529925.db2.gz KMBGAGRJHSIUOP-BRWVUGGUSA-N 2 0 368.522 0.306 10 0 FCAERP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001656550807 1291545089 /nfs/dbraw/zinc/54/50/89/1291545089.db2.gz IRYHSMYZQNTTAB-OWCLPIDISA-N 2 0 353.511 0.569 10 0 FCAERP C[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001656566784 1291546981 /nfs/dbraw/zinc/54/69/81/1291546981.db2.gz HYHUBEYBWBKPFL-CVEARBPZSA-N 2 0 366.506 0.694 10 0 FCAERP CC[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001656584824 1291549567 /nfs/dbraw/zinc/54/95/67/1291549567.db2.gz CDMJMLGPIFQUCZ-VYDXJSESSA-N 2 0 368.522 0.578 10 0 FCAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NCc1cccnc1 ZINC001665789786 1291880506 /nfs/dbraw/zinc/88/05/06/1291880506.db2.gz ZGXZQEYYPCSLEC-DJIMGWMZSA-N 2 0 361.490 0.522 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)CC)C[C@@H]3C2)CC[N@@H+]1C ZINC001672416667 1292080615 /nfs/dbraw/zinc/08/06/15/1292080615.db2.gz NUEYAHLSFRBHLU-VVLHAWIVSA-N 2 0 350.507 0.585 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001673434051 1292108056 /nfs/dbraw/zinc/10/80/56/1292108056.db2.gz CLTZUWNBVSHCSG-DLBZAZTESA-N 2 0 368.522 0.356 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001673434471 1292108482 /nfs/dbraw/zinc/10/84/82/1292108482.db2.gz OAYZRVRFMVTKNX-JKSUJKDBSA-N 2 0 366.506 0.646 10 0 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ZINC001328489558 871459679 /nfs/dbraw/zinc/45/96/79/871459679.db2.gz CDDLKCIJSHXBII-CYBMUJFWSA-N 2 0 364.412 0.541 10 0 FCAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001346176333 871684780 /nfs/dbraw/zinc/68/47/80/871684780.db2.gz CHBOWIFGNTZXCB-IXDOHACOSA-N 2 0 352.523 0.881 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC[C@H](C)[NH2+]C)CC1 ZINC001329090543 871818048 /nfs/dbraw/zinc/81/80/48/871818048.db2.gz CJWLRCWDGACALJ-HNNXBMFYSA-N 2 0 354.495 0.204 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001346448787 871847322 /nfs/dbraw/zinc/84/73/22/871847322.db2.gz AHAWTPOHJPTWLW-ZACQAIPSSA-N 2 0 352.523 0.881 10 0 FCAERP C[C@H](NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001346607748 871931607 /nfs/dbraw/zinc/93/16/07/871931607.db2.gz WJFFDXAXLPKQMC-BBWFWOEESA-N 2 0 355.527 0.373 10 0 FCAERP C[C@H](NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001346607754 871932172 /nfs/dbraw/zinc/93/21/72/871932172.db2.gz WJFFDXAXLPKQMC-YESZJQIVSA-N 2 0 355.527 0.373 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC001329455672 872041767 /nfs/dbraw/zinc/04/17/67/872041767.db2.gz KNABELYUHJZVJV-OAHLLOKOSA-N 2 0 354.495 0.062 10 0 FCAERP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001329752595 872228565 /nfs/dbraw/zinc/22/85/65/872228565.db2.gz AMUYJXBERBAKEH-BMFZPTHFSA-N 2 0 360.524 0.276 10 0 FCAERP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC001329752597 872229517 /nfs/dbraw/zinc/22/95/17/872229517.db2.gz AMUYJXBERBAKEH-FVQBIDKESA-N 2 0 360.524 0.276 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001347580586 872400650 /nfs/dbraw/zinc/40/06/50/872400650.db2.gz SPNNBBDVWUVOFV-HHARLNAUSA-N 2 0 350.507 0.917 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001347609929 872417933 /nfs/dbraw/zinc/41/79/33/872417933.db2.gz WRQAFLWNQPRSNG-HZMVEIRTSA-N 2 0 350.507 0.917 10 0 FCAERP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001347808657 872499884 /nfs/dbraw/zinc/49/98/84/872499884.db2.gz GTFIXWGUODGERK-OAGGEKHMSA-N 2 0 350.507 0.918 10 0 FCAERP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC001348305982 872662396 /nfs/dbraw/zinc/66/23/96/872662396.db2.gz HXYVUXGVIPIHGF-OSRDXIQISA-N 2 0 351.451 0.080 10 0 FCAERP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21)[NH+]1CCN(C)CC1 ZINC001348434585 872697902 /nfs/dbraw/zinc/69/79/02/872697902.db2.gz PRNKAQDQFZKLAS-FJIDUMEYSA-N 2 0 351.539 0.898 10 0 FCAERP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21)[NH+]1CCN(C)CC1 ZINC001348434587 872698217 /nfs/dbraw/zinc/69/82/17/872698217.db2.gz PRNKAQDQFZKLAS-MLHJIOFPSA-N 2 0 351.539 0.898 10 0 FCAERP FC(F)(F)Cn1nnc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC001332456362 873515562 /nfs/dbraw/zinc/51/55/62/873515562.db2.gz OUYGDSRQILNHTA-BETUJISGSA-N 2 0 359.400 0.636 10 0 FCAERP COc1cc(CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sn1 ZINC001332631302 873589403 /nfs/dbraw/zinc/58/94/03/873589403.db2.gz GLCWHHZBNGPVBA-UMVBOHGHSA-N 2 0 370.519 0.743 10 0 FCAERP C[NH+]1CCC2(CCN2C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC001332981400 873746029 /nfs/dbraw/zinc/74/60/29/873746029.db2.gz JOFOLNQHBBKXTO-UHFFFAOYSA-N 2 0 350.507 0.921 10 0 FCAERP C[NH+]1CCC[C@H]1CNC(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C)cn1 ZINC000292017698 214071091 /nfs/dbraw/zinc/07/10/91/214071091.db2.gz VBMZESHZGRKOIG-HOTGVXAUSA-N 2 0 359.474 0.730 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000332523941 215167827 /nfs/dbraw/zinc/16/78/27/215167827.db2.gz AZZNPNUTTWUEGS-UHFFFAOYSA-N 2 0 350.507 0.921 10 0 FCAERP C[C@@H](NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)[C@@H](C)N1CCOCC1 ZINC000332861646 215214657 /nfs/dbraw/zinc/21/46/57/215214657.db2.gz QCQUJKZLCNSOPL-QBPKDAKJSA-N 2 0 354.495 0.600 10 0 FCAERP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)N1CCO[C@@H]2CCCC[C@H]21 ZINC000333844306 215324637 /nfs/dbraw/zinc/32/46/37/215324637.db2.gz LYKQDPNBVMDUSB-ZJPYXAASSA-N 2 0 363.502 0.857 10 0 FCAERP C[C@H](CNC(=O)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1)[NH+]1C[C@H]2COC[C@]2(C)C1 ZINC000931020457 674087783 /nfs/dbraw/zinc/08/77/83/674087783.db2.gz SXQPTMBQDMRNHK-SMYFESCOSA-N 2 0 351.491 0.428 10 0 FCAERP O=C(N1CC[NH+]2CCC[C@H]2C1)C1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000246612192 209393909 /nfs/dbraw/zinc/39/39/09/209393909.db2.gz UWPXQTIKMYTVNZ-IRXDYDNUSA-N 2 0 360.502 0.770 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246236832 209383412 /nfs/dbraw/zinc/38/34/12/209383412.db2.gz UBDFCDONXZPLLQ-ZWKOTPCHSA-N 2 0 352.523 0.630 10 0 FCAERP C[N@H+]1C[C@H]2CN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@H]2C1 ZINC000193602376 209315313 /nfs/dbraw/zinc/31/53/13/209315313.db2.gz DUCIISFAOAHQCK-HDICACEKSA-N 2 0 364.534 0.631 10 0 FCAERP c1nc2nc(N3CC[NH+]4CCC3CC4)cc(N3CC[NH+]4CCC3CC4)n2n1 ZINC000368444616 216247597 /nfs/dbraw/zinc/24/75/97/216247597.db2.gz CUABJFWTFWBJBS-UHFFFAOYSA-N 2 0 368.489 0.693 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000369394544 216394031 /nfs/dbraw/zinc/39/40/31/216394031.db2.gz IDXPRMRZFNVWCP-ZWKOTPCHSA-N 2 0 367.538 0.519 10 0 FCAERP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000189271383 209246321 /nfs/dbraw/zinc/24/63/21/209246321.db2.gz GVLDFZFORARNQJ-DLBZAZTESA-N 2 0 368.522 0.450 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000931396986 674111804 /nfs/dbraw/zinc/11/18/04/674111804.db2.gz LLNXQZGAGREWRN-WBVHZDCISA-N 2 0 374.551 0.333 10 0 FCAERP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414972515 245338220 /nfs/dbraw/zinc/33/82/20/245338220.db2.gz JNMBSEZSEKWHGM-CQSZACIVSA-N 2 0 370.375 0.708 10 0 FCAERP C[C@H]1C[C@@H](C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC000373372819 217013394 /nfs/dbraw/zinc/01/33/94/217013394.db2.gz KJOIAGRQMCEWJT-IRXDYDNUSA-N 2 0 350.507 0.873 10 0 FCAERP CC[C@H](O)C[NH+]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000184975449 209170760 /nfs/dbraw/zinc/17/07/60/209170760.db2.gz CERYMXNDNZVKRM-OALUTQOASA-N 2 0 362.518 0.794 10 0 FCAERP Cc1cc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000415617514 245449782 /nfs/dbraw/zinc/44/97/82/245449782.db2.gz QPRRTXWJCIRSTR-XJKSGUPXSA-N 2 0 362.474 0.988 10 0 FCAERP [NH3+][C@@H](CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000418443968 245785412 /nfs/dbraw/zinc/78/54/12/245785412.db2.gz GEQHGSXLOVQNGU-IRXDYDNUSA-N 2 0 359.474 0.540 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419136101 246011067 /nfs/dbraw/zinc/01/10/67/246011067.db2.gz OINHVPGTXVIKIZ-KBAYOESNSA-N 2 0 358.486 0.881 10 0 FCAERP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419168920 246030641 /nfs/dbraw/zinc/03/06/41/246030641.db2.gz LNCJPVUSFRENTI-OALUTQOASA-N 2 0 372.513 0.926 10 0 FCAERP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NCCC[NH3+])cc2)C[C@H](C)O1 ZINC000419224572 246064356 /nfs/dbraw/zinc/06/43/56/246064356.db2.gz ZSRAZECKYQGOCP-GJZGRUSLSA-N 2 0 362.474 0.377 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419341088 246103379 /nfs/dbraw/zinc/10/33/79/246103379.db2.gz XRHLYZALNVKORS-RHSMWYFYSA-N 2 0 359.474 0.276 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419364287 246117363 /nfs/dbraw/zinc/11/73/63/246117363.db2.gz DXDFMVOXCGUDMP-YOEHRIQHSA-N 2 0 358.486 0.316 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000419473305 246176799 /nfs/dbraw/zinc/17/67/99/246176799.db2.gz AEFWOWVQAVAUGW-YVSFHVDLSA-N 2 0 352.523 0.975 10 0 FCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000419483052 246178612 /nfs/dbraw/zinc/17/86/12/246178612.db2.gz RFXUTYNMPOLGNU-YVSFHVDLSA-N 2 0 352.523 0.975 10 0 FCAERP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000419494416 246180346 /nfs/dbraw/zinc/18/03/46/246180346.db2.gz PJYNZMODTCBLPC-YESZJQIVSA-N 2 0 356.511 0.584 10 0 FCAERP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000419562909 246204531 /nfs/dbraw/zinc/20/45/31/246204531.db2.gz VYNXWHWIHXBRIG-DZGCQCFKSA-N 2 0 350.488 0.679 10 0 FCAERP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000419536366 246194778 /nfs/dbraw/zinc/19/47/78/246194778.db2.gz MAOKGYQQQRZIJW-MRXNPFEDSA-N 2 0 354.495 0.062 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419535531 246196084 /nfs/dbraw/zinc/19/60/84/246196084.db2.gz LHNPCCATBQDEED-QGZVFWFLSA-N 2 0 366.506 0.204 10 0 FCAERP C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000419540080 246197263 /nfs/dbraw/zinc/19/72/63/246197263.db2.gz ZHIYLYBOCZMECU-CRAIPNDOSA-N 2 0 358.486 0.834 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419552155 246199795 /nfs/dbraw/zinc/19/97/95/246199795.db2.gz YGZNIWMBTWIXIF-KRWDZBQOSA-N 2 0 368.522 0.642 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC3CC(C2)CC1C3 ZINC000419658358 246233854 /nfs/dbraw/zinc/23/38/54/246233854.db2.gz WPSBSKIISAICON-QEQVDOGFSA-N 2 0 374.529 0.999 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419696921 246253980 /nfs/dbraw/zinc/25/39/80/246253980.db2.gz VVZAWLQGWXICNG-CABCVRRESA-N 2 0 368.547 0.578 10 0 FCAERP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419737945 246278652 /nfs/dbraw/zinc/27/86/52/246278652.db2.gz UIWBDSZODTZEDO-SFHVURJKSA-N 2 0 373.501 0.811 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000419847820 246320954 /nfs/dbraw/zinc/32/09/54/246320954.db2.gz JNBNQUDEFSTGMP-KRWDZBQOSA-N 2 0 361.490 0.619 10 0 FCAERP [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000419858830 246328340 /nfs/dbraw/zinc/32/83/40/246328340.db2.gz INRTWBANEIBCPF-DOTOQJQBSA-N 2 0 350.507 0.955 10 0 FCAERP [NH3+][C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000419916093 246368688 /nfs/dbraw/zinc/36/86/88/246368688.db2.gz DKUHQXPZSHUTOH-SFHVURJKSA-N 2 0 374.485 0.373 10 0 FCAERP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000419940256 246380856 /nfs/dbraw/zinc/38/08/56/246380856.db2.gz ZKKVLUUZURKDOG-QZTJIDSGSA-N 2 0 358.486 0.993 10 0 FCAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000419951734 246385775 /nfs/dbraw/zinc/38/57/75/246385775.db2.gz NLAWMQIOKNZWBX-HOTGVXAUSA-N 2 0 354.495 0.204 10 0 FCAERP CN(C)C(=O)C1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000424024636 247160902 /nfs/dbraw/zinc/16/09/02/247160902.db2.gz XGQJWJPLILHRCW-UHFFFAOYSA-N 2 0 358.486 0.965 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424538850 247255973 /nfs/dbraw/zinc/25/59/73/247255973.db2.gz DRRNXZJZLCXOCS-XGXHKWSGSA-N 2 0 370.497 0.834 10 0 FCAERP COCCC[N@H+](C)CCNC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000074616847 208056667 /nfs/dbraw/zinc/05/66/67/208056667.db2.gz LROPUSQESUSXRW-GOSISDBHSA-N 2 0 369.554 0.766 10 0 FCAERP CCN1CC[NH+](CCCCNC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000117032727 208339094 /nfs/dbraw/zinc/33/90/94/208339094.db2.gz DYTOZZFSLOWCGC-QGZVFWFLSA-N 2 0 355.527 0.376 10 0 FCAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)C1 ZINC000117470123 208345980 /nfs/dbraw/zinc/34/59/80/208345980.db2.gz FTSVECNIXMMZRH-GOSISDBHSA-N 2 0 367.538 0.517 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170836925 208870218 /nfs/dbraw/zinc/87/02/18/208870218.db2.gz XTGIKYDROYSPFV-KRWDZBQOSA-N 2 0 361.490 0.824 10 0 FCAERP CNC(=O)CN1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000179104185 209071978 /nfs/dbraw/zinc/07/19/78/209071978.db2.gz ROIKVPGZWLIZPX-IEBWSBKVSA-N 2 0 373.501 0.941 10 0 FCAERP C[C@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(=O)N(C)C ZINC000179116450 209072074 /nfs/dbraw/zinc/07/20/74/209072074.db2.gz ILSVIGWHBMTIMO-LSVZVQIISA-N 2 0 351.495 0.416 10 0 FCAERP COC(=O)[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@H+](C)C1 ZINC000413410243 533477118 /nfs/dbraw/zinc/47/71/18/533477118.db2.gz TVVVRAFMDHRAAH-PCKAHOCUSA-N 2 0 354.495 0.853 10 0 FCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000302899359 488893209 /nfs/dbraw/zinc/89/32/09/488893209.db2.gz QDJANSWAKHCRDP-KRWDZBQOSA-N 2 0 360.506 0.920 10 0 FCAERP CCCNC(=O)C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000042687071 487873327 /nfs/dbraw/zinc/87/33/27/487873327.db2.gz YOJRGHJRFNECNM-UHFFFAOYSA-N 2 0 350.507 0.968 10 0 FCAERP CN1CC[NH+](CCCCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000068515753 488366764 /nfs/dbraw/zinc/36/67/64/488366764.db2.gz VPXYQIYYGGZGHO-UHFFFAOYSA-N 2 0 374.533 0.591 10 0 FCAERP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000562838375 491195184 /nfs/dbraw/zinc/19/51/84/491195184.db2.gz XFBUMDSKVZPRLU-INIZCTEOSA-N 2 0 354.495 0.063 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000185732338 488402445 /nfs/dbraw/zinc/40/24/45/488402445.db2.gz MCVADQQYZHHXRD-SJORKVTESA-N 2 0 355.527 0.422 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000185732382 488402668 /nfs/dbraw/zinc/40/26/68/488402668.db2.gz MCVADQQYZHHXRD-IAGOWNOFSA-N 2 0 355.527 0.422 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CC(N)=O)C2)C1 ZINC000245407759 488463426 /nfs/dbraw/zinc/46/34/26/488463426.db2.gz CTTFUTKBPAMJJN-JKSUJKDBSA-N 2 0 354.495 0.047 10 0 FCAERP c1ncn([C@@H]2CCC[NH+](CCOCC[N@@H+]3CCC[C@@H](n4cncn4)C3)C2)n1 ZINC000247153426 488482628 /nfs/dbraw/zinc/48/26/28/488482628.db2.gz UKDRVOBSYSMYTF-QZTJIDSGSA-N 2 0 374.493 0.860 10 0 FCAERP C[C@H](C(=O)NC(N)=O)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247779077 488490284 /nfs/dbraw/zinc/49/02/84/488490284.db2.gz RKYWYMWVXNTJTM-RHSMWYFYSA-N 2 0 362.474 0.947 10 0 FCAERP c1nc2nc(N3CC[N@@H+]4CCC[C@H]4C3)cc(N3CC[NH+]4CCC[C@H]4C3)n2n1 ZINC000248664933 488500495 /nfs/dbraw/zinc/50/04/95/488500495.db2.gz KVJZVAWZNUWKNY-HOTGVXAUSA-N 2 0 368.489 0.693 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000249134717 488507178 /nfs/dbraw/zinc/50/71/78/488507178.db2.gz UFVVYYDTWZVHTO-HZPDHXFCSA-N 2 0 356.511 0.584 10 0 FCAERP COCC[NH+]1CCN(C/C=C\CN2CC[N@@H+](CCOC)[C@H](C)C2)C[C@H]1C ZINC000254941604 488522464 /nfs/dbraw/zinc/52/24/64/488522464.db2.gz WELFWLDCWIMQJL-SBUVDCAVSA-N 2 0 368.566 0.848 10 0 FCAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)C1 ZINC000261635541 488528244 /nfs/dbraw/zinc/52/82/44/488528244.db2.gz AHRKRXRMFNKOIR-KZNAEPCWSA-N 2 0 352.523 0.615 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000111813901 488531649 /nfs/dbraw/zinc/53/16/49/488531649.db2.gz RIFMRDOYJMLTTQ-QGZVFWFLSA-N 2 0 355.527 0.422 10 0 FCAERP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261858765 488538978 /nfs/dbraw/zinc/53/89/78/488538978.db2.gz WGGZPGRHLCSAOQ-SPUZQDLCSA-N 2 0 358.486 0.773 10 0 FCAERP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)c1ccccc1 ZINC000261865794 488539125 /nfs/dbraw/zinc/53/91/25/488539125.db2.gz CQKWIGAAILWEDZ-BRWVUGGUSA-N 2 0 353.488 0.712 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262273290 488560940 /nfs/dbraw/zinc/56/09/40/488560940.db2.gz NFTBBYZVKHSDQK-SJORKVTESA-N 2 0 351.495 0.540 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000562993888 491206744 /nfs/dbraw/zinc/20/67/44/491206744.db2.gz QWBROECQARSAFZ-HOCLYGCPSA-N 2 0 366.893 0.643 10 0 FCAERP CCCNC(=O)CCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000123220256 488583998 /nfs/dbraw/zinc/58/39/98/488583998.db2.gz GNKSNSNWBAETQS-SJPCQFCGSA-N 2 0 365.522 0.855 10 0 FCAERP CN1CCN(c2ncc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)cn2)CC1 ZINC000128480631 488624894 /nfs/dbraw/zinc/62/48/94/488624894.db2.gz MTWCQHHWIQXBHD-MRXNPFEDSA-N 2 0 356.478 0.732 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000133676941 488661240 /nfs/dbraw/zinc/66/12/40/488661240.db2.gz PPPKXDCCQNIOCX-INIZCTEOSA-N 2 0 372.473 0.802 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000153382015 488730841 /nfs/dbraw/zinc/73/08/41/488730841.db2.gz NDEUBSJUOWQWAH-UHFFFAOYSA-N 2 0 364.494 0.621 10 0 FCAERP CC[NH+]1CCN(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000154300097 488741283 /nfs/dbraw/zinc/74/12/83/488741283.db2.gz OPRWVOZPDTZLKF-UXHICEINSA-N 2 0 374.529 0.623 10 0 FCAERP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)CC1 ZINC000171651424 488825126 /nfs/dbraw/zinc/82/51/26/488825126.db2.gz JVKQRZNRXOCMPQ-QGZVFWFLSA-N 2 0 359.474 0.815 10 0 FCAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000176861947 488858870 /nfs/dbraw/zinc/85/88/70/488858870.db2.gz AUNMXLOFSATZMG-KRWDZBQOSA-N 2 0 363.506 0.920 10 0 FCAERP CN(C)C(=O)CCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179121952 488860755 /nfs/dbraw/zinc/86/07/55/488860755.db2.gz BVJKNTAIRDTENI-SJPCQFCGSA-N 2 0 365.522 0.807 10 0 FCAERP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000369883165 489287446 /nfs/dbraw/zinc/28/74/46/489287446.db2.gz JJJGVIUCYAHIKW-OGWOLHLISA-N 2 0 359.474 0.962 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000563456259 491248759 /nfs/dbraw/zinc/24/87/59/491248759.db2.gz FHJFGBGJIZSYCI-PBHICJAKSA-N 2 0 365.522 0.759 10 0 FCAERP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)CC1 ZINC000563545848 491254413 /nfs/dbraw/zinc/25/44/13/491254413.db2.gz MGRLBFXQBLDKKH-HDICACEKSA-N 2 0 372.517 0.974 10 0 FCAERP COC(=O)c1ccc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c(OC)c1 ZINC000563618442 491258848 /nfs/dbraw/zinc/25/88/48/491258848.db2.gz UMXIRWYDYIUCNE-KRWDZBQOSA-N 2 0 365.474 0.222 10 0 FCAERP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)C[C@H]21 ZINC000423085389 489492061 /nfs/dbraw/zinc/49/20/61/489492061.db2.gz KMHCPRBKJNTODQ-KZNAEPCWSA-N 2 0 362.518 0.907 10 0 FCAERP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000423259235 489508357 /nfs/dbraw/zinc/50/83/57/489508357.db2.gz DJDCWVKBKJIGQU-UHFFFAOYSA-N 2 0 368.522 0.405 10 0 FCAERP O=C(NCCCn1ccnc1)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000555633677 491260900 /nfs/dbraw/zinc/26/09/00/491260900.db2.gz ZQCSXHXHIHXVJI-MRXNPFEDSA-N 2 0 363.462 0.103 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H]3C)c2)CC1 ZINC000415735620 489548281 /nfs/dbraw/zinc/54/82/81/489548281.db2.gz ZMQNYHCFYJBKEN-YOEHRIQHSA-N 2 0 359.474 0.715 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000415811062 489554233 /nfs/dbraw/zinc/55/42/33/489554233.db2.gz RFHHUZRWYFXHCD-CABCVRRESA-N 2 0 361.490 0.927 10 0 FCAERP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(OC[C@@H]3CCCCO3)CC2)C1=O ZINC000426088712 489554704 /nfs/dbraw/zinc/55/47/04/489554704.db2.gz ZRTQTHIMHKQDHO-IRXDYDNUSA-N 2 0 367.490 0.726 10 0 FCAERP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(OC[C@@H]3CCCCO3)CC2)C1=O ZINC000426088710 489554863 /nfs/dbraw/zinc/55/48/63/489554863.db2.gz ZRTQTHIMHKQDHO-DLBZAZTESA-N 2 0 367.490 0.726 10 0 FCAERP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C[C@@H](C)O1 ZINC000457573098 489650025 /nfs/dbraw/zinc/65/00/25/489650025.db2.gz JAWHYJKKNBDXQM-BRWVUGGUSA-N 2 0 356.511 0.632 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417417236 489651532 /nfs/dbraw/zinc/65/15/32/489651532.db2.gz AGTHMOAJQRVMEX-XHSDSOJGSA-N 2 0 351.495 0.465 10 0 FCAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417534305 489657425 /nfs/dbraw/zinc/65/74/25/489657425.db2.gz OABBINKQGJWWTO-OWCLPIDISA-N 2 0 353.511 0.746 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)NCCCN2CC[NH2+]CC2)ccc1F ZINC000417658485 489661185 /nfs/dbraw/zinc/66/11/85/489661185.db2.gz JIHGQSQXTPMYHZ-UHFFFAOYSA-N 2 0 351.470 0.982 10 0 FCAERP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000458360688 489678649 /nfs/dbraw/zinc/67/86/49/489678649.db2.gz GDHRVAPDVHWZPZ-KRWDZBQOSA-N 2 0 369.554 0.813 10 0 FCAERP [NH3+][C@H](CNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000418453357 489699403 /nfs/dbraw/zinc/69/94/03/489699403.db2.gz OZQZDBASZWUUNH-NXHRZFHOSA-N 2 0 373.501 0.976 10 0 FCAERP CSC1(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC[NH+](C)CC1 ZINC000458780423 489702254 /nfs/dbraw/zinc/70/22/54/489702254.db2.gz CZJMNEXHGHKSRH-HNNXBMFYSA-N 2 0 358.552 0.960 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2CCNC[C@@H]2c2cccnc2)CCCC1 ZINC000418840470 489750268 /nfs/dbraw/zinc/75/02/68/489750268.db2.gz XQKQOUGTLLRGBO-MRXNPFEDSA-N 2 0 359.474 0.545 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418871948 489767547 /nfs/dbraw/zinc/76/75/47/489767547.db2.gz FVPGEGHFFCGEEA-SQNIBIBYSA-N 2 0 358.486 0.628 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418873339 489768759 /nfs/dbraw/zinc/76/87/59/489768759.db2.gz HXFIAOYGGLVUQR-YLJYHZDGSA-N 2 0 360.502 0.781 10 0 FCAERP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000418875564 489769439 /nfs/dbraw/zinc/76/94/39/489769439.db2.gz KSUARSPVLPKSOF-ZWKOTPCHSA-N 2 0 360.502 0.734 10 0 FCAERP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000418875562 489769496 /nfs/dbraw/zinc/76/94/96/489769496.db2.gz KSUARSPVLPKSOF-QZTJIDSGSA-N 2 0 360.502 0.734 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418881379 489773739 /nfs/dbraw/zinc/77/37/39/489773739.db2.gz XFETVTGUUGYGTI-MSOLQXFVSA-N 2 0 360.502 0.863 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418881382 489773800 /nfs/dbraw/zinc/77/38/00/489773800.db2.gz XFETVTGUUGYGTI-ZWKOTPCHSA-N 2 0 360.502 0.863 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[C@H]1c1ccccc1 ZINC000418911058 489786181 /nfs/dbraw/zinc/78/61/81/489786181.db2.gz PQQMVBZEBBMAII-YESZJQIVSA-N 2 0 360.458 0.124 10 0 FCAERP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000418918622 489790732 /nfs/dbraw/zinc/79/07/32/489790732.db2.gz ZQPHDSZICXCWJW-KMUNFCNLSA-N 2 0 354.401 0.680 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000418931570 489795564 /nfs/dbraw/zinc/79/55/64/489795564.db2.gz GJFLCEAVSLKRTI-BBWFWOEESA-N 2 0 350.507 0.810 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)NCCC[NH2+]C2CC2)ccc1F ZINC000418957333 489804477 /nfs/dbraw/zinc/80/44/77/489804477.db2.gz DLTNUIBCFRZQLQ-UHFFFAOYSA-N 2 0 350.438 0.762 10 0 FCAERP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000419000006 489813559 /nfs/dbraw/zinc/81/35/59/489813559.db2.gz JYFAQOZLASIBIG-QGZVFWFLSA-N 2 0 360.458 0.085 10 0 FCAERP CC1=CC[NH+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000460235507 489856554 /nfs/dbraw/zinc/85/65/54/489856554.db2.gz XQPQAOZDWQTPJB-KRWDZBQOSA-N 2 0 363.506 0.586 10 0 FCAERP [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000420069196 489902657 /nfs/dbraw/zinc/90/26/57/489902657.db2.gz VMPGKAYZUVZVNV-RDJZCZTQSA-N 2 0 350.507 0.955 10 0 FCAERP CN1CCC(CNC(=O)C(=O)NCC2([NH3+])CCC2)([NH+]2CCCCC2)CC1 ZINC000420090624 489908119 /nfs/dbraw/zinc/90/81/19/489908119.db2.gz LSCPNZXIDBCEKW-UHFFFAOYSA-N 2 0 365.522 0.051 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420090537 489908431 /nfs/dbraw/zinc/90/84/31/489908431.db2.gz AYQTUOOWSQKSKT-CQSZACIVSA-N 2 0 350.463 0.359 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420132158 489925048 /nfs/dbraw/zinc/92/50/48/489925048.db2.gz ZODNOGUIIZPHOU-WBVHZDCISA-N 2 0 366.506 0.204 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000477617648 489977702 /nfs/dbraw/zinc/97/77/02/489977702.db2.gz SFYWUTPGHISKCN-QGZVFWFLSA-N 2 0 350.507 0.920 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CCOC)CC2)[C@H](C)C1 ZINC000477645735 489981029 /nfs/dbraw/zinc/98/10/29/489981029.db2.gz NULKFFBEGCEWEM-NVXWUHKLSA-N 2 0 368.522 0.402 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000571148285 491288499 /nfs/dbraw/zinc/28/84/99/491288499.db2.gz OEMQJVBUVZRQDQ-AWEZNQCLSA-N 2 0 368.432 0.630 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC(F)(F)[C@H](CO)C2)C1 ZINC000463224674 490005694 /nfs/dbraw/zinc/00/56/94/490005694.db2.gz FSYJXRRRKXTJKK-GJZGRUSLSA-N 2 0 363.449 0.409 10 0 FCAERP C[NH+](C)C[C@H]1CCCN1C(=O)CSCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000464922032 490072752 /nfs/dbraw/zinc/07/27/52/490072752.db2.gz PIFPKQMNQLTNAV-HZPDHXFCSA-N 2 0 370.563 0.825 10 0 FCAERP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000465029244 490076570 /nfs/dbraw/zinc/07/65/70/490076570.db2.gz KAOMMGSOPUXPNB-KRWDZBQOSA-N 3 0 366.506 0.252 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000571282196 491297750 /nfs/dbraw/zinc/29/77/50/491297750.db2.gz BKTZMYKGZQVMRX-IAGOWNOFSA-N 2 0 363.458 0.674 10 0 FCAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000571304032 491298990 /nfs/dbraw/zinc/29/89/90/491298990.db2.gz SVDIPYJXPAMJQM-MRXNPFEDSA-N 2 0 365.522 0.986 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000496263112 490109468 /nfs/dbraw/zinc/10/94/68/490109468.db2.gz HYQXCBASAAFUJA-CVEARBPZSA-N 2 0 367.538 0.070 10 0 FCAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000556170085 491299951 /nfs/dbraw/zinc/29/99/51/491299951.db2.gz GICNNWOKZLCNSW-IAGOWNOFSA-N 2 0 368.522 0.594 10 0 FCAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000571327338 491301128 /nfs/dbraw/zinc/30/11/28/491301128.db2.gz VMSOUYYXHVHWMM-AEFFLSMTSA-N 2 0 354.454 0.544 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000385672981 490129162 /nfs/dbraw/zinc/12/91/62/490129162.db2.gz FDMZGWWQECDJDM-QZTJIDSGSA-N 2 0 367.515 0.806 10 0 FCAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000382750669 490129555 /nfs/dbraw/zinc/12/95/55/490129555.db2.gz FRMZZRFWDLBGRT-WMZOPIPTSA-N 2 0 367.515 0.901 10 0 FCAERP CN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388479744 490133848 /nfs/dbraw/zinc/13/38/48/490133848.db2.gz ASNHTMCPDCAUPJ-ZWKOTPCHSA-N 2 0 367.515 0.901 10 0 FCAERP C[C@H]1CN(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000408010083 490203605 /nfs/dbraw/zinc/20/36/05/490203605.db2.gz NDFWBBFAYVBUBO-GJZGRUSLSA-N 2 0 362.540 0.298 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C(C)(C)c2cnn(C)c2)C1 ZINC000546704858 490234536 /nfs/dbraw/zinc/23/45/36/490234536.db2.gz GSRHIUPIFYUPGO-INIZCTEOSA-N 2 0 351.495 0.718 10 0 FCAERP O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000521275807 490243473 /nfs/dbraw/zinc/24/34/73/490243473.db2.gz NKOIEOPZNVDLEC-MOPGFXCFSA-N 2 0 356.507 0.977 10 0 FCAERP C[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000547750483 490351675 /nfs/dbraw/zinc/35/16/75/490351675.db2.gz WEEQHKVRNZBYOJ-HNNXBMFYSA-N 2 0 352.523 0.506 10 0 FCAERP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000468642426 490424002 /nfs/dbraw/zinc/42/40/02/490424002.db2.gz QYINZBUMYUIZPH-KRWDZBQOSA-N 2 0 352.523 0.977 10 0 FCAERP CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000484645535 490453019 /nfs/dbraw/zinc/45/30/19/490453019.db2.gz WBEYLXQJMKBUPE-GVDBMIGSSA-N 2 0 357.495 0.243 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422954332 490505106 /nfs/dbraw/zinc/50/51/06/490505106.db2.gz IDKRJBPTCVBSGT-KRWDZBQOSA-N 2 0 358.486 0.630 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)ccc1F ZINC000422956974 490506092 /nfs/dbraw/zinc/50/60/92/490506092.db2.gz RTNJBIYTGPGXDA-UHFFFAOYSA-N 2 0 362.449 0.858 10 0 FCAERP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423056123 490531436 /nfs/dbraw/zinc/53/14/36/490531436.db2.gz FBACLMQXRISZGT-ROUUACIJSA-N 2 0 358.486 0.930 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000423064947 490533244 /nfs/dbraw/zinc/53/32/44/490533244.db2.gz ZYZUEACRRSHVGA-NJAFHUGGSA-N 2 0 358.486 0.915 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000423064945 490533724 /nfs/dbraw/zinc/53/37/24/490533724.db2.gz ZYZUEACRRSHVGA-BPQIPLTHSA-N 2 0 358.486 0.915 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000423064946 490533810 /nfs/dbraw/zinc/53/38/10/490533810.db2.gz ZYZUEACRRSHVGA-KBAYOESNSA-N 2 0 358.486 0.915 10 0 FCAERP O=C(C[N@@H+]1CCCC[C@H]1CN1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000524766413 490556771 /nfs/dbraw/zinc/55/67/71/490556771.db2.gz LFRIEKFIMFZRRS-IBGZPJMESA-N 2 0 364.534 0.916 10 0 FCAERP C[C@H]1CN(c2ccc(C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)cn2)CCO1 ZINC000571908739 491336994 /nfs/dbraw/zinc/33/69/94/491336994.db2.gz ANINJRURFZRCLT-FUHWJXTLSA-N 2 0 363.506 0.005 10 0 FCAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H]2CCC[C@H]21 ZINC000556886888 491342587 /nfs/dbraw/zinc/34/25/87/491342587.db2.gz PRWDRKQSZGPECB-ZJPYXAASSA-N 2 0 350.507 0.382 10 0 FCAERP C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000512468079 490683970 /nfs/dbraw/zinc/68/39/70/490683970.db2.gz HZURUKXGSREDRB-CRAIPNDOSA-N 2 0 350.507 0.524 10 0 FCAERP C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000512468081 490684302 /nfs/dbraw/zinc/68/43/02/490684302.db2.gz HZURUKXGSREDRB-QAPCUYQASA-N 2 0 350.507 0.524 10 0 FCAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)CC1 ZINC000528635640 490817115 /nfs/dbraw/zinc/81/71/15/490817115.db2.gz ONBDVYMMJBGYFU-KRWDZBQOSA-N 2 0 353.507 0.840 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000529280553 490846956 /nfs/dbraw/zinc/84/69/56/490846956.db2.gz CCLYJDFVEKHTJE-UHFFFAOYSA-N 2 0 366.510 0.212 10 0 FCAERP O=C(NCCCN1CC[NH2+]CC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529332565 490853832 /nfs/dbraw/zinc/85/38/32/490853832.db2.gz ZZZGPRGMNOQGOV-QGZVFWFLSA-N 2 0 353.511 0.082 10 0 FCAERP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529331407 490854058 /nfs/dbraw/zinc/85/40/58/490854058.db2.gz VYVVSKZJIYWSSC-MRXNPFEDSA-N 2 0 366.510 0.071 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000517162089 490897249 /nfs/dbraw/zinc/89/72/49/490897249.db2.gz UZQPRTJGFSAMNC-MRXNPFEDSA-N 2 0 368.522 0.450 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000517381325 490906415 /nfs/dbraw/zinc/90/64/15/490906415.db2.gz JTGODTGZGGOIPA-UHFFFAOYSA-N 2 0 362.474 0.914 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](CO)C2CCCCC2)C1 ZINC000542913569 490915320 /nfs/dbraw/zinc/91/53/20/490915320.db2.gz IGVXPTPPXLPKJU-MSOLQXFVSA-N 2 0 355.523 0.990 10 0 FCAERP COc1cccc(N2CC[C@@H](C[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)c1 ZINC000572356575 491364641 /nfs/dbraw/zinc/36/46/41/491364641.db2.gz OHYYXMFJUPFBFQ-HKUYNNGSSA-N 2 0 362.518 0.719 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)Cc1ccccc1 ZINC000518346504 490936853 /nfs/dbraw/zinc/93/68/53/490936853.db2.gz HRILNNLGRPTCHE-HXUWFJFHSA-N 2 0 358.486 0.837 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000518565917 490945496 /nfs/dbraw/zinc/94/54/96/490945496.db2.gz RSAWMROLFLSWJN-UHFFFAOYSA-N 2 0 353.511 0.713 10 0 FCAERP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H](O)COC[C@H]3CCCO3)CC2)CC1 ZINC000544486658 490969860 /nfs/dbraw/zinc/96/98/60/490969860.db2.gz HEPGKMRDZXAXBG-RTBURBONSA-N 2 0 369.550 0.892 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000519535448 490974772 /nfs/dbraw/zinc/97/47/72/490974772.db2.gz AGAKXBIRKVSQJR-JYJNAYRXSA-N 2 0 354.495 0.284 10 0 FCAERP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000519716201 490986475 /nfs/dbraw/zinc/98/64/75/490986475.db2.gz SVGORFLIZVBORR-CVEARBPZSA-N 2 0 363.510 0.206 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000565362377 491372296 /nfs/dbraw/zinc/37/22/96/491372296.db2.gz CONZBVTUZJLLDZ-XYPWUTKMSA-N 2 0 369.535 0.965 10 0 FCAERP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000557403053 491372448 /nfs/dbraw/zinc/37/24/48/491372448.db2.gz IQSRKJCNPCQGNO-KRWDZBQOSA-N 2 0 350.507 0.991 10 0 FCAERP O=C(NCc1ccccc1CN1CCOCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000565647199 491391036 /nfs/dbraw/zinc/39/10/36/491391036.db2.gz VUVBMLCMAGPHSU-UHFFFAOYSA-N 2 0 360.458 0.403 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000660293943 493339990 /nfs/dbraw/zinc/33/99/90/493339990.db2.gz GPMPPHDWZRQQPF-WMZOPIPTSA-N 2 0 373.501 0.919 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)ccc1F ZINC000566175705 491422845 /nfs/dbraw/zinc/42/28/45/491422845.db2.gz AYHRXGWHTUBNHS-INIZCTEOSA-N 2 0 350.438 0.762 10 0 FCAERP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000558442656 491431165 /nfs/dbraw/zinc/43/11/65/491431165.db2.gz MRQSBFBBTFHAOC-WMLDXEAASA-N 2 0 350.507 0.918 10 0 FCAERP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000566295288 491433630 /nfs/dbraw/zinc/43/36/30/491433630.db2.gz MUJUISFTCFODBR-CQSZACIVSA-N 2 0 353.417 0.707 10 0 FCAERP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000566369229 491439632 /nfs/dbraw/zinc/43/96/32/491439632.db2.gz OKVXQDRZHIJIAN-KRWDZBQOSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000558828015 491446525 /nfs/dbraw/zinc/44/65/25/491446525.db2.gz XZWBSPVGYCPQMU-UHFFFAOYSA-N 2 0 365.478 0.997 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000566508359 491449777 /nfs/dbraw/zinc/44/97/77/491449777.db2.gz 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CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)C[C@H](C)[NH2+]1 ZINC000620903309 492343963 /nfs/dbraw/zinc/34/39/63/492343963.db2.gz MFHPKDRLLSXNCQ-MWDXBVQZSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CC3(O)CCOCC3)cn2)CC1 ZINC000634645953 492358430 /nfs/dbraw/zinc/35/84/30/492358430.db2.gz WEQFQMOLLXUSRA-QGZVFWFLSA-N 2 0 364.490 0.216 10 0 FCAERP O[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC1(O)CCOCC1 ZINC000634710681 492362140 /nfs/dbraw/zinc/36/21/40/492362140.db2.gz CFFOOUNANWHNCN-RBUKOAKNSA-N 2 0 364.486 0.635 10 0 FCAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642893319 492397345 /nfs/dbraw/zinc/39/73/45/492397345.db2.gz CAQGPIINJPFICT-FUHWJXTLSA-N 2 0 358.486 0.978 10 0 FCAERP CN(C(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000642903120 492400278 /nfs/dbraw/zinc/40/02/78/492400278.db2.gz BYCWRYUCZIKEOY-QZTJIDSGSA-N 2 0 358.486 0.978 10 0 FCAERP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000642980402 492410210 /nfs/dbraw/zinc/41/02/10/492410210.db2.gz CKFGRILIJSLXIR-QZTJIDSGSA-N 2 0 358.486 0.978 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000627921471 492419365 /nfs/dbraw/zinc/41/93/65/492419365.db2.gz FCXMHSYSEOOICO-RYQLBKOJSA-N 2 0 358.486 0.910 10 0 FCAERP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297639 492428276 /nfs/dbraw/zinc/42/82/76/492428276.db2.gz NUGYSIOZEDGWEP-VQTJNVASSA-N 2 0 372.513 0.866 10 0 FCAERP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)([NH+](C)C)C1 ZINC000643470058 492471729 /nfs/dbraw/zinc/47/17/29/492471729.db2.gz QDKVZOGKEPDFMR-DNVCBOLYSA-N 2 0 350.507 0.968 10 0 FCAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)cn1 ZINC000622435953 492474258 /nfs/dbraw/zinc/47/42/58/492474258.db2.gz DFCWRCDZTNPOGD-SFHVURJKSA-N 2 0 362.474 0.707 10 0 FCAERP CC[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[C@H]1[NH3+] ZINC000643487023 492478947 /nfs/dbraw/zinc/47/89/47/492478947.db2.gz WSYZMIRCIRNILZ-DLBZAZTESA-N 2 0 350.507 0.907 10 0 FCAERP C[C@@H](CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655970737 492500175 /nfs/dbraw/zinc/50/01/75/492500175.db2.gz KTYWRFDRGSUZQY-NXOAAHMSSA-N 2 0 368.522 0.881 10 0 FCAERP C[C@@H]1CN(C(=O)C[C@@H]2CC[NH+](C)C2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635810906 492507585 /nfs/dbraw/zinc/50/75/85/492507585.db2.gz DTSUJQCMQAWMIU-IXDOHACOSA-N 2 0 350.507 0.729 10 0 FCAERP C[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024800 492520466 /nfs/dbraw/zinc/52/04/66/492520466.db2.gz VYOWTZDNEUNNRG-SOUVJXGZSA-N 2 0 354.495 0.106 10 0 FCAERP C[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024854 492520701 /nfs/dbraw/zinc/52/07/01/492520701.db2.gz SPOMJQGPWTUUPU-SOUVJXGZSA-N 2 0 354.495 0.106 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000656076364 492536976 /nfs/dbraw/zinc/53/69/76/492536976.db2.gz DDKRNHVGXQLYOC-ZACQAIPSSA-N 2 0 350.507 0.920 10 0 FCAERP COC[C@]1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000649348891 492542935 /nfs/dbraw/zinc/54/29/35/492542935.db2.gz CSWBPVUMXXQEQJ-FQEVSTJZSA-N 2 0 360.502 0.689 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C2CC2)C2CC[NH2+]CC2)C1 ZINC000649408968 492551101 /nfs/dbraw/zinc/55/11/01/492551101.db2.gz OZAKJJHVXGDMMJ-SFHVURJKSA-N 2 0 352.523 0.676 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000649417621 492553740 /nfs/dbraw/zinc/55/37/40/492553740.db2.gz CTRRWJKTGKZAFG-OALUTQOASA-N 3 0 366.550 0.781 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000649418772 492553840 /nfs/dbraw/zinc/55/38/40/492553840.db2.gz DVMGRNXGPGECAH-GUDVDZBRSA-N 2 0 366.550 0.923 10 0 FCAERP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656302978 492578746 /nfs/dbraw/zinc/57/87/46/492578746.db2.gz OBLMNYDSGSKOQZ-XUWVNRHRSA-N 2 0 356.511 0.447 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000656312612 492586958 /nfs/dbraw/zinc/58/69/58/492586958.db2.gz WHBNNPBYXOHHAM-IYBDPMFKSA-N 2 0 366.506 0.204 10 0 FCAERP C[NH+]1CCC[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)cn2)C1 ZINC000643974693 492617802 /nfs/dbraw/zinc/61/78/02/492617802.db2.gz KEMQMIJBKKXFFQ-JKSUJKDBSA-N 2 0 359.474 0.730 10 0 FCAERP C[C@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000650642507 492657616 /nfs/dbraw/zinc/65/76/16/492657616.db2.gz FDGFUOYRXRLGEF-JKSUJKDBSA-N 2 0 353.511 0.522 10 0 FCAERP C[C@H]1CCC[C@](CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)([NH+](C)C)C1 ZINC000650725138 492664007 /nfs/dbraw/zinc/66/40/07/492664007.db2.gz UHTNVIZTRRRZLA-LPHOPBHVSA-N 2 0 367.538 0.912 10 0 FCAERP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000629810702 492684407 /nfs/dbraw/zinc/68/44/07/492684407.db2.gz BFKIJFVNNWRHLG-QGZVFWFLSA-N 2 0 350.507 0.777 10 0 FCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000625406171 492775196 /nfs/dbraw/zinc/77/51/96/492775196.db2.gz QILNUPIUHWDYNW-WBVHZDCISA-N 2 0 350.507 0.920 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000625466439 492789514 /nfs/dbraw/zinc/78/95/14/492789514.db2.gz SXJJUZMNDFHJPR-QGZVFWFLSA-N 3 0 367.538 0.071 10 0 FCAERP C[C@@H]1[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC(=O)N1Cc1ccccc1 ZINC000644639449 492794456 /nfs/dbraw/zinc/79/44/56/492794456.db2.gz YNJVKCRTMOQGBT-NZSAHSFTSA-N 2 0 360.502 0.374 10 0 FCAERP CCOc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc1C ZINC000657839312 492801562 /nfs/dbraw/zinc/80/15/62/492801562.db2.gz RJSQYGPEXANEBA-UHFFFAOYSA-N 2 0 365.478 0.679 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)cnn1C ZINC000657835950 492801661 /nfs/dbraw/zinc/80/16/61/492801661.db2.gz RXFDGINHCSJZCG-OAHLLOKOSA-N 2 0 364.494 0.542 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889311 492870419 /nfs/dbraw/zinc/87/04/19/492870419.db2.gz IGFKONVQCJPFTO-KZNAEPCWSA-N 2 0 352.523 0.533 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000631909670 492875466 /nfs/dbraw/zinc/87/54/66/492875466.db2.gz LLVYZVXMBMPSJI-SJORKVTESA-N 2 0 353.488 0.731 10 0 FCAERP CCO[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1C[NH3+] ZINC000652152205 492888196 /nfs/dbraw/zinc/88/81/96/492888196.db2.gz GYCCYERRSBZPAE-BFYDXBDKSA-N 2 0 353.511 0.160 10 0 FCAERP CCO[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H]1C[NH3+] ZINC000652170337 492890711 /nfs/dbraw/zinc/89/07/11/492890711.db2.gz AZCYUHHTSVBMMJ-NRSFXHEJSA-N 2 0 368.522 0.760 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000631950562 492897110 /nfs/dbraw/zinc/89/71/10/492897110.db2.gz KZJFQVGDPBYQCV-IKGGRYGDSA-N 2 0 369.487 0.049 10 0 FCAERP O=S(=O)(CCC[NH+]1CCCC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000631958197 492898305 /nfs/dbraw/zinc/89/83/05/492898305.db2.gz MLEFYBBYWPACLA-QGZVFWFLSA-N 2 0 359.536 0.893 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000645359926 492898661 /nfs/dbraw/zinc/89/86/61/492898661.db2.gz RSZQTTXMMFTVMP-FHERZECASA-N 2 0 351.495 0.765 10 0 FCAERP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000652362556 492916006 /nfs/dbraw/zinc/91/60/06/492916006.db2.gz JONOCGQCWCDSJR-IMJJTQAJSA-N 2 0 371.507 0.059 10 0 FCAERP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360638 492916227 /nfs/dbraw/zinc/91/62/27/492916227.db2.gz NJFRKTSFHZGVQS-XHSDSOJGSA-N 2 0 354.495 0.332 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2ccco2)CC1 ZINC000658537028 492935711 /nfs/dbraw/zinc/93/57/11/492935711.db2.gz SQIPCHFRPBNEMK-UHFFFAOYSA-N 2 0 364.490 0.937 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCc1ncn(C)n1 ZINC000645768816 492973399 /nfs/dbraw/zinc/97/33/99/492973399.db2.gz ZOGOKYLDRPEVOM-INIZCTEOSA-N 2 0 365.526 0.805 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C[C@H]1C[NH3+] ZINC000652635687 492973704 /nfs/dbraw/zinc/97/37/04/492973704.db2.gz CLAJMYZISZDREG-NVXWUHKLSA-N 2 0 362.474 0.817 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000652635927 492974827 /nfs/dbraw/zinc/97/48/27/492974827.db2.gz NIQAEXSZKUUUNH-NVXWUHKLSA-N 2 0 362.474 0.551 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000658613495 492980746 /nfs/dbraw/zinc/98/07/46/492980746.db2.gz LVUCXEZKZXXTGQ-IKGGRYGDSA-N 2 0 366.506 0.251 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652674174 492985140 /nfs/dbraw/zinc/98/51/40/492985140.db2.gz OEYBUCLBLVSZBF-UHFFFAOYSA-N 2 0 354.495 0.237 10 0 FCAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000652675056 492985915 /nfs/dbraw/zinc/98/59/15/492985915.db2.gz MNLRJAJVXNWHMY-KRWDZBQOSA-N 2 0 368.522 0.594 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)C[C@H]1C[NH3+] ZINC000652674837 492986082 /nfs/dbraw/zinc/98/60/82/492986082.db2.gz HEJXODQXVIWQAM-OWCLPIDISA-N 2 0 354.495 0.189 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652682840 492989207 /nfs/dbraw/zinc/98/92/07/492989207.db2.gz WSKKQVGWDLURAM-YYIAUSFCSA-N 2 0 368.522 0.293 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)NCCC1(C[NH3+])CC1)Cc1ccc(F)cc1 ZINC000652693546 492992035 /nfs/dbraw/zinc/99/20/35/492992035.db2.gz WMESCKVBOMCZSG-UHFFFAOYSA-N 2 0 350.438 0.619 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000652694105 492992702 /nfs/dbraw/zinc/99/27/02/492992702.db2.gz OUEYVHXRYFWRIB-IXDOHACOSA-N 2 0 362.474 0.228 10 0 FCAERP C[NH+](C)CCCS(=O)(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000632458721 493001800 /nfs/dbraw/zinc/00/18/00/493001800.db2.gz RUNHBBKIMNOJKJ-UHFFFAOYSA-N 2 0 369.531 0.885 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000652719807 493002165 /nfs/dbraw/zinc/00/21/65/493002165.db2.gz NCUYWBPSZIQJOR-ZWKOTPCHSA-N 2 0 358.486 0.965 10 0 FCAERP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658687120 493006958 /nfs/dbraw/zinc/00/69/58/493006958.db2.gz PKFFABWNIFXTKA-QGZVFWFLSA-N 2 0 368.522 0.234 10 0 FCAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626806415 493022900 /nfs/dbraw/zinc/02/29/00/493022900.db2.gz KQVLSAINJXAGCG-AWEZNQCLSA-N 2 0 360.458 0.907 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C[N@@H+]1C1CC1 ZINC000626809162 493024076 /nfs/dbraw/zinc/02/40/76/493024076.db2.gz SBLXFNAPDQDTNE-IUODEOHRSA-N 2 0 358.442 0.849 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626934009 493066516 /nfs/dbraw/zinc/06/65/16/493066516.db2.gz RQPCYYLBFMHUJJ-OAHLLOKOSA-N 2 0 354.499 0.069 10 0 FCAERP C[NH+](C)CCOc1ccccc1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000626955762 493069887 /nfs/dbraw/zinc/06/98/87/493069887.db2.gz CKBBKUXDVNNBLV-UHFFFAOYSA-N 2 0 350.463 0.934 10 0 FCAERP C[NH2+]CCOCCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000626967783 493071077 /nfs/dbraw/zinc/07/10/77/493071077.db2.gz IQVMCGISVFMEMB-SFHVURJKSA-N 2 0 363.506 0.510 10 0 FCAERP C[NH2+]CCOCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000627011718 493080424 /nfs/dbraw/zinc/08/04/24/493080424.db2.gz IKWIJEPZVNIWAC-KRWDZBQOSA-N 2 0 350.463 0.288 10 0 FCAERP [NH3+]CCCOCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000627011659 493080534 /nfs/dbraw/zinc/08/05/34/493080534.db2.gz HIPQIGGZVZWODS-QGZVFWFLSA-N 2 0 350.463 0.418 10 0 FCAERP C[N@H+](CCCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CC1 ZINC000627056611 493084606 /nfs/dbraw/zinc/08/46/06/493084606.db2.gz CEYBRAAVGBTRMJ-UHFFFAOYSA-N 2 0 366.510 0.213 10 0 FCAERP C[NH2+]CCOCCNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000627176075 493101138 /nfs/dbraw/zinc/10/11/38/493101138.db2.gz ISHSLAOJHWOXQP-GOSISDBHSA-N 2 0 350.463 0.159 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)cn2)CC1 ZINC000633005435 493101810 /nfs/dbraw/zinc/10/18/10/493101810.db2.gz CMSYENDXSPIZMB-LIRRHRJNSA-N 2 0 374.489 0.676 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cn2)CC1 ZINC000633005619 493102403 /nfs/dbraw/zinc/10/24/03/493102403.db2.gz NZKMKJTWAVZFNN-OKILXGFUSA-N 2 0 360.462 0.441 10 0 FCAERP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658905116 493108097 /nfs/dbraw/zinc/10/80/97/493108097.db2.gz XSOGPFBQSQVYIG-KRWDZBQOSA-N 2 0 368.522 0.138 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000633044865 493109793 /nfs/dbraw/zinc/10/97/93/493109793.db2.gz QLJYUXMOZLDXGK-CYBMUJFWSA-N 2 0 350.467 0.278 10 0 FCAERP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)n2)CC1 ZINC000627262236 493122950 /nfs/dbraw/zinc/12/29/50/493122950.db2.gz JZQGBHRXIGNYBH-HOTGVXAUSA-N 2 0 359.474 0.115 10 0 FCAERP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCCCC[C@H]([NH3+])C3)C2)CC1 ZINC000633098231 493124025 /nfs/dbraw/zinc/12/40/25/493124025.db2.gz CBEXIEPAZGFMLQ-IRXDYDNUSA-N 2 0 350.507 0.907 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633120860 493133782 /nfs/dbraw/zinc/13/37/82/493133782.db2.gz VIJWQBLVSBKJDQ-LSDHHAIUSA-N 2 0 352.479 0.038 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Cc1ccccc1 ZINC000627292127 493136545 /nfs/dbraw/zinc/13/65/45/493136545.db2.gz MALGQIWGEBWVLJ-DZFGPLHGSA-N 2 0 372.513 0.734 10 0 FCAERP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627292491 493136945 /nfs/dbraw/zinc/13/69/45/493136945.db2.gz VZKAGOUEFZZNBP-SJORKVTESA-N 2 0 356.470 0.778 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000627296307 493139474 /nfs/dbraw/zinc/13/94/74/493139474.db2.gz DCYSGKXPANCCSC-OKZBNKHCSA-N 2 0 374.485 0.126 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000627297700 493140305 /nfs/dbraw/zinc/14/03/05/493140305.db2.gz QWWBHDMVSOEXSZ-IRXDYDNUSA-N 2 0 362.474 0.242 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627302347 493142049 /nfs/dbraw/zinc/14/20/49/493142049.db2.gz IWEWTVMDXHXBQY-KDURUIRLSA-N 2 0 350.507 0.683 10 0 FCAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000659078828 493143529 /nfs/dbraw/zinc/14/35/29/493143529.db2.gz JUNIGZJSPQFCFA-MSOLQXFVSA-N 2 0 372.469 0.887 10 0 FCAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000659081615 493143953 /nfs/dbraw/zinc/14/39/53/493143953.db2.gz XGZIIHGMYUVUPP-QZTJIDSGSA-N 2 0 370.453 0.759 10 0 FCAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627310568 493145526 /nfs/dbraw/zinc/14/55/26/493145526.db2.gz WAPWADDFMRZTMN-SFHVURJKSA-N 2 0 374.485 0.393 10 0 FCAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311572 493145917 /nfs/dbraw/zinc/14/59/17/493145917.db2.gz CALOIFNAUDXOPH-OHQAAIJDSA-N 2 0 350.507 0.681 10 0 FCAERP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)cccc21 ZINC000659100031 493152733 /nfs/dbraw/zinc/15/27/33/493152733.db2.gz IFRSHZLMAUYGGC-WXYZLBAPSA-N 2 0 358.442 0.960 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)c2)CC1 ZINC000659104542 493154914 /nfs/dbraw/zinc/15/49/14/493154914.db2.gz LOCBZWTYRGJSDN-UHFFFAOYSA-N 2 0 371.485 0.635 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CCO1 ZINC000659114662 493161162 /nfs/dbraw/zinc/16/11/62/493161162.db2.gz QAGTYMCJZDSRQS-MRXNPFEDSA-N 2 0 374.485 0.840 10 0 FCAERP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627385663 493193738 /nfs/dbraw/zinc/19/37/38/493193738.db2.gz RSMHJQNFFJBFRX-HNNXBMFYSA-N 2 0 364.490 0.148 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cn(CC[NH3+])nn2)cc1F ZINC000659356462 493196713 /nfs/dbraw/zinc/19/67/13/493196713.db2.gz CNUWBYGQQZVXTN-JSGCOSHPSA-N 2 0 362.409 0.260 10 0 FCAERP C[C@H]1CC[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[NH2+]1 ZINC000627394026 493199499 /nfs/dbraw/zinc/19/94/99/493199499.db2.gz UKVIWDOMSPFHBX-XJKSGUPXSA-N 2 0 350.438 0.630 10 0 FCAERP O=C(CCOC1C[NH2+]C1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659374115 493199676 /nfs/dbraw/zinc/19/96/76/493199676.db2.gz GNRKLKOCFRSSPR-UHFFFAOYSA-N 2 0 358.486 0.836 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000659521125 493204407 /nfs/dbraw/zinc/20/44/07/493204407.db2.gz WZSURSBRJVEVSL-KRWDZBQOSA-N 2 0 361.490 0.976 10 0 FCAERP COCC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000659529489 493206011 /nfs/dbraw/zinc/20/60/11/493206011.db2.gz YMXSQVIMUNNZBG-GDBMZVCRSA-N 2 0 368.453 0.815 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000627406926 493206213 /nfs/dbraw/zinc/20/62/13/493206213.db2.gz XJGSVEBBOWINTK-UHFFFAOYSA-N 2 0 368.522 0.594 10 0 FCAERP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000627412262 493207395 /nfs/dbraw/zinc/20/73/95/493207395.db2.gz GNBXSVGRZVZGGC-HZPDHXFCSA-N 2 0 366.506 0.333 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)ccc1F ZINC000672595353 493213322 /nfs/dbraw/zinc/21/33/22/493213322.db2.gz AUEUCKOCTDFPFT-HNNXBMFYSA-N 2 0 350.438 0.714 10 0 FCAERP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000659566361 493213525 /nfs/dbraw/zinc/21/35/25/493213525.db2.gz KBSOVJLOPXYDAW-UHFFFAOYSA-N 2 0 359.474 0.677 10 0 FCAERP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659673397 493243523 /nfs/dbraw/zinc/24/35/23/493243523.db2.gz CUOCQHSMGZVXPK-RYZJOYRSSA-N 2 0 356.470 0.808 10 0 FCAERP C[C@@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000659676889 493246376 /nfs/dbraw/zinc/24/63/76/493246376.db2.gz KTCULMKMFVYRFT-RRCSTGOVSA-N 2 0 354.470 0.653 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC000667034609 493252048 /nfs/dbraw/zinc/25/20/48/493252048.db2.gz QBNIVQVDQQDBLJ-MRXNPFEDSA-N 2 0 368.526 0.459 10 0 FCAERP CC(C)[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[NH+]1CCCCCC1 ZINC000659686450 493252407 /nfs/dbraw/zinc/25/24/07/493252407.db2.gz YWQURPAERFLIIO-KOHRHEQBSA-N 2 0 350.507 0.953 10 0 FCAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659686526 493252533 /nfs/dbraw/zinc/25/25/33/493252533.db2.gz DWIQRCKRKPBTKB-GNZRSQJKSA-N 2 0 356.470 0.635 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC[C@H]1F ZINC000659689507 493254169 /nfs/dbraw/zinc/25/41/69/493254169.db2.gz BTPVCGULGFGOGH-HZPDHXFCSA-N 2 0 363.437 0.060 10 0 FCAERP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000659689727 493255573 /nfs/dbraw/zinc/25/55/73/493255573.db2.gz JABMGXHCHBQFSK-HZPDHXFCSA-N 2 0 366.437 0.141 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CCC1 ZINC000659693760 493256928 /nfs/dbraw/zinc/25/69/28/493256928.db2.gz KHIOIJMRZNJOGK-MRXNPFEDSA-N 2 0 350.507 0.825 10 0 FCAERP C[C@@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659697104 493258521 /nfs/dbraw/zinc/25/85/21/493258521.db2.gz OVLKPADTBANIJY-BQSYYEAHSA-N 2 0 370.497 0.963 10 0 FCAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659698351 493259308 /nfs/dbraw/zinc/25/93/08/493259308.db2.gz JIGZUYGTKJCJEB-CAOSSQGBSA-N 2 0 356.486 0.758 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC000659699650 493260094 /nfs/dbraw/zinc/26/00/94/493260094.db2.gz RHWVNPQHNHEYBV-BRWVUGGUSA-N 2 0 362.449 0.522 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)C1=CC[N@H+](C)CC1 ZINC000659701401 493261504 /nfs/dbraw/zinc/26/15/04/493261504.db2.gz DLHICCIXRMLXOU-MAUKXSAKSA-N 2 0 362.518 0.991 10 0 FCAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659702005 493262705 /nfs/dbraw/zinc/26/27/05/493262705.db2.gz KPKBWXDQFFCYCL-KZNAEPCWSA-N 2 0 362.518 0.968 10 0 FCAERP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000659704010 493263182 /nfs/dbraw/zinc/26/31/82/493263182.db2.gz GSZKHCRLAWTKJO-UHFFFAOYSA-N 2 0 357.458 0.364 10 0 FCAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659703532 493263572 /nfs/dbraw/zinc/26/35/72/493263572.db2.gz CBUDDPAIQIFYSH-WBVHZDCISA-N 2 0 362.518 0.825 10 0 FCAERP CC1[C@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000667182066 493264655 /nfs/dbraw/zinc/26/46/55/493264655.db2.gz UAZDKINKLGCIFI-KNCCTNLNSA-N 2 0 360.502 0.574 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000659713946 493268472 /nfs/dbraw/zinc/26/84/72/493268472.db2.gz RUHWKLFUCUEVLR-SJORKVTESA-N 2 0 362.474 0.372 10 0 FCAERP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659718292 493270430 /nfs/dbraw/zinc/27/04/30/493270430.db2.gz OLQNOCXPGLZNST-NVXWUHKLSA-N 2 0 358.486 0.868 10 0 FCAERP CCC([NH3+])(CC)CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659721875 493271863 /nfs/dbraw/zinc/27/18/63/493271863.db2.gz CUYINVYCOHHZDK-UHFFFAOYSA-N 2 0 368.522 0.627 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659721472 493272016 /nfs/dbraw/zinc/27/20/16/493272016.db2.gz GPLBYOUGMFMWEE-YJBOKZPZSA-N 2 0 373.501 0.524 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000659727218 493274258 /nfs/dbraw/zinc/27/42/58/493274258.db2.gz IZEHCIBGCDVORV-MWDXBVQZSA-N 2 0 366.506 0.060 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000659727221 493274610 /nfs/dbraw/zinc/27/46/10/493274610.db2.gz IZEHCIBGCDVORV-YYIAUSFCSA-N 2 0 366.506 0.060 10 0 FCAERP 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ZINC000682293960 493288593 /nfs/dbraw/zinc/28/85/93/493288593.db2.gz BYVZQWQKYUYORM-GOEBONIOSA-N 2 0 362.478 0.326 10 0 FCAERP CCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000668511944 493368124 /nfs/dbraw/zinc/36/81/24/493368124.db2.gz NOIUMYWRCXFXPF-KRWDZBQOSA-N 2 0 367.538 0.073 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660652939 493370032 /nfs/dbraw/zinc/37/00/32/493370032.db2.gz MVWVGVFJOWWUTG-AZUAARDMSA-N 2 0 366.550 0.877 10 0 FCAERP C(=C/C[N@@H+]1CC[C@@H](Cn2ccnn2)C1)\C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143368 493411971 /nfs/dbraw/zinc/41/19/71/493411971.db2.gz UBGRGVBBHJIHJJ-KVHJKKSTSA-N 2 0 356.478 0.770 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[N@H+](C)C1CC1 ZINC000668796692 493412768 /nfs/dbraw/zinc/41/27/68/493412768.db2.gz ZRWCRSPPLFSWLW-ZBFHGGJFSA-N 2 0 354.495 0.155 10 0 FCAERP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000661222423 493419654 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356.470 0.988 10 0 FCAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000676088954 493522825 /nfs/dbraw/zinc/52/28/25/493522825.db2.gz FRFCVOYGFJLKTE-JKSUJKDBSA-N 2 0 354.414 0.949 10 0 FCAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676099219 493525156 /nfs/dbraw/zinc/52/51/56/493525156.db2.gz LZOSQGKHJKPDDQ-INIZCTEOSA-N 2 0 374.445 0.679 10 0 FCAERP CN(CCCn1ccnc1)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676100825 493525231 /nfs/dbraw/zinc/52/52/31/493525231.db2.gz OGYGWMPWWAGYBL-UHFFFAOYSA-N 2 0 353.386 0.951 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662709573 493533898 /nfs/dbraw/zinc/53/38/98/493533898.db2.gz CBWPIYZFRLODCP-LBPRGKRZSA-N 2 0 351.451 0.541 10 0 FCAERP CC[NH+]1CCN(c2ccc(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)cc2)CC1 ZINC000662753640 493538448 /nfs/dbraw/zinc/53/84/48/493538448.db2.gz ULVOPTPWJNIPEL-UHFFFAOYSA-N 2 0 370.457 0.713 10 0 FCAERP 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C[C@@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+]1CC(C)(C)O ZINC000187411456 534311354 /nfs/dbraw/zinc/31/13/54/534311354.db2.gz HXUXTEMIBLXTTQ-MRXNPFEDSA-N 2 0 356.511 0.585 10 0 FCAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000419852419 536473846 /nfs/dbraw/zinc/47/38/46/536473846.db2.gz QQIGGNVRYHXAKQ-QZTJIDSGSA-N 2 0 373.501 0.620 10 0 FCAERP CC[NH+]1CCC(CCNC(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)CC1 ZINC000413326835 528961891 /nfs/dbraw/zinc/96/18/91/528961891.db2.gz WWHQLPSUHMKSHW-MRXNPFEDSA-N 2 0 354.495 0.855 10 0 FCAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)CC1 ZINC000409450361 528992261 /nfs/dbraw/zinc/99/22/61/528992261.db2.gz OGLZMAUGSZBEII-IBGZPJMESA-N 2 0 354.539 0.170 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000419147768 535076164 /nfs/dbraw/zinc/07/61/64/535076164.db2.gz IGNHNVROMNDHOE-SJORKVTESA-N 2 0 352.523 0.977 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)cn1 ZINC000120170502 546511145 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350.507 0.822 10 0 FCAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896624095 665100554 /nfs/dbraw/zinc/10/05/54/665100554.db2.gz MDWRIQDDINBHAN-UHFFFAOYSA-N 3 0 354.539 0.829 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925173311 665178207 /nfs/dbraw/zinc/17/82/07/665178207.db2.gz XGYQSDMTMLCVRK-QLFBSQMISA-N 2 0 369.535 0.328 10 0 FCAERP CN1CC[N@H+](C)CC(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000906123046 666048364 /nfs/dbraw/zinc/04/83/64/666048364.db2.gz ARWYNQPYTLXJSQ-UHFFFAOYSA-N 2 0 354.564 0.958 10 0 FCAERP CC(C)C[C@H](NC(=O)C12CC[NH+](CC1)C2)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000908370741 666203153 /nfs/dbraw/zinc/20/31/53/666203153.db2.gz WMBUGZBIJIZMRM-HOTGVXAUSA-N 2 0 350.507 0.776 10 0 FCAERP CC(C)[N@H+](CCO)CC1CCN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC1 ZINC000910879260 666286913 /nfs/dbraw/zinc/28/69/13/666286913.db2.gz NUIYDHLNEYZSPH-IBGZPJMESA-N 2 0 355.523 0.775 10 0 FCAERP CCN1CCC([NH+]2CCC(C(=O)N(C)CC[N@H+](C)CCO)CC2)CC1 ZINC000912603818 666460711 /nfs/dbraw/zinc/46/07/11/666460711.db2.gz MMTOHMQSQLJCSP-UHFFFAOYSA-N 2 0 354.539 0.565 10 0 FCAERP O=C(CSCC(=O)N1CC[C@@H]([NH+]2CCC2)C1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912916855 666485670 /nfs/dbraw/zinc/48/56/70/666485670.db2.gz AYEGUJWWWQNCCU-HZPDHXFCSA-N 2 0 366.531 0.333 10 0 FCAERP COc1cc(OC)nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000913436300 666526595 /nfs/dbraw/zinc/52/65/95/666526595.db2.gz GZNUTOIBWBUZCA-CHWSQXEVSA-N 2 0 351.451 0.305 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CN2CSCCSC2)C[C@H]1C[NH+](C)C ZINC000913437131 666526620 /nfs/dbraw/zinc/52/66/20/666526620.db2.gz OSZCAMJYUQBMGF-HUUCEWRRSA-N 2 0 360.593 0.881 10 0 FCAERP CN(CCN(C)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)C1CC[NH+](C)CC1 ZINC000913942162 666671452 /nfs/dbraw/zinc/67/14/52/666671452.db2.gz CDTZVNCZVGQPQC-SFHVURJKSA-N 2 0 372.579 0.760 10 0 FCAERP COc1ncc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000918536643 667124407 /nfs/dbraw/zinc/12/44/07/667124407.db2.gz JCMCKHXUPITOTI-VXGBXAGGSA-N 2 0 362.521 0.512 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000754402685 667595814 /nfs/dbraw/zinc/59/58/14/667595814.db2.gz MAUXBTDPMSGRHC-JKSUJKDBSA-N 2 0 356.511 0.488 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000754402683 667595891 /nfs/dbraw/zinc/59/58/91/667595891.db2.gz MAUXBTDPMSGRHC-HOTGVXAUSA-N 2 0 356.511 0.488 10 0 FCAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](O)CS(C)(=O)=O)CC1 ZINC000922820418 667684786 /nfs/dbraw/zinc/68/47/86/667684786.db2.gz FCYQMFONFMRHOQ-KRWDZBQOSA-N 2 0 369.531 0.714 10 0 FCAERP C(CN1CC[NH2+]CCN(CC[C@@H]2CCC[NH2+]C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000923393961 667830658 /nfs/dbraw/zinc/83/06/58/667830658.db2.gz ANACBMZIRHUBGU-PMACEKPBSA-N 3 0 351.583 0.973 10 0 FCAERP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000923406744 667832472 /nfs/dbraw/zinc/83/24/72/667832472.db2.gz ZURRQURBYWTPBW-QLFBSQMISA-N 2 0 369.535 0.205 10 0 FCAERP O=C(Nc1ccc(F)cc1)c1nnc(CN2CC[NH2+]CC[NH2+]CC2)s1 ZINC000923461727 667838136 /nfs/dbraw/zinc/83/81/36/667838136.db2.gz SYVRAQLIPFTJGW-UHFFFAOYSA-N 2 0 364.450 0.924 10 0 FCAERP O=S(=O)(C1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1)N1CCCCC1 ZINC000923550538 667848815 /nfs/dbraw/zinc/84/88/15/667848815.db2.gz YSDZFAKBJMDUDL-OAHLLOKOSA-N 2 0 357.520 0.645 10 0 FCAERP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000780848967 668490754 /nfs/dbraw/zinc/49/07/54/668490754.db2.gz IBOKBASQIPQGSY-UHFFFAOYSA-N 2 0 369.535 0.940 10 0 FCAERP CN(C[C@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000819064420 668976281 /nfs/dbraw/zinc/97/62/81/668976281.db2.gz XFNWCTYNQWANLY-OAHLLOKOSA-N 2 0 358.527 0.830 10 0 FCAERP CN1CC[NH+](C[C@@H](O)CNc2ccc(OCC[NH+](C)C)c(F)c2)CC1 ZINC000819491996 669006642 /nfs/dbraw/zinc/00/66/42/669006642.db2.gz UNKPUDOMXMSIRI-INIZCTEOSA-N 2 0 354.470 0.786 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000840824397 670520530 /nfs/dbraw/zinc/52/05/30/670520530.db2.gz XJYIIRCLBDMRRA-JKSUJKDBSA-N 2 0 367.563 0.632 10 0 FCAERP CC[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867276844 670614256 /nfs/dbraw/zinc/61/42/56/670614256.db2.gz AUERBCXABBLECO-BRWVUGGUSA-N 2 0 352.523 0.975 10 0 FCAERP CN1CCC(CNC(=O)CO[C@@H]2CCC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000844192286 670908916 /nfs/dbraw/zinc/90/89/16/670908916.db2.gz YLHZAXHJIYVRSZ-QGZVFWFLSA-N 2 0 352.523 0.822 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000846335588 671102752 /nfs/dbraw/zinc/10/27/52/671102752.db2.gz QAMKQNOPCVPNSF-HNNXBMFYSA-N 2 0 354.495 0.204 10 0 FCAERP C[NH+](C)C1CC(NC(=O)[C@@H]2CC[C@H](C(=O)NC3CC([NH+](C)C)C3)C2)C1 ZINC000857227819 671720883 /nfs/dbraw/zinc/72/08/83/671720883.db2.gz VBXRDYNEPXWVPQ-YQRXVMAFSA-N 2 0 350.507 0.820 10 0 FCAERP Cc1noc(C)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903560946 675944444 /nfs/dbraw/zinc/94/44/44/675944444.db2.gz FDXOYSAZZUWPLL-GASCZTMLSA-N 2 0 354.476 0.881 10 0 FCAERP [NH3+]CCCCCCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861647408 671977428 /nfs/dbraw/zinc/97/74/28/671977428.db2.gz AWBSIYQEAZMXRT-CABCVRRESA-N 2 0 353.467 0.472 10 0 FCAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C[NH2+]1 ZINC000861689771 671981129 /nfs/dbraw/zinc/98/11/29/671981129.db2.gz GCNHKQUWAOLPHV-GBOPCIDUSA-N 2 0 351.451 0.094 10 0 FCAERP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903719595 675963543 /nfs/dbraw/zinc/96/35/43/675963543.db2.gz PCGYRSJPPYXDDL-QWHCGFSZSA-N 2 0 366.428 0.771 10 0 FCAERP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903737420 675965564 /nfs/dbraw/zinc/96/55/64/675965564.db2.gz AFEFIFVRQDIDSP-CHWSQXEVSA-N 2 0 364.412 0.525 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@H]1C ZINC000903747122 675966874 /nfs/dbraw/zinc/96/68/74/675966874.db2.gz JOVCAZFLQFDFIG-YVECIDJPSA-N 2 0 364.412 0.666 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000903746717 675966992 /nfs/dbraw/zinc/96/69/92/675966992.db2.gz FNHNIVNZWJBIRF-UMSGYPCISA-N 2 0 364.412 0.523 10 0 FCAERP C([C@@H]1CCCC[NH2+]C1)N1CC[NH2+]CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903765669 675970510 /nfs/dbraw/zinc/97/05/10/675970510.db2.gz JYGCECRZQVZDFG-BGYRXZFFSA-N 3 0 351.583 0.973 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903766778 675970704 /nfs/dbraw/zinc/97/07/04/675970704.db2.gz HHHVDEIXRFCEKD-TUAOUCFPSA-N 2 0 350.385 0.277 10 0 FCAERP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903759245 675969176 /nfs/dbraw/zinc/96/91/76/675969176.db2.gz NGSNVMPGTZAREL-NWDGAFQWSA-N 2 0 350.385 0.277 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[C@H]1CC[NH3+] ZINC000903758678 675969186 /nfs/dbraw/zinc/96/91/86/675969186.db2.gz JEQFRKMODFLBJT-DJIMGWMZSA-N 2 0 350.507 0.620 10 0 FCAERP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903761689 675969605 /nfs/dbraw/zinc/96/96/05/675969605.db2.gz AGSQDCCTNYVHCM-VXGBXAGGSA-N 2 0 350.385 0.323 10 0 FCAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903763420 675970007 /nfs/dbraw/zinc/97/00/07/675970007.db2.gz RQLTXNCYNNFNOP-IJLUTSLNSA-N 2 0 350.385 0.276 10 0 FCAERP C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H]1C ZINC000867488651 672324319 /nfs/dbraw/zinc/32/43/19/672324319.db2.gz BEDREIVLCSPFIG-YLFCFFPRSA-N 2 0 352.523 0.689 10 0 FCAERP C[C@@H]1CCSCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867492441 672325247 /nfs/dbraw/zinc/32/52/47/672325247.db2.gz HDSKRUJYUYSFGL-BZUAXINKSA-N 2 0 370.563 0.538 10 0 FCAERP C[C@H]1SCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H]1C ZINC000867491674 672325327 /nfs/dbraw/zinc/32/53/27/672325327.db2.gz SSRMZOLUFPTFKK-ZJIFWQFVSA-N 2 0 370.563 0.537 10 0 FCAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000867524930 672331063 /nfs/dbraw/zinc/33/10/63/672331063.db2.gz RGNAYVKKJCCENM-YESZJQIVSA-N 2 0 350.507 0.872 10 0 FCAERP COC1CCN(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000867590298 672343458 /nfs/dbraw/zinc/34/34/58/672343458.db2.gz NSWYZISFLURFNO-HUUCEWRRSA-N 2 0 362.540 0.013 10 0 FCAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000868369402 672396038 /nfs/dbraw/zinc/39/60/38/672396038.db2.gz YVGDEKJCAKATBJ-HNAYVOBHSA-N 2 0 350.507 0.907 10 0 FCAERP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC[NH2+]1 ZINC000868387342 672397649 /nfs/dbraw/zinc/39/76/49/672397649.db2.gz BECXFTWAGMNSMU-MRXNPFEDSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@@H]1CCCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)[C@@H]1C[NH3+] ZINC000868390806 672398219 /nfs/dbraw/zinc/39/82/19/672398219.db2.gz QHTVHRBXGVGOOX-HZPDHXFCSA-N 2 0 350.507 0.907 10 0 FCAERP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000868404647 672398975 /nfs/dbraw/zinc/39/89/75/672398975.db2.gz JXWPDNNUVYRDQZ-UHFFFAOYSA-N 2 0 350.507 0.921 10 0 FCAERP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000868418523 672399766 /nfs/dbraw/zinc/39/97/66/672399766.db2.gz KEFDRWXMFLURJB-DLBZAZTESA-N 2 0 350.507 0.920 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C[C@H]1C[NH+](C)C ZINC000870023987 672462447 /nfs/dbraw/zinc/46/24/47/672462447.db2.gz FNPXZTZGPKYSAN-HZPDHXFCSA-N 2 0 367.515 0.902 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871815718 672574769 /nfs/dbraw/zinc/57/47/69/672574769.db2.gz PYRGDWBXAKRXER-GOEBONIOSA-N 2 0 355.508 0.292 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000872186583 672596888 /nfs/dbraw/zinc/59/68/88/672596888.db2.gz LWRVYYIYUUNFBA-XQQFMLRXSA-N 2 0 364.412 0.525 10 0 FCAERP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872189388 672598370 /nfs/dbraw/zinc/59/83/70/672598370.db2.gz GSAONQWFKUGPTK-QWHCGFSZSA-N 2 0 364.412 0.526 10 0 FCAERP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872193226 672601054 /nfs/dbraw/zinc/60/10/54/672601054.db2.gz SEZVUYXQPTUAFS-DGCLKSJQSA-N 2 0 364.412 0.571 10 0 FCAERP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925165573 673780542 /nfs/dbraw/zinc/78/05/42/673780542.db2.gz TXAPGHIYBLYWBM-BZUAXINKSA-N 2 0 356.536 0.712 10 0 FCAERP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3CC[NH2+]C34CCC4)CC2)cn1 ZINC000925581437 673794245 /nfs/dbraw/zinc/79/42/45/673794245.db2.gz RPPAWZRNMYUKQB-HNNXBMFYSA-N 2 0 353.492 0.447 10 0 FCAERP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000926400041 673830035 /nfs/dbraw/zinc/83/00/35/673830035.db2.gz XEWQOXIXJCPTHY-JKSUJKDBSA-N 2 0 350.507 0.907 10 0 FCAERP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000926400038 673830081 /nfs/dbraw/zinc/83/00/81/673830081.db2.gz XEWQOXIXJCPTHY-CVEARBPZSA-N 2 0 350.507 0.907 10 0 FCAERP CCO[C@@H](CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C[NH+](C)C ZINC000926837849 673844407 /nfs/dbraw/zinc/84/44/07/673844407.db2.gz WKBVIVAJLXETHX-SJORKVTESA-N 2 0 355.527 0.375 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927633322 673871418 /nfs/dbraw/zinc/87/14/18/673871418.db2.gz NTSIOWDUYVVGAN-KRWDZBQOSA-N 2 0 355.527 0.422 10 0 FCAERP CCO[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)C[NH+](C)C ZINC000929174158 673942346 /nfs/dbraw/zinc/94/23/46/673942346.db2.gz ZLSKKAWTCKPJBY-OAHLLOKOSA-N 2 0 356.511 0.450 10 0 FCAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000929693694 673972198 /nfs/dbraw/zinc/97/21/98/673972198.db2.gz CUWIOQACBSFJOE-JKSUJKDBSA-N 2 0 350.507 0.920 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000929947905 673987144 /nfs/dbraw/zinc/98/71/44/673987144.db2.gz JMNZLKKDPTYXGW-HNNXBMFYSA-N 2 0 356.511 0.260 10 0 FCAERP C[C@H](CNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)[NH+](C)C[C@@H]1CCC[C@H]1O ZINC000930097369 673997637 /nfs/dbraw/zinc/99/76/37/673997637.db2.gz PVKLJLDXMIJDMS-RSJGLCBASA-N 2 0 355.523 0.677 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)C(C)(C)C ZINC000930211150 674005341 /nfs/dbraw/zinc/00/53/41/674005341.db2.gz BDRCGJBNFLTZBP-YZVOILCLSA-N 2 0 352.523 0.879 10 0 FCAERP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)C(C)(C)C ZINC000930211147 674005419 /nfs/dbraw/zinc/00/54/19/674005419.db2.gz BDRCGJBNFLTZBP-QMTMVMCOSA-N 2 0 352.523 0.879 10 0 FCAERP C[NH+](C)CCOc1cc(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)ccn1 ZINC000901255545 675777162 /nfs/dbraw/zinc/77/71/62/675777162.db2.gz INUVXQFDBCLNDU-GOSISDBHSA-N 2 0 350.463 0.485 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000897483365 1192181345 /nfs/dbraw/zinc/18/13/45/1192181345.db2.gz AQRYYLPTXZMQIU-HZPDHXFCSA-N 2 0 371.485 0.719 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N(C)Cc3ccco3)C2)CC[N@@H+]1C ZINC001266527481 1169082580 /nfs/dbraw/zinc/08/25/80/1169082580.db2.gz VNTZDLIYVYGARE-HLLBOEOZSA-N 2 0 362.474 0.769 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001671298340 1169371511 /nfs/dbraw/zinc/37/15/11/1169371511.db2.gz QHUJDEVGXUJQKM-HYVNUMGLSA-N 2 0 366.506 0.202 10 0 FCAERP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000581477966 1170364561 /nfs/dbraw/zinc/36/45/61/1170364561.db2.gz QKLPDTWWFKPBQW-GOSISDBHSA-N 2 0 358.486 0.935 10 0 FCAERP Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCOCC[NH+](C)C ZINC001707913325 1171367737 /nfs/dbraw/zinc/36/77/37/1171367737.db2.gz YHEFDAMCNUKEFF-UHFFFAOYSA-N 2 0 366.510 0.466 10 0 FCAERP CNC(=O)[C@@H](C)[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001267096458 1171752630 /nfs/dbraw/zinc/75/26/30/1171752630.db2.gz PVTOCXFZLZZYJE-IIDMSEBBSA-N 2 0 360.502 0.910 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001267129798 1171862679 /nfs/dbraw/zinc/86/26/79/1171862679.db2.gz XPBBQVGCKXUCBH-HYVNUMGLSA-N 2 0 368.522 0.496 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001267167993 1172003626 /nfs/dbraw/zinc/00/36/26/1172003626.db2.gz LTDAFIQGHWUSSH-QLFBSQMISA-N 2 0 367.494 0.272 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001267167994 1172004062 /nfs/dbraw/zinc/00/40/62/1172004062.db2.gz LTDAFIQGHWUSSH-SOUVJXGZSA-N 2 0 367.494 0.272 10 0 FCAERP C[C@@H]([NH2+]CCN1CCNC1=O)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267185771 1172066998 /nfs/dbraw/zinc/06/69/98/1172066998.db2.gz SAKGFQROOGVJCL-BFYDXBDKSA-N 2 0 365.522 0.569 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NCc2cccnc2)CC[N@@H+]1C ZINC001483009737 1192700971 /nfs/dbraw/zinc/70/09/71/1192700971.db2.gz WZOFVVWZQHPCRR-GILVVUIESA-N 2 0 359.474 0.300 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000897559286 1192809570 /nfs/dbraw/zinc/80/95/70/1192809570.db2.gz GSVMZRIQMPTNKM-HUUCEWRRSA-N 2 0 357.458 0.472 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)C1 ZINC001719730986 1179820993 /nfs/dbraw/zinc/82/09/93/1179820993.db2.gz GMRVXDQEGSGYEG-BRWVUGGUSA-N 2 0 352.523 0.881 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001719735843 1179839635 /nfs/dbraw/zinc/83/96/35/1179839635.db2.gz FSDKMZLPQHLERZ-GVDBMIGSSA-N 2 0 352.523 0.881 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001719755692 1179890577 /nfs/dbraw/zinc/89/05/77/1179890577.db2.gz XSQIGMFSEDYAIH-ZACQAIPSSA-N 2 0 352.523 0.881 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NCc2cccnc2)CC[N@@H+]1C ZINC001267375213 1180095962 /nfs/dbraw/zinc/09/59/62/1180095962.db2.gz ZIDUYUDRCBBFCI-DLBZAZTESA-N 2 0 361.490 0.476 10 0 FCAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCN1C(=O)CCC1=O ZINC001481136582 1182445126 /nfs/dbraw/zinc/44/51/26/1182445126.db2.gz ITMMSCGXGKVXHN-HUUCEWRRSA-N 2 0 352.479 0.304 10 0 FCAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)Nc1cc(C)on1 ZINC001481812516 1187539647 /nfs/dbraw/zinc/53/96/47/1187539647.db2.gz OAVXJUVXTBRKIC-HZSPNIEDSA-N 2 0 351.451 0.746 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000937304873 1187641235 /nfs/dbraw/zinc/64/12/35/1187641235.db2.gz MAIUAPRFMRCYDG-XLAORIBOSA-N 2 0 362.518 0.870 10 0 FCAERP CN(C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550034400 1188213361 /nfs/dbraw/zinc/21/33/61/1188213361.db2.gz LNZPOCWHVCCMLM-MOPGFXCFSA-N 2 0 372.513 0.971 10 0 FCAERP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCN1CCOCC1)[NH+](C)C ZINC001719866206 1188365529 /nfs/dbraw/zinc/36/55/29/1188365529.db2.gz HHVBAUGLOVMAKM-QZWWFDLISA-N 2 0 366.506 0.297 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001270968856 1189454058 /nfs/dbraw/zinc/45/40/58/1189454058.db2.gz VPUPGTPMOYDDJM-SOUVJXGZSA-N 2 0 362.478 0.582 10 0 FCAERP C[C@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1C[N@H+](C)CCN1C ZINC000896528783 1190072597 /nfs/dbraw/zinc/07/25/97/1190072597.db2.gz UTLUHKGQIHIGOK-SOUVJXGZSA-N 2 0 371.526 0.192 10 0 FCAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001719919043 1191212697 /nfs/dbraw/zinc/21/26/97/1191212697.db2.gz IYQJROCUAVGORE-HZMVEIRTSA-N 2 0 350.507 0.918 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000550785224 1193792605 /nfs/dbraw/zinc/79/26/05/1193792605.db2.gz QGNPKJLZPLPAPG-SJORKVTESA-N 2 0 368.522 0.404 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000552939544 1193959800 /nfs/dbraw/zinc/95/98/00/1193959800.db2.gz PAUMTUNKIFMIGA-GVDBMIGSSA-N 2 0 366.506 0.156 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000553238950 1193980424 /nfs/dbraw/zinc/98/04/24/1193980424.db2.gz PKVQTFFDAFLEFX-OALUTQOASA-N 2 0 360.502 0.548 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)[C@H](C)C1 ZINC000842228745 1194108376 /nfs/dbraw/zinc/10/83/76/1194108376.db2.gz AVEZIQXTZJMNEB-QAPCUYQASA-N 2 0 360.502 0.993 10 0 FCAERP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908135869 1195724557 /nfs/dbraw/zinc/72/45/57/1195724557.db2.gz ZNNJBAMXRHIQAA-TZIWHRDSSA-N 2 0 374.529 0.718 10 0 FCAERP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000929404772 1196748352 /nfs/dbraw/zinc/74/83/52/1196748352.db2.gz YLRBSQCURFIHHJ-QGZVFWFLSA-N 2 0 366.506 0.204 10 0 FCAERP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCC[C@@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913628668 1197093307 /nfs/dbraw/zinc/09/33/07/1197093307.db2.gz NIPYNFONFZYNEI-HZPDHXFCSA-N 2 0 360.502 0.722 10 0 FCAERP C[NH+]1CCC(CC(=O)NC[C@H](CO)NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000913917371 1197161712 /nfs/dbraw/zinc/16/17/12/1197161712.db2.gz BRXBGROFCACKRX-QGZVFWFLSA-N 2 0 368.522 0.044 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCNC(=O)CC1 ZINC000815163919 1203031367 /nfs/dbraw/zinc/03/13/67/1203031367.db2.gz XRQDOHPGBUNJCX-INIZCTEOSA-N 2 0 359.474 0.626 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001135753457 1203082670 /nfs/dbraw/zinc/08/26/70/1203082670.db2.gz KSBRPCPQHGFXMA-NRFANRHFSA-N 2 0 374.529 0.719 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000818945925 1203146784 /nfs/dbraw/zinc/14/67/84/1203146784.db2.gz UWSJIEPILGXJEQ-LJQANCHMSA-N 2 0 360.502 0.621 10 0 FCAERP Cc1cc(C)c(N2CC[C@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2=O)c(C)c1 ZINC000819257572 1203152931 /nfs/dbraw/zinc/15/29/31/1203152931.db2.gz DSDGRGWQKPYQIC-OALUTQOASA-N 2 0 374.529 0.915 10 0 FCAERP COc1ccc(C2=NO[C@@H](C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2)cc1 ZINC000819292823 1203153611 /nfs/dbraw/zinc/15/36/11/1203153611.db2.gz LDMNJNMHNIXYHT-SJLPKXTDSA-N 2 0 362.474 0.386 10 0 FCAERP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000819268513 1203154411 /nfs/dbraw/zinc/15/44/11/1203154411.db2.gz RUGROXQQAUWKMC-IKGGRYGDSA-N 2 0 370.538 0.972 10 0 FCAERP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000819266216 1203154519 /nfs/dbraw/zinc/15/45/19/1203154519.db2.gz XLOFHSDZRAJNDF-IXDOHACOSA-N 2 0 370.538 0.830 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC[C@@H](O)C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000819396092 1203155803 /nfs/dbraw/zinc/15/58/03/1203155803.db2.gz YMHUETRGJUDCPF-HXUWFJFHSA-N 2 0 361.534 0.849 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000819368820 1203156231 /nfs/dbraw/zinc/15/62/31/1203156231.db2.gz RGJIZNCCSUDEKE-GOSISDBHSA-N 2 0 362.474 0.205 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000820075426 1203179228 /nfs/dbraw/zinc/17/92/28/1203179228.db2.gz WSRKPRMSPYGSQI-RCCFBDPRSA-N 2 0 369.554 0.499 10 0 FCAERP COC[C@]1(c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)CC[NH2+]C1 ZINC000822980891 1203241805 /nfs/dbraw/zinc/24/18/05/1203241805.db2.gz QAKSLKFMINWFHJ-SFHVURJKSA-N 2 0 358.446 0.761 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3C2)C[C@H]1C[NH+](C)C ZINC000867276415 1208259942 /nfs/dbraw/zinc/25/99/42/1208259942.db2.gz PNCMYIXDXWFCKF-RTBURBONSA-N 2 0 372.513 0.769 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)CC[C@H]21 ZINC000867337799 1208380439 /nfs/dbraw/zinc/38/04/39/1208380439.db2.gz MCLXDJKHNYDNHL-ZWKOTPCHSA-N 2 0 362.518 0.873 10 0 FCAERP C[C@@H](c1ccco1)N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867336474 1208382875 /nfs/dbraw/zinc/38/28/75/1208382875.db2.gz SNDXOBUSAPPDRJ-ARFHVFGLSA-N 2 0 364.490 0.997 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867421213 1208472843 /nfs/dbraw/zinc/47/28/43/1208472843.db2.gz QWMCVYVDPDWUPH-YESZJQIVSA-N 2 0 366.506 0.108 10 0 FCAERP CN1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C2)C1 ZINC001488903903 1208562859 /nfs/dbraw/zinc/56/28/59/1208562859.db2.gz RRJZZBGMBBHNER-XHSDSOJGSA-N 2 0 368.522 0.354 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001488912738 1208566053 /nfs/dbraw/zinc/56/60/53/1208566053.db2.gz YOEGLAWMNOZCQQ-JYYAWHABSA-N 2 0 350.507 0.822 10 0 FCAERP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC001488967738 1208590141 /nfs/dbraw/zinc/59/01/41/1208590141.db2.gz DLFKELWWYDOZPP-FGTMMUONSA-N 2 0 363.506 0.726 10 0 FCAERP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001488968318 1208590557 /nfs/dbraw/zinc/59/05/57/1208590557.db2.gz NBYFBSFEYKEOOL-HRCADAONSA-N 2 0 364.494 0.158 10 0 FCAERP COCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001489207748 1208672094 /nfs/dbraw/zinc/67/20/94/1208672094.db2.gz GUFVPVCGPGOWGS-KSZLIROESA-N 2 0 353.507 0.772 10 0 FCAERP CCCC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001489207702 1208672881 /nfs/dbraw/zinc/67/28/81/1208672881.db2.gz YBBZRTKXAROQDG-IKGGRYGDSA-N 2 0 362.518 0.907 10 0 FCAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1OC ZINC001489526065 1208880847 /nfs/dbraw/zinc/88/08/47/1208880847.db2.gz HDGUENGWTWKWPS-IXDOHACOSA-N 2 0 368.522 0.545 10 0 FCAERP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001489526620 1208881219 /nfs/dbraw/zinc/88/12/19/1208881219.db2.gz BXWOTZOMNMMQLR-HZPDHXFCSA-N 2 0 354.495 0.010 10 0 FCAERP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1O ZINC001489608491 1208966288 /nfs/dbraw/zinc/96/62/88/1208966288.db2.gz DVMMVKOTOCAZFF-SOLBZPMBSA-N 2 0 368.522 0.137 10 0 FCAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001489653169 1209039918 /nfs/dbraw/zinc/03/99/18/1209039918.db2.gz JKCVCQVQGPYYEY-IXDOHACOSA-N 2 0 350.507 0.872 10 0 FCAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)CC[N@@H+]1C ZINC001489670188 1209081118 /nfs/dbraw/zinc/08/11/18/1209081118.db2.gz VGQFCEVSXIPHIF-MWDXBVQZSA-N 2 0 350.507 0.728 10 0 FCAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)C1 ZINC001490458831 1209364890 /nfs/dbraw/zinc/36/48/90/1209364890.db2.gz GKQZLJWYRVFAEE-GVDBMIGSSA-N 2 0 352.523 0.881 10 0 FCAERP CC(C)[N@H+](C)CC(=O)NC[C@]1(C)CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001490528225 1209366531 /nfs/dbraw/zinc/36/65/31/1209366531.db2.gz HIWXWMMMECAZBY-GPMSIDNRSA-N 2 0 368.522 0.401 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000850856939 1209492622 /nfs/dbraw/zinc/49/26/22/1209492622.db2.gz JEJQNQIEKURJNK-OAHLLOKOSA-N 2 0 361.490 0.867 10 0 FCAERP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2=NO[C@@H](C[NH3+])C2)c1 ZINC000852859088 1209568476 /nfs/dbraw/zinc/56/84/76/1209568476.db2.gz OILYPESDFWPBNF-OAHLLOKOSA-N 2 0 361.446 0.800 10 0 FCAERP CN(C[C@H]1CCC[N@@H+]1C)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852921428 1209577888 /nfs/dbraw/zinc/57/78/88/1209577888.db2.gz MOYZUCZRFRONRL-IAGOWNOFSA-N 2 0 361.538 0.940 10 0 FCAERP CC1[C@H](C(=O)NOC2CC[NH+](C)CC2)[C@H]1C(=O)NOC1CC[NH+](C)CC1 ZINC000854357603 1209623351 /nfs/dbraw/zinc/62/33/51/1209623351.db2.gz CUZKRGUDOURWOH-HOTGVXAUSA-N 2 0 368.478 0.153 10 0 FCAERP CC[N@H+](C)Cc1cc(O[C@H]2CCN(CC(=O)N3CCNC3=O)C2)ccn1 ZINC000856593397 1209716073 /nfs/dbraw/zinc/71/60/73/1209716073.db2.gz SKUGIBIJHXXHJZ-INIZCTEOSA-N 2 0 361.446 0.538 10 0 FCAERP CCn1ncc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000858166819 1209777773 /nfs/dbraw/zinc/77/77/73/1209777773.db2.gz BFNRCQCYPIBDCS-UHFFFAOYSA-N 2 0 372.477 0.705 10 0 FCAERP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861639230 1209873243 /nfs/dbraw/zinc/87/32/43/1209873243.db2.gz BZUZXPIKLGBAMA-BVUBDWEXSA-N 2 0 365.478 0.471 10 0 FCAERP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000861651316 1209873553 /nfs/dbraw/zinc/87/35/53/1209873553.db2.gz NEZREAVVEUEUGB-IMJJTQAJSA-N 2 0 365.478 0.437 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000865058060 1209970433 /nfs/dbraw/zinc/97/04/33/1209970433.db2.gz GAYZISBWALGGFH-ZNMIVQPWSA-N 2 0 370.494 0.421 10 0 FCAERP CN(C[C@H]1CCCOC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867445990 1210006863 /nfs/dbraw/zinc/00/68/63/1210006863.db2.gz GISNZIYFISTGDC-BRWVUGGUSA-N 2 0 368.522 0.069 10 0 FCAERP CN(C[C@@H]1CCCOC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867445991 1210007077 /nfs/dbraw/zinc/00/70/77/1210007077.db2.gz GISNZIYFISTGDC-GVDBMIGSSA-N 2 0 368.522 0.069 10 0 FCAERP CC[C@]1(C)CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000867519580 1210010740 /nfs/dbraw/zinc/01/07/40/1210010740.db2.gz FDMVVRRNVZYWGR-GPMSIDNRSA-N 2 0 368.522 0.212 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000867848747 1210034188 /nfs/dbraw/zinc/03/41/88/1210034188.db2.gz URQKFEMGBZBRAE-KBXCAEBGSA-N 2 0 372.510 0.356 10 0 FCAERP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868231374 1210045324 /nfs/dbraw/zinc/04/53/24/1210045324.db2.gz DTQZHHCKBFWMAA-RRQGHBQHSA-N 2 0 359.474 0.192 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)CC[C@@H]21 ZINC000868308712 1210050869 /nfs/dbraw/zinc/05/08/69/1210050869.db2.gz CXHGNJSIUJLCNR-BBRMVZONSA-N 2 0 360.433 0.963 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)CC[C@H]21 ZINC000868308719 1210051291 /nfs/dbraw/zinc/05/12/91/1210051291.db2.gz CXHGNJSIUJLCNR-CZUORRHYSA-N 2 0 360.433 0.963 10 0 FCAERP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)CC[C@@H]21 ZINC000868387338 1210059200 /nfs/dbraw/zinc/05/92/00/1210059200.db2.gz BCVBULCAVOVGEK-FJIDUMEYSA-N 2 0 356.470 0.492 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC([C@@H]4[NH2+]CC4(C)C)CC3)CC[C@H]21 ZINC000868409796 1210062905 /nfs/dbraw/zinc/06/29/05/1210062905.db2.gz HGZOZNBDBRPAOL-ZACQAIPSSA-N 2 0 362.518 0.776 10 0 FCAERP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868416688 1210063878 /nfs/dbraw/zinc/06/38/78/1210063878.db2.gz BAMCLYZZLZXGJI-SJORKVTESA-N 2 0 366.506 0.299 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC(c3cccnc3)=NO2)C[C@H]1C[NH+](C)C ZINC000870019251 1210099384 /nfs/dbraw/zinc/09/93/84/1210099384.db2.gz AZBDEGGNDXQESO-JFIYKMOQSA-N 2 0 359.474 0.772 10 0 FCAERP C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)n1cnc2c1ncnc2N ZINC000870017440 1210099742 /nfs/dbraw/zinc/09/97/42/1210099742.db2.gz NXZXQJYXHWOKHM-MGPQQGTHSA-N 2 0 374.493 0.167 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)C[C@H]1C[NH+](C)C ZINC000870022116 1210100046 /nfs/dbraw/zinc/10/00/46/1210100046.db2.gz OHXGAOPJFQRKJL-IAGOWNOFSA-N 2 0 358.486 0.922 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ncccn2)C[C@H]1C[NH+](C)C ZINC000870024282 1210100110 /nfs/dbraw/zinc/10/01/10/1210100110.db2.gz XHUARAINJNKYSR-ZACQAIPSSA-N 2 0 360.506 0.643 10 0 FCAERP O=C(CCC12CC(C1)C[NH2+]2)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000870876447 1210121124 /nfs/dbraw/zinc/12/11/24/1210121124.db2.gz BICUFQFGWSKBHH-UHFFFAOYSA-N 2 0 370.497 0.979 10 0 FCAERP [NH3+][C@H](CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000870996386 1210125110 /nfs/dbraw/zinc/12/51/10/1210125110.db2.gz AGEBGNUGMAWISD-VQHPVUNQSA-N 2 0 358.442 0.860 10 0 FCAERP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997579 1210125439 /nfs/dbraw/zinc/12/54/39/1210125439.db2.gz OLMCXFUBLUXMQN-XBVQOTNRSA-N 2 0 356.426 0.267 10 0 FCAERP C[NH+]1CCN(c2ccnc(-c3noc([C@]4(C[NH3+])CCCOC4)n3)c2)CC1 ZINC000872177845 1210174990 /nfs/dbraw/zinc/17/49/90/1210174990.db2.gz OODIYADHRHXEGK-SFHVURJKSA-N 2 0 358.446 0.890 10 0 FCAERP C[NH2+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000872193172 1210177032 /nfs/dbraw/zinc/17/70/32/1210177032.db2.gz RDJKAUIIHUVHLU-BBTUJRGHSA-N 2 0 370.497 0.787 10 0 FCAERP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000872197782 1210179346 /nfs/dbraw/zinc/17/93/46/1210179346.db2.gz WJJAWOMPQPMYFZ-OXFYSEKESA-N 2 0 358.486 0.773 10 0 FCAERP COC(=O)N1CCC(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000875147483 1210342543 /nfs/dbraw/zinc/34/25/43/1210342543.db2.gz JBPNJNKZTBBWGP-HUUCEWRRSA-N 2 0 369.510 0.598 10 0 FCAERP Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000879609012 1210491769 /nfs/dbraw/zinc/49/17/69/1210491769.db2.gz JROPOURWZPRKKK-MOPGFXCFSA-N 2 0 361.486 0.503 10 0 FCAERP O=C(NC1(C[NH2+][C@@H]2CCCNC2=O)CCOCC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001273980115 1210705394 /nfs/dbraw/zinc/70/53/94/1210705394.db2.gz ULMJLAYXOQPHIL-MGPQQGTHSA-N 2 0 361.446 0.047 10 0 FCAERP CNC(=O)[C@H](C)[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001276164362 1211368945 /nfs/dbraw/zinc/36/89/45/1211368945.db2.gz IVFWAUXHRMLZHX-ZMSDIMECSA-N 2 0 368.522 0.448 10 0 FCAERP CC(C)O[C@@]1(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCOC1 ZINC000925766525 1211508327 /nfs/dbraw/zinc/50/83/27/1211508327.db2.gz SMAZYARCUYYMGN-ZHALLVOQSA-N 2 0 370.538 0.951 10 0 FCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000926298178 1211528296 /nfs/dbraw/zinc/52/82/96/1211528296.db2.gz LNYCKRMZVPHACX-CVEARBPZSA-N 2 0 366.506 0.286 10 0 FCAERP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000926324790 1211531512 /nfs/dbraw/zinc/53/15/12/1211531512.db2.gz YEZJHIBUDBTVHC-MRXNPFEDSA-N 2 0 366.506 0.286 10 0 FCAERP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[C@@]4(C3)CCCC[NH2+]4)C2)CC1 ZINC000926363081 1211540101 /nfs/dbraw/zinc/54/01/01/1211540101.db2.gz WIYHDONRWGJKRP-FXAWDEMLSA-N 2 0 362.518 0.921 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000926380107 1211542495 /nfs/dbraw/zinc/54/24/95/1211542495.db2.gz LIHGBRFEHVJSDE-HOTGVXAUSA-N 2 0 366.506 0.284 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[C@H]1C[NH3+] ZINC000926391491 1211544731 /nfs/dbraw/zinc/54/47/31/1211544731.db2.gz NVNHWZKCORHLAC-HOTGVXAUSA-N 2 0 366.506 0.143 10 0 FCAERP O=C(C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000926394375 1211545165 /nfs/dbraw/zinc/54/51/65/1211545165.db2.gz AUZAKVPSLRMEDX-FQEVSTJZSA-N 2 0 371.485 0.911 10 0 FCAERP CCO[C@@H](CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C[NH+](C)C ZINC000926841864 1211556752 /nfs/dbraw/zinc/55/67/52/1211556752.db2.gz NBRHHFDLFWXEQS-SFHVURJKSA-N 2 0 369.554 0.622 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927639506 1211578554 /nfs/dbraw/zinc/57/85/54/1211578554.db2.gz BPHOCXHICVNKNM-MSOLQXFVSA-N 2 0 368.522 0.992 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000927853780 1211585328 /nfs/dbraw/zinc/58/53/28/1211585328.db2.gz RRIWHJOKHNAPJV-AWEZNQCLSA-N 2 0 362.478 0.674 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC000927894734 1211590461 /nfs/dbraw/zinc/59/04/61/1211590461.db2.gz ZZZIGLAYCLZPMF-JKSUJKDBSA-N 2 0 373.501 0.820 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2cccc(C(=O)N[C@H]3CC[N@H+](C)[C@H]3C)n2)CC[NH+]1C ZINC000928429090 1211602217 /nfs/dbraw/zinc/60/22/17/1211602217.db2.gz ZGUNZLILJVXBMR-NMWPEEMBSA-N 2 0 359.474 0.726 10 0 FCAERP CC[NH+]1CCC(NC(=O)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000929197449 1211622595 /nfs/dbraw/zinc/62/25/95/1211622595.db2.gz FJUOABQONTWIRF-QGZVFWFLSA-N 2 0 361.490 0.791 10 0 FCAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000929567308 1211647380 /nfs/dbraw/zinc/64/73/80/1211647380.db2.gz JSRMBRXJDNJCNJ-YESZJQIVSA-N 2 0 364.490 0.099 10 0 FCAERP C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000929746169 1211658432 /nfs/dbraw/zinc/65/84/32/1211658432.db2.gz AKIXELTUQPUJIR-DOTOQJQBSA-N 2 0 359.474 0.544 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)C1CCCC1 ZINC000929996381 1211679986 /nfs/dbraw/zinc/67/99/86/1211679986.db2.gz KEUUSNDFBOHLPY-IAGOWNOFSA-N 2 0 366.506 0.035 10 0 FCAERP CC(C)[C@]1(C(=O)NC[C@@H]2CC[NH+](C)C2)C[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000930361992 1211705510 /nfs/dbraw/zinc/70/55/10/1211705510.db2.gz BDOMFWSAPHTSKN-OGNFBWPZSA-N 2 0 364.534 0.785 10 0 FCAERP C[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)C1=CC[N@H+](C)CC1 ZINC000930652424 1211716426 /nfs/dbraw/zinc/71/64/26/1211716426.db2.gz KHSUJMOWOBAZAS-CRAIPNDOSA-N 2 0 373.501 0.957 10 0 FCAERP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000930818959 1211723920 /nfs/dbraw/zinc/72/39/20/1211723920.db2.gz QJZSOGDRUPYYCK-QGZVFWFLSA-N 2 0 371.441 0.320 10 0 FCAERP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC000931002524 1211733695 /nfs/dbraw/zinc/73/36/95/1211733695.db2.gz OCFSKVDRFHRTSI-QINHECLXSA-N 2 0 362.518 0.920 10 0 FCAERP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC000931002523 1211733803 /nfs/dbraw/zinc/73/38/03/1211733803.db2.gz OCFSKVDRFHRTSI-GUXCAODWSA-N 2 0 362.518 0.920 10 0 FCAERP CC(C)C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)C12CC[NH+](CC1)C2 ZINC000900647023 1218017324 /nfs/dbraw/zinc/01/73/24/1218017324.db2.gz LQWZVVRNJUKFSM-MRXNPFEDSA-N 2 0 362.518 0.825 10 0 FCAERP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cn1 ZINC000900832541 1218044706 /nfs/dbraw/zinc/04/47/06/1218044706.db2.gz VWDHAQVIBAMUJQ-HOTGVXAUSA-N 2 0 362.478 0.516 10 0 FCAERP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000900979239 1218065810 /nfs/dbraw/zinc/06/58/10/1218065810.db2.gz QZQJPWNBTFARHQ-DNVCBOLYSA-N 2 0 368.522 0.184 10 0 FCAERP O=C(NC1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1)C12CC[NH+](CC1)C2 ZINC000901192449 1218090819 /nfs/dbraw/zinc/09/08/19/1218090819.db2.gz COMHCRFVSKUGIL-UHFFFAOYSA-N 2 0 360.502 0.722 10 0 FCAERP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495115 1218426660 /nfs/dbraw/zinc/42/66/60/1218426660.db2.gz VVACONRKSOKESF-BZUAXINKSA-N 2 0 362.474 0.869 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCn1cnc3ccccc3c1=O)C2 ZINC000903492421 1218426731 /nfs/dbraw/zinc/42/67/31/1218426731.db2.gz CNELHDJCTURLGS-KSMMKXTCSA-N 2 0 356.426 0.609 10 0 FCAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C2 ZINC000903492422 1218426999 /nfs/dbraw/zinc/42/69/99/1218426999.db2.gz CNJIKSAYNWEREW-KHYOSLBOSA-N 3 0 366.506 0.188 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000903728516 1218508383 /nfs/dbraw/zinc/50/83/83/1218508383.db2.gz PSENUXBWGULMFJ-GDBMZVCRSA-N 2 0 364.490 0.922 10 0 FCAERP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H]1[NH3+] ZINC000903755731 1218517180 /nfs/dbraw/zinc/51/71/80/1218517180.db2.gz CCKNZMGSIPILEC-FGTMMUONSA-N 2 0 370.497 0.773 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@H]1CC[NH3+] ZINC000903760292 1218519740 /nfs/dbraw/zinc/51/97/40/1218519740.db2.gz SAXJPQIPOFEDEF-KONPQCLYSA-N 2 0 362.518 0.905 10 0 FCAERP C[NH2+]CCN(C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C(C)C ZINC000903815558 1218544891 /nfs/dbraw/zinc/54/48/91/1218544891.db2.gz RPWWQKSWZRQFSG-UHFFFAOYSA-N 2 0 368.522 0.546 10 0 FCAERP Cc1c(C[C@@H](C[NH3+])CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cnn1C ZINC000903899679 1218561861 /nfs/dbraw/zinc/56/18/61/1218561861.db2.gz WGLFZWUXSFTOIX-WMZOPIPTSA-N 2 0 362.522 0.084 10 0 FCAERP Cc1cc(N2CC[C@@H]([NH2+]C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2=O)n(C)n1 ZINC000903923268 1218566481 /nfs/dbraw/zinc/56/64/81/1218566481.db2.gz POFOBDORNLEJLA-GDBMZVCRSA-N 2 0 359.478 0.283 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO[C@H]4CCOC4)C[C@H]32)CC[N@@H+]1C ZINC001491315672 1220109215 /nfs/dbraw/zinc/10/92/15/1220109215.db2.gz JZPYRAFVAHAIIW-LOXVXLSQSA-N 2 0 365.518 0.959 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@H]1C[NH+](C)C ZINC001119179572 1221882519 /nfs/dbraw/zinc/88/25/19/1221882519.db2.gz PWSPZGXIMYJTPU-YWTNHNAXSA-N 2 0 368.522 0.705 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001119704054 1221953646 /nfs/dbraw/zinc/95/36/46/1221953646.db2.gz CCRRMQXKHNLROP-GJZGRUSLSA-N 2 0 359.474 0.610 10 0 FCAERP C/C(=C/C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12 ZINC001124003638 1222375204 /nfs/dbraw/zinc/37/52/04/1222375204.db2.gz RAFOBQGDHFCKNP-LKEDTQINSA-N 2 0 374.529 0.846 10 0 FCAERP O=C(NC[C@@H]1CCCC[N@H+]1CCO)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000838475982 1222681399 /nfs/dbraw/zinc/68/13/99/1222681399.db2.gz KRTBYPYXEYYPED-ROUUACIJSA-N 2 0 368.522 0.776 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000841219182 1222814495 /nfs/dbraw/zinc/81/44/95/1222814495.db2.gz VREMTKIENNUCHV-YJBOKZPZSA-N 2 0 373.501 0.881 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000841847250 1222830353 /nfs/dbraw/zinc/83/03/53/1222830353.db2.gz UJPGQPWAQZZOIC-GXTWGEPZSA-N 2 0 363.414 0.814 10 0 FCAERP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000843330384 1222870365 /nfs/dbraw/zinc/87/03/65/1222870365.db2.gz XOGWGHPWKSJFAR-OAHLLOKOSA-N 2 0 363.414 0.814 10 0 FCAERP COCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849518966 1245397088 /nfs/dbraw/zinc/39/70/88/1245397088.db2.gz UDBWTKJEWIIZED-ZWKOTPCHSA-N 2 0 365.522 0.928 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849568018 1245401471 /nfs/dbraw/zinc/40/14/71/1245401471.db2.gz LRUATJWLIQPCEJ-JENIJYKNSA-N 2 0 365.522 0.663 10 0 FCAERP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cn1 ZINC000849590654 1245404891 /nfs/dbraw/zinc/40/48/91/1245404891.db2.gz CKTDDKFCIFWVJW-SQNIBIBYSA-N 2 0 363.506 0.418 10 0 FCAERP C[C@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@@H]([NH3+])c1ccccc1 ZINC000870999317 1245432550 /nfs/dbraw/zinc/43/25/50/1245432550.db2.gz MQOHCDWFELWMGT-BYHHXJKWSA-N 2 0 358.442 0.716 10 0 FCAERP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)nc2)C1 ZINC000897103375 1245465482 /nfs/dbraw/zinc/46/54/82/1245465482.db2.gz HXOOHJFKOSBHAS-IAGOWNOFSA-N 2 0 359.474 0.881 10 0 FCAERP C[C@H]1[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000915542775 1245523147 /nfs/dbraw/zinc/52/31/47/1245523147.db2.gz POSNHHDXRHAJLG-WMZOPIPTSA-N 3 0 360.506 0.986 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC[C@@H]1CNC(=O)C1 ZINC000915542382 1245523803 /nfs/dbraw/zinc/52/38/03/1245523803.db2.gz KWIYOSNKORYZKB-INIZCTEOSA-N 2 0 374.489 0.419 10 0 FCAERP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000918477418 1245579203 /nfs/dbraw/zinc/57/92/03/1245579203.db2.gz FXJQGGSIZMEZFV-HNNXBMFYSA-N 2 0 359.474 0.587 10 0 FCAERP O=C(CN1CCC[C@@H]([NH2+]CCO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000923406043 1245715870 /nfs/dbraw/zinc/71/58/70/1245715870.db2.gz JLPVTLKKAGYNEM-HXUWFJFHSA-N 2 0 374.529 0.945 10 0 FCAERP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000923450847 1245720664 /nfs/dbraw/zinc/72/06/64/1245720664.db2.gz JMCXVDGARLWRSZ-OAHLLOKOSA-N 2 0 368.478 0.117 10 0 FCAERP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@]([NH3+])(CO)C1 ZINC000923478853 1245723255 /nfs/dbraw/zinc/72/32/55/1245723255.db2.gz SRNYIGXTTODIHA-DYESRHJHSA-N 2 0 374.529 0.941 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](OCC)C1 ZINC001515238652 1265475091 /nfs/dbraw/zinc/47/50/91/1265475091.db2.gz LSYIXRMNGOEIFQ-BRWVUGGUSA-N 2 0 368.522 0.402 10 0 FCAERP C[C@H]1[C@H](C(=O)NCC[NH+]2CC[C@H](C)C2)[C@H]1C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC001328477842 1265558285 /nfs/dbraw/zinc/55/82/85/1265558285.db2.gz VGFJPAGNCQUIOU-ADHGMGHFSA-N 2 0 364.534 0.785 10 0 FCAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001328630612 1265589049 /nfs/dbraw/zinc/58/90/49/1265589049.db2.gz ULYNHNCBMXWKLN-JKSUJKDBSA-N 2 0 367.538 0.959 10 0 FCAERP CO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@@H]1C ZINC001329510984 1265773039 /nfs/dbraw/zinc/77/30/39/1265773039.db2.gz LOSYUBBORXSFDY-YLFCFFPRSA-N 2 0 368.522 0.068 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccc2c1C[NH2+]CC2 ZINC001329566702 1265783352 /nfs/dbraw/zinc/78/33/52/1265783352.db2.gz UNHJVZLIZHOANF-IYBDPMFKSA-N 2 0 370.453 0.565 10 0 FCAERP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C(C)=O)c2cccc3c2C[NH2+]CC3)C1 ZINC001329566662 1265783605 /nfs/dbraw/zinc/78/36/05/1265783605.db2.gz SZNRJCPOMVKDMZ-HNNXBMFYSA-N 2 0 372.469 0.670 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)C[C@H]1C[NH+](C)C ZINC001329608406 1265791711 /nfs/dbraw/zinc/79/17/11/1265791711.db2.gz MRJJOZFJKGHJNA-HUUCEWRRSA-N 2 0 357.462 0.474 10 0 FCAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001329614916 1265792604 /nfs/dbraw/zinc/79/26/04/1265792604.db2.gz ZOECPQALTFOKNT-IAGOWNOFSA-N 2 0 366.506 0.156 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC(C3CCCC3)C2)C[C@H]1C[NH+](C)C ZINC001329857918 1265877042 /nfs/dbraw/zinc/87/70/42/1265877042.db2.gz BMQPKUGMELMMDW-IAGOWNOFSA-N 2 0 364.534 0.833 10 0 FCAERP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001329982117 1265914431 /nfs/dbraw/zinc/91/44/31/1265914431.db2.gz HRDGHCGWUDRFRA-HRCADAONSA-N 2 0 368.522 0.591 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C2CC2)CC[N@@H+]1C ZINC001331280981 1266183849 /nfs/dbraw/zinc/18/38/49/1266183849.db2.gz JREZPHWVJPUPAL-ZNMIVQPWSA-N 2 0 364.494 0.165 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001335311869 1259601396 /nfs/dbraw/zinc/60/13/96/1259601396.db2.gz RILHECSYBGALKE-KGLIPLIRSA-N 2 0 362.478 0.450 10 0 FCAERP O=C1N[C@@H]2C[N@H+](CCOC3CCOCC3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001335380287 1259634311 /nfs/dbraw/zinc/63/43/11/1259634311.db2.gz DYWYLNPBOIAQSD-IAGOWNOFSA-N 2 0 352.479 0.402 10 0 FCAERP C[NH+](C)CC1(CNC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCCC1 ZINC001335945305 1259912448 /nfs/dbraw/zinc/91/24/48/1259912448.db2.gz FROGHVQUZXSAIL-MAUKXSAKSA-N 2 0 350.507 0.635 10 0 FCAERP C[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C[NH+]1CCN(C)CC1 ZINC001261657622 1260173806 /nfs/dbraw/zinc/17/38/06/1260173806.db2.gz HLIOXUHBRDBRBK-AEFFLSMTSA-N 2 0 367.538 0.111 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001265608829 1260415920 /nfs/dbraw/zinc/41/59/20/1260415920.db2.gz DKTDNCBFPHYAKT-QLFBSQMISA-N 2 0 367.494 0.001 10 0 FCAERP 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COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@@H]1CCc2ncnn21 ZINC001571640030 1269947114 /nfs/dbraw/zinc/94/71/14/1269947114.db2.gz GNOWTIOPXYCVQF-OWCLPIDISA-N 2 0 364.494 0.170 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC=C(CCNC(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC001572698622 1270108275 /nfs/dbraw/zinc/10/82/75/1270108275.db2.gz NHBUMWRADKKUMY-KBAYOESNSA-N 2 0 362.518 0.943 10 0 FCAERP C[C@@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001572893114 1270307513 /nfs/dbraw/zinc/30/75/13/1270307513.db2.gz ZESPUFXKSGDKGP-BZUAXINKSA-N 2 0 352.523 0.879 10 0 FCAERP C[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001573057515 1270577411 /nfs/dbraw/zinc/57/74/11/1270577411.db2.gz LPCSICNYDHECLR-IXDOHACOSA-N 2 0 350.507 0.872 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)CC[C@@H]2C1 ZINC001573389192 1270769600 /nfs/dbraw/zinc/76/96/00/1270769600.db2.gz MOYXOURPHXLYLH-UWVAXJGDSA-N 2 0 362.518 0.731 10 0 FCAERP 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CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+][C@@H](CC)C(N)=O ZINC001263968308 859258789 /nfs/dbraw/zinc/25/87/89/859258789.db2.gz WUESVJNULYMYFA-QLFBSQMISA-N 2 0 354.495 0.188 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CCOCCO)CC[C@@H]3C2)CC[N@@H+]1C ZINC001264088894 859304813 /nfs/dbraw/zinc/30/48/13/859304813.db2.gz AJXQHKIKGYZOAU-VSZNYVQBSA-N 2 0 353.507 0.506 10 0 FCAERP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001264090951 859306961 /nfs/dbraw/zinc/30/69/61/859306961.db2.gz JTLSNHLJAYGUBT-IXDOHACOSA-N 2 0 350.507 0.633 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCOC[C@H]1CCCO1 ZINC001264168214 859340132 /nfs/dbraw/zinc/34/01/32/859340132.db2.gz QAQZYRFAUWLYOR-ZACQAIPSSA-N 2 0 351.491 0.857 10 0 FCAERP CS(=O)(=O)CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001264487243 859365190 /nfs/dbraw/zinc/36/51/90/859365190.db2.gz XHYTVIUXUUJDFP-LSDHHAIUSA-N 2 0 357.520 0.391 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001264987757 859450446 /nfs/dbraw/zinc/45/04/46/859450446.db2.gz KLNQADPMXYGQBF-GDBMZVCRSA-N 2 0 354.495 0.060 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001265905882 859468338 /nfs/dbraw/zinc/46/83/38/859468338.db2.gz YRKHTHSVGNKODI-YESZJQIVSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001265878835 859468675 /nfs/dbraw/zinc/46/86/75/859468675.db2.gz KYNQYNCWEABYMX-BZUAXINKSA-N 2 0 356.486 0.631 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCNC(=O)C(F)(F)F)C2)CC[N@@H+]1C ZINC001266593191 859486196 /nfs/dbraw/zinc/48/61/96/859486196.db2.gz AICPPAIKJGYEQI-FDYHWXHSSA-N 2 0 364.412 0.632 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC(=O)N(C)c2nccs2)CC[N@@H+]1C ZINC001266703181 859487965 /nfs/dbraw/zinc/48/79/65/859487965.db2.gz DKPCQPCSOSUZFW-CHWSQXEVSA-N 2 0 353.492 0.494 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]C[C@H](O)COCC(F)(F)F)CC[N@@H+]1C ZINC001267374901 859505498 /nfs/dbraw/zinc/50/54/98/859505498.db2.gz PROAISDZRLMESA-FRRDWIJNSA-N 2 0 355.401 0.314 10 0 FCAERP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001267787094 859516464 /nfs/dbraw/zinc/51/64/64/859516464.db2.gz VHQDSUWGFPLQGL-DJIMGWMZSA-N 2 0 350.507 0.776 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cc(CO)ccc2F)CC[N@@H+]1C ZINC001268306517 859528012 /nfs/dbraw/zinc/52/80/12/859528012.db2.gz BRMUZCRURKEOPF-UHOFOFEASA-N 2 0 353.438 0.225 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001268644990 859536388 /nfs/dbraw/zinc/53/63/88/859536388.db2.gz FSJPETHGNSBKQZ-VNQPRFMTSA-N 2 0 359.536 0.636 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]C[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001268793521 859541841 /nfs/dbraw/zinc/54/18/41/859541841.db2.gz QZRFRRBLHIHWPU-OWCLPIDISA-N 2 0 359.536 0.590 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)C2CC2)CC[N@@H+]1C ZINC001269071841 859543894 /nfs/dbraw/zinc/54/38/94/859543894.db2.gz RVYRLWNQFJMLMR-XYPHTWIQSA-N 2 0 350.507 0.679 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CCOCC3CCC3)C2)CC[N@@H+]1C ZINC001271146768 859906043 /nfs/dbraw/zinc/90/60/43/859906043.db2.gz XPHKTGWXRISRGH-SZVBFZGTSA-N 2 0 353.507 0.696 10 0 FCAERP CC(C)OCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001271912112 860042878 /nfs/dbraw/zinc/04/28/78/860042878.db2.gz MQWQEFZVVVJSPQ-SJLPKXTDSA-N 2 0 354.539 0.922 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001272439936 860155791 /nfs/dbraw/zinc/15/57/91/860155791.db2.gz IRRKQGXWEFPGCE-HYVNUMGLSA-N 2 0 350.507 0.824 10 0 FCAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCNC(=O)NC(C)(C)C ZINC001274720130 860804017 /nfs/dbraw/zinc/80/40/17/860804017.db2.gz PCZQVMIHVKRMCQ-RRFJBIMHSA-N 2 0 355.527 0.909 10 0 FCAERP CC(C)NC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001281239508 863493643 /nfs/dbraw/zinc/49/36/43/863493643.db2.gz NXIGZIKNFMRLLO-HUUCEWRRSA-N 2 0 354.495 0.106 10 0 FCAERP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)[NH+](C)C ZINC001281797544 863750632 /nfs/dbraw/zinc/75/06/32/863750632.db2.gz SBPJXTMMKFZVOG-BZUAXINKSA-N 2 0 352.523 0.878 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1OC ZINC001281835232 863797933 /nfs/dbraw/zinc/79/79/33/863797933.db2.gz VBDOVDWLEDGSJM-HZPDHXFCSA-N 2 0 354.495 0.155 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001281850334 863822459 /nfs/dbraw/zinc/82/24/59/863822459.db2.gz JGWKLSHBBCVTLE-BZUAXINKSA-N 2 0 354.495 0.012 10 0 FCAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001282770797 864436599 /nfs/dbraw/zinc/43/65/99/864436599.db2.gz JKHXIUGUZBXPRZ-HHARLNAUSA-N 2 0 350.507 0.917 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCCN(C(=O)[C@H]2CCC[NH+]2C)C2CC2)CC[N@@H+]1C ZINC001283789865 864520601 /nfs/dbraw/zinc/52/06/01/864520601.db2.gz BGAYTNDMBPZSKN-DJIMGWMZSA-N 2 0 350.507 0.918 10 0 FCAERP CCc1nocc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001284418317 864560882 /nfs/dbraw/zinc/56/08/82/864560882.db2.gz SQECJYRZHQDTNE-HLLBOEOZSA-N 2 0 352.479 0.876 10 0 FCAERP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001286123089 864675789 /nfs/dbraw/zinc/67/57/89/864675789.db2.gz MQECLEMAYTXEAO-GPMSIDNRSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@@H]1[C@H](C(=O)NCCCOCCNC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001287483464 864722759 /nfs/dbraw/zinc/72/27/59/864722759.db2.gz BOKHAWGXXBXGQT-BZUAXINKSA-N 2 0 354.495 0.060 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001291614947 865604657 /nfs/dbraw/zinc/60/46/57/865604657.db2.gz XCHJFUMNACMTCJ-BRWVUGGUSA-N 2 0 352.523 0.879 10 0 FCAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001292003126 865665707 /nfs/dbraw/zinc/66/57/07/865665707.db2.gz XKXLPOCEOFJUEW-YVSFHVDLSA-N 2 0 350.507 0.918 10 0 FCAERP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1)C(=O)NC1CC1 ZINC001316659323 867380059 /nfs/dbraw/zinc/38/00/59/867380059.db2.gz HZGCFXHTQFBPBY-GRDNDAEWSA-N 2 0 350.507 0.870 10 0 FCAERP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001316710253 867415454 /nfs/dbraw/zinc/41/54/54/867415454.db2.gz OEVWRFVOBKTWDD-OAGGEKHMSA-N 2 0 351.495 0.180 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N[C@H](C)C3CC3)C2)CC[N@@H+]1C ZINC001317078860 867518545 /nfs/dbraw/zinc/51/85/45/867518545.db2.gz SUILTEQPWACFKT-FYNNLBNCSA-N 2 0 350.507 0.868 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001317155336 867522210 /nfs/dbraw/zinc/52/22/10/867522210.db2.gz MXUFNIGAJHKDJB-BZUAXINKSA-N 2 0 351.495 0.180 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001317323720 867528686 /nfs/dbraw/zinc/52/86/86/867528686.db2.gz XNJSBVOTKJUMOS-IXDOHACOSA-N 2 0 350.507 0.777 10 0 FCAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)COC1CC[NH+](C)CC1 ZINC001354438220 867601521 /nfs/dbraw/zinc/60/15/21/867601521.db2.gz NCSXREFEHATVPN-SQWLQELKSA-N 2 0 354.495 0.058 10 0 FCAERP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1C ZINC001320596570 868214394 /nfs/dbraw/zinc/21/43/94/868214394.db2.gz LSONDHNWHZHQIJ-KGLIPLIRSA-N 2 0 350.467 0.324 10 0 FCAERP C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1C ZINC001320596573 868214949 /nfs/dbraw/zinc/21/49/49/868214949.db2.gz LSONDHNWHZHQIJ-UONOGXRCSA-N 2 0 350.467 0.324 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCN2CCCC2=O)CC[N@@H+]1C ZINC001324163518 869493130 /nfs/dbraw/zinc/49/31/30/869493130.db2.gz QEYOSEQMTYTYPO-BRWVUGGUSA-N 2 0 350.507 0.920 10 0 FCAERP CCOC(=O)c1csc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)n1 ZINC001325844659 870058270 /nfs/dbraw/zinc/05/82/70/870058270.db2.gz ZVYRKHIHXOWPDG-ZDUSSCGKSA-N 2 0 356.492 0.060 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001326272141 870235923 /nfs/dbraw/zinc/23/59/23/870235923.db2.gz IPIPHIIXMOXSNK-BZUAXINKSA-N 2 0 359.536 0.590 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]CCc3ccns3)C2)CC[N@@H+]1C ZINC001326977979 870599966 /nfs/dbraw/zinc/59/99/66/870599966.db2.gz KBCSOBCMBDZQKD-IIAWOOMASA-N 2 0 352.504 0.843 10 0 FCAERP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2)[NH+](C)C ZINC001344133253 870758068 /nfs/dbraw/zinc/75/80/68/870758068.db2.gz YIXYMRAJOSRBNI-OAGGEKHMSA-N 2 0 350.507 0.966 10 0 FCAERP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001346192223 871698028 /nfs/dbraw/zinc/69/80/28/871698028.db2.gz BTYZBBWLMHGZPT-BRWVUGGUSA-N 2 0 352.523 0.881 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC001328963914 871744551 /nfs/dbraw/zinc/74/45/51/871744551.db2.gz QUYVRROOEUZFKL-GFCCVEGCSA-N 2 0 367.321 0.638 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001346284270 871749912 /nfs/dbraw/zinc/74/99/12/871749912.db2.gz SZIGGPHYEUWKBV-GVDBMIGSSA-N 2 0 352.523 0.881 10 0 FCAERP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CC[NH+](C)CC1 ZINC001346573876 871911855 /nfs/dbraw/zinc/91/18/55/871911855.db2.gz NGDQXCWFPFHFIE-PMPSAXMXSA-N 2 0 355.552 0.501 10 0 FCAERP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC001329822293 872284325 /nfs/dbraw/zinc/28/43/25/872284325.db2.gz NQIGRPSURNOTIB-LSDHHAIUSA-N 2 0 350.438 0.883 10 0 FCAERP C[NH+](C)CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001347560282 872392167 /nfs/dbraw/zinc/39/21/67/872392167.db2.gz PRKMIMGJWQPRIF-HZMVEIRTSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+](C)CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001347560283 872392654 /nfs/dbraw/zinc/39/26/54/872392654.db2.gz PRKMIMGJWQPRIF-VQHPVUNQSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@H]1C[NH+](C)C ZINC001329986623 872402771 /nfs/dbraw/zinc/40/27/71/872402771.db2.gz BNBILJLNFXLNPT-CHWSQXEVSA-N 2 0 363.487 0.567 10 0 FCAERP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C[NH+](C)C)CC1)[NH+](C)C ZINC001347713465 872469904 /nfs/dbraw/zinc/46/99/04/872469904.db2.gz TXHKVGAPAKDVHA-FPCVCCKLSA-N 2 0 350.507 0.917 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001330598682 872725362 /nfs/dbraw/zinc/72/53/62/872725362.db2.gz FFPVSYNRFNACPS-LUKYLMHMSA-N 2 0 350.507 0.824 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cc(O)ccc1Cl ZINC001331839091 873267597 /nfs/dbraw/zinc/26/75/97/873267597.db2.gz CETNGVJUDDMEBJ-UHFFFAOYSA-N 2 0 370.881 0.614 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCCS2)C[C@H]1C[NH+](C)C ZINC001332078267 873362988 /nfs/dbraw/zinc/36/29/88/873362988.db2.gz IERPXJXTVJODHN-OAGGEKHMSA-N 2 0 370.563 0.586 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2snnc2C)CC[N@@H+]1C ZINC001332519163 873541415 /nfs/dbraw/zinc/54/14/15/873541415.db2.gz ZFEHKSUTYBYMNZ-MELADBBJSA-N 2 0 355.508 0.486 10 0 FCAERP CS(=O)(=O)CC1CCC([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC001332878850 873698279 /nfs/dbraw/zinc/69/82/79/873698279.db2.gz OBYSMVQANVLZRE-YMAMQOFZSA-N 2 0 358.504 0.865 10 0 FCAERP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH2+][C@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001333222041 873859401 /nfs/dbraw/zinc/85/94/01/873859401.db2.gz CDCRRWMCRVXMAT-OAGGEKHMSA-N 2 0 354.495 0.012 10 0 FCAERP COc1ccc(OC)c(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000265870801 210239340 /nfs/dbraw/zinc/23/93/40/210239340.db2.gz PKUOMLRRCCEREC-INIZCTEOSA-N 2 0 363.458 0.727 10 0 FCAERP C[NH+]1CCN(c2cc(C(=O)N[C@@H](CO)C[NH+]3CCCCC3)ccn2)CC1 ZINC000413817471 529776798 /nfs/dbraw/zinc/77/67/98/529776798.db2.gz MCWHQYORYVQTKV-QGZVFWFLSA-N 2 0 361.490 0.410 10 0 FCAERP CN(CC[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CC[NH+](C)CC1 ZINC000162186167 529904067 /nfs/dbraw/zinc/90/40/67/529904067.db2.gz BCNAUDMWBGVEFJ-INIZCTEOSA-N 2 0 360.568 0.616 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1)C[NH+](C)C ZINC000931003742 674085830 /nfs/dbraw/zinc/08/58/30/674085830.db2.gz AJULVPPXTNTIBN-CVEARBPZSA-N 2 0 356.511 0.306 10 0 FCAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000931003771 674085870 /nfs/dbraw/zinc/08/58/70/674085870.db2.gz AZVVGMUGRVCUSL-JTDSTZFVSA-N 2 0 350.507 0.633 10 0 FCAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000285034394 213270871 /nfs/dbraw/zinc/27/08/71/213270871.db2.gz HWNDRLMBZGMZDR-ZWKOTPCHSA-N 2 0 372.513 0.876 10 0 FCAERP CN(C(=O)C(=O)NC1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000284840122 213231648 /nfs/dbraw/zinc/23/16/48/213231648.db2.gz NBOOQUSVYWSSGN-SFHVURJKSA-N 2 0 358.486 0.930 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCNC[C@H]2C(F)F)CC1=O ZINC000367283431 216101085 /nfs/dbraw/zinc/10/10/85/216101085.db2.gz VVHCYVMKFUOPRV-MJBXVCDLSA-N 2 0 358.433 0.385 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000369202995 216363763 /nfs/dbraw/zinc/36/37/63/216363763.db2.gz FOPSQXXCHKFKMB-IXDOHACOSA-N 2 0 354.495 0.338 10 0 FCAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000190340534 209271172 /nfs/dbraw/zinc/27/11/72/209271172.db2.gz FDZCKPZGIZFAID-HUUCEWRRSA-N 2 0 362.478 0.468 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000369394543 216394755 /nfs/dbraw/zinc/39/47/55/216394755.db2.gz IDXPRMRZFNVWCP-ROUUACIJSA-N 2 0 367.538 0.519 10 0 FCAERP CC[C@]1(CO)CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000187607083 209214057 /nfs/dbraw/zinc/21/40/57/209214057.db2.gz HSIZZOXLWZCQAN-MJGOQNOKSA-N 2 0 355.523 0.944 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CN(C(C)=O)CCO1 ZINC000931397966 674111772 /nfs/dbraw/zinc/11/17/72/674111772.db2.gz XWLPXUMVRGDHIC-IAGOWNOFSA-N 2 0 354.495 0.108 10 0 FCAERP CC[C@@H](CO)[NH+]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000184975846 209170833 /nfs/dbraw/zinc/17/08/33/209170833.db2.gz AIJZQZJDEREPAZ-RBUKOAKNSA-N 2 0 362.518 0.794 10 0 FCAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000417398445 245691183 /nfs/dbraw/zinc/69/11/83/245691183.db2.gz YDKVBURZDXDXDG-INIZCTEOSA-N 2 0 353.511 0.605 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[C@H]1c1ccc(F)cc1 ZINC000419133279 246006799 /nfs/dbraw/zinc/00/67/99/246006799.db2.gz FXMXAHOZSGNYGB-RYQLBKOJSA-N 2 0 374.460 0.822 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419416428 246150815 /nfs/dbraw/zinc/15/08/15/246150815.db2.gz HBVDKCLZCRGZDE-QAPCUYQASA-N 2 0 358.486 0.665 10 0 FCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419413255 246147102 /nfs/dbraw/zinc/14/71/02/246147102.db2.gz DKEKWEJOPFRUHY-MAUKXSAKSA-N 2 0 358.486 0.665 10 0 FCAERP CC[N@H+](CCNC(=O)C(=O)N1CCNC[C@@H]1c1ccccc1OC)C1CC1 ZINC000419530380 246192826 /nfs/dbraw/zinc/19/28/26/246192826.db2.gz ZDJGTKHFHYNUAY-QGZVFWFLSA-N 2 0 374.485 0.769 10 0 FCAERP COc1ccccc1[C@H]1CNCCN1C(=O)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000419677951 246244782 /nfs/dbraw/zinc/24/47/82/246244782.db2.gz DGOYQALPUFMHQL-GOEBONIOSA-N 2 0 371.441 0.570 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000419864778 246332635 /nfs/dbraw/zinc/33/26/35/246332635.db2.gz GCYSPBGJRUYRMI-UHFFFAOYSA-N 2 0 361.446 0.125 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000419908103 246363265 /nfs/dbraw/zinc/36/32/65/246363265.db2.gz YEJZFLWTAPJTHA-ULQDDVLXSA-N 2 0 350.507 0.968 10 0 FCAERP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000419948720 246382783 /nfs/dbraw/zinc/38/27/83/246382783.db2.gz KHUKANXRZBIWLN-INIZCTEOSA-N 2 0 366.506 0.348 10 0 FCAERP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000419948723 246382937 /nfs/dbraw/zinc/38/29/37/246382937.db2.gz KHUKANXRZBIWLN-MRXNPFEDSA-N 2 0 366.506 0.348 10 0 FCAERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419955270 246385213 /nfs/dbraw/zinc/38/52/13/246385213.db2.gz SBQOMQLMSWOTQD-INIZCTEOSA-N 2 0 364.465 0.974 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[C@@]1(C)C[NH3+] ZINC000423521617 247042071 /nfs/dbraw/zinc/04/20/71/247042071.db2.gz GHMDRWZJRFJTSC-SIXWZSSISA-N 2 0 350.507 0.620 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000423689274 247110925 /nfs/dbraw/zinc/11/09/25/247110925.db2.gz XMVKDQHRAGYKLN-RDJZCZTQSA-N 2 0 359.474 0.355 10 0 FCAERP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000423827704 247143149 /nfs/dbraw/zinc/14/31/49/247143149.db2.gz NRTHCSQUEBCPNZ-XYJFISCASA-N 2 0 361.442 0.980 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000423717748 247123207 /nfs/dbraw/zinc/12/32/07/247123207.db2.gz BIZPREFCIGWKLF-MRXNPFEDSA-N 2 0 366.506 0.300 10 0 FCAERP C[NH+]1CCN(c2ccc(NC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)cn2)CC1 ZINC000424189500 247176181 /nfs/dbraw/zinc/17/61/81/247176181.db2.gz KYBKEOYXPRBCPQ-HNNXBMFYSA-N 2 0 370.461 0.602 10 0 FCAERP C[NH+](C)CCN1C(=O)C[C@H](N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1=O ZINC000424525128 247251800 /nfs/dbraw/zinc/25/18/00/247251800.db2.gz MCCIERADSCMUTA-GBESFXJTSA-N 2 0 370.497 0.882 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000471207020 250092393 /nfs/dbraw/zinc/09/23/93/250092393.db2.gz HYTABDVMCNIZNB-MSOLQXFVSA-N 2 0 354.539 0.731 10 0 FCAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000481745483 250352016 /nfs/dbraw/zinc/35/20/16/250352016.db2.gz SGZKZYUFEAEAPH-HLLBOEOZSA-N 2 0 350.507 0.918 10 0 FCAERP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1=O ZINC000073009974 208044166 /nfs/dbraw/zinc/04/41/66/208044166.db2.gz IZRPYVAKANMPRZ-ROUUACIJSA-N 2 0 360.502 0.686 10 0 FCAERP COCC[N@H+](C)CCCNC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000091846704 208141407 /nfs/dbraw/zinc/14/14/07/208141407.db2.gz HBYKINJENFEDHZ-GOSISDBHSA-N 2 0 369.554 0.766 10 0 FCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000106125316 208209517 /nfs/dbraw/zinc/20/95/17/208209517.db2.gz IDKIXOYUDWTGIZ-AWEZNQCLSA-N 2 0 362.474 0.749 10 0 FCAERP C[C@H](C(=O)NC(N)=O)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128063 208215588 /nfs/dbraw/zinc/21/55/88/208215588.db2.gz RKYWYMWVXNTJTM-PBHICJAKSA-N 2 0 362.474 0.947 10 0 FCAERP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000112549948 208296112 /nfs/dbraw/zinc/29/61/12/208296112.db2.gz RROAAENLHBSUSR-RHSMWYFYSA-N 2 0 362.474 0.866 10 0 FCAERP C[NH+](C)C[C@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCO1 ZINC000116977829 208340357 /nfs/dbraw/zinc/34/03/57/208340357.db2.gz BLOUABNLJCQLIF-IBGZPJMESA-N 2 0 360.502 0.837 10 0 FCAERP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000091768743 229158616 /nfs/dbraw/zinc/15/86/16/229158616.db2.gz SKBHANJXUIYQIT-CVEARBPZSA-N 2 0 351.495 0.419 10 0 FCAERP C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000155311837 229187715 /nfs/dbraw/zinc/18/77/15/229187715.db2.gz RQSJTHSVGRRBFJ-CABCVRRESA-N 2 0 362.540 0.298 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000188680662 229250276 /nfs/dbraw/zinc/25/02/76/229250276.db2.gz UFVVYYDTWZVHTO-HOTGVXAUSA-N 2 0 356.511 0.584 10 0 FCAERP CN(C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410499754 230105712 /nfs/dbraw/zinc/10/57/12/230105712.db2.gz USZIASNLVHTXKU-QGZVFWFLSA-N 2 0 350.507 0.872 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)n1 ZINC000633016240 484101892 /nfs/dbraw/zinc/10/18/92/484101892.db2.gz WKMSVIQCZWAGCN-UHFFFAOYSA-N 2 0 370.457 0.345 10 0 FCAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000633046655 484103385 /nfs/dbraw/zinc/10/33/85/484103385.db2.gz XXTSCZIELAJVGH-ZDUSSCGKSA-N 2 0 350.467 0.278 10 0 FCAERP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000364519525 488968094 /nfs/dbraw/zinc/96/80/94/488968094.db2.gz LOQOSHFAZUQBBI-RDJZCZTQSA-N 2 0 350.507 0.907 10 0 FCAERP CN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000562816613 491191938 /nfs/dbraw/zinc/19/19/38/491191938.db2.gz ZSTPQBZIUTVWEI-UONOGXRCSA-N 2 0 363.428 0.701 10 0 FCAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000074167378 488388408 /nfs/dbraw/zinc/38/84/08/488388408.db2.gz RDGACAYNEAQQFR-ROUUACIJSA-N 2 0 369.554 0.670 10 0 FCAERP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000074167388 488388431 /nfs/dbraw/zinc/38/84/31/488388431.db2.gz RDGACAYNEAQQFR-QZTJIDSGSA-N 2 0 369.554 0.670 10 0 FCAERP COCC[NH+]1CCC(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000184964502 488398932 /nfs/dbraw/zinc/39/89/32/488398932.db2.gz FUMJRYNFHZQECO-MRXNPFEDSA-N 2 0 370.538 0.831 10 0 FCAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000245593759 488465524 /nfs/dbraw/zinc/46/55/24/488465524.db2.gz BKCLMHOTESZANG-ZWKOTPCHSA-N 2 0 369.554 0.765 10 0 FCAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000245593751 488465552 /nfs/dbraw/zinc/46/55/52/488465552.db2.gz BKCLMHOTESZANG-ROUUACIJSA-N 2 0 369.554 0.765 10 0 FCAERP C[C@@H]1CC[C@@H](C(N)=O)C[NH+]1CCOCC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000247084498 488481823 /nfs/dbraw/zinc/48/18/23/488481823.db2.gz PKTPLOIBMVUXMH-FPCVCCKLSA-N 2 0 354.495 0.175 10 0 FCAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[C@@H]3C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)C[C@@H]12 ZINC000248638314 488499680 /nfs/dbraw/zinc/49/96/80/488499680.db2.gz QTYUOHFMEPXJKS-LOXQETLPSA-N 2 0 374.529 0.794 10 0 FCAERP O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000248956842 488504612 /nfs/dbraw/zinc/50/46/12/488504612.db2.gz DAWQKLFXIGKSGH-LSDHHAIUSA-N 2 0 355.442 0.421 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000249211201 488507653 /nfs/dbraw/zinc/50/76/53/488507653.db2.gz SNBVAZHUJQVLLT-LSDHHAIUSA-N 2 0 364.494 0.572 10 0 FCAERP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106125173 488511926 /nfs/dbraw/zinc/51/19/26/488511926.db2.gz WEIXSDJSEBUOLB-CABCVRRESA-N 2 0 356.511 0.881 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000111812438 488531727 /nfs/dbraw/zinc/53/17/27/488531727.db2.gz LSQPFPIDYLVCBK-ROUUACIJSA-N 2 0 369.554 0.668 10 0 FCAERP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)c1ccccc1 ZINC000261865803 488539029 /nfs/dbraw/zinc/53/90/29/488539029.db2.gz CQKWIGAAILWEDZ-ZACQAIPSSA-N 2 0 353.488 0.712 10 0 FCAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000262045105 488547907 /nfs/dbraw/zinc/54/79/07/488547907.db2.gz QNBKOWQWJYYFHC-JFIYKMOQSA-N 2 0 352.523 0.757 10 0 FCAERP CN1CCC([NH+]2CCC(NC(=O)N3CCO[C@H](C[NH+](C)C)C3)CC2)CC1 ZINC000117041342 488550130 /nfs/dbraw/zinc/55/01/30/488550130.db2.gz CZKKNHWKTVSGOY-GOSISDBHSA-N 2 0 367.538 0.517 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccnc(OC3CCOCC3)c2)CC1 ZINC000562999365 491206946 /nfs/dbraw/zinc/20/69/46/491206946.db2.gz LCGDGURYYMOVHL-QGZVFWFLSA-N 2 0 364.490 0.337 10 0 FCAERP NC(=O)[C@H]1CCCN1C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000131199126 488643328 /nfs/dbraw/zinc/64/33/28/488643328.db2.gz HGGODTUMZKDPCO-RTBURBONSA-N 2 0 361.486 0.978 10 0 FCAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCC[NH+]2CCCC2)CC1 ZINC000136857525 488679215 /nfs/dbraw/zinc/67/92/15/488679215.db2.gz GHORCIMRBYQQDU-KRWDZBQOSA-N 2 0 365.522 0.810 10 0 FCAERP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000145813672 488693597 /nfs/dbraw/zinc/69/35/97/488693597.db2.gz QIRUXBBVAQJHPR-GOSISDBHSA-N 2 0 373.501 0.583 10 0 FCAERP C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)COCC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000155400297 488755390 /nfs/dbraw/zinc/75/53/90/488755390.db2.gz JCHZWHGFACKJJC-FPCVCCKLSA-N 2 0 354.495 0.105 10 0 FCAERP CC[NH+]1CCC(N(C)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000157448629 488771480 /nfs/dbraw/zinc/77/14/80/488771480.db2.gz ILTONUIWPYTRCK-GOSISDBHSA-N 2 0 354.539 0.876 10 0 FCAERP CC[NH+]1CCC(N(C)CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000157448785 488771625 /nfs/dbraw/zinc/77/16/25/488771625.db2.gz ILTONUIWPYTRCK-SFHVURJKSA-N 2 0 354.539 0.876 10 0 FCAERP O=C(NC[C@]1(N2CCOCC2)CCSC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171903883 488828261 /nfs/dbraw/zinc/82/82/61/488828261.db2.gz GRWLGCXGIJCWBH-DOTOQJQBSA-N 2 0 354.520 0.684 10 0 FCAERP CC[C@H]1CN(C(=O)NC2CC[NH+](CCOC)CC2)CC[N@@H+]1CCOC ZINC000172331002 488833079 /nfs/dbraw/zinc/83/30/79/488833079.db2.gz MPGKYTMMVXZQPC-KRWDZBQOSA-N 2 0 356.511 0.849 10 0 FCAERP CN1CCC(CNC(=O)NC[C@@H]2CN(C)CCO2)([NH+]2CCCCC2)CC1 ZINC000174748341 488850819 /nfs/dbraw/zinc/85/08/19/488850819.db2.gz NCRCUEVYZLKUEY-QGZVFWFLSA-N 3 0 367.538 0.567 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CCO1 ZINC000174923263 488852173 /nfs/dbraw/zinc/85/21/73/488852173.db2.gz CTAXQAZSJDPCJW-LJQANCHMSA-N 2 0 360.502 0.837 10 0 FCAERP CC[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000181844234 488863764 /nfs/dbraw/zinc/86/37/64/488863764.db2.gz JIPLWMGVQKDFBG-KZNAEPCWSA-N 2 0 369.554 0.357 10 0 FCAERP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC([C@H]3CCC[NH2+]3)CC1)c(=O)n2C ZINC000563215613 491227681 /nfs/dbraw/zinc/22/76/81/491227681.db2.gz SJSZMALFMAPWIJ-OAHLLOKOSA-N 2 0 374.489 0.288 10 0 FCAERP COC[C@H](C)OC[C@@H](O)C[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000365711375 489102749 /nfs/dbraw/zinc/10/27/49/489102749.db2.gz KRGXZYPWAFAWDV-YSIASYRMSA-N 2 0 366.502 0.968 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000563302281 491235865 /nfs/dbraw/zinc/23/58/65/491235865.db2.gz GGLXUUIVGVPKEH-UHFFFAOYSA-N 2 0 354.495 0.062 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)[C@H](C)C1 ZINC000570377709 491237297 /nfs/dbraw/zinc/23/72/97/491237297.db2.gz UIWHJZBMOPMMMT-IKGGRYGDSA-N 2 0 350.507 0.872 10 0 FCAERP CCOC(=O)N1CCC(NC(=O)CN2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366484544 489188173 /nfs/dbraw/zinc/18/81/73/489188173.db2.gz TZKMYDZAVBKBSG-SFHVURJKSA-N 2 0 352.479 0.751 10 0 FCAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000366499946 489189200 /nfs/dbraw/zinc/18/92/00/489189200.db2.gz ZKOUUXDHKXPPAN-LJQANCHMSA-N 2 0 358.490 0.543 10 0 FCAERP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000369859742 489282846 /nfs/dbraw/zinc/28/28/46/489282846.db2.gz CQODSZAOMWDZMT-ZWKOTPCHSA-N 2 0 363.506 0.049 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000563459587 491249359 /nfs/dbraw/zinc/24/93/59/491249359.db2.gz XRZUCFMSSXHDNL-ZBFHGGJFSA-N 2 0 365.522 0.901 10 0 FCAERP CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nccs1 ZINC000570593889 491252255 /nfs/dbraw/zinc/25/22/55/491252255.db2.gz PFMCXFQZYIVGLF-ZDUSSCGKSA-N 2 0 355.508 0.662 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000570690763 491258137 /nfs/dbraw/zinc/25/81/37/491258137.db2.gz LRFSJNJWPKVNTM-MRXNPFEDSA-N 2 0 368.522 0.594 10 0 FCAERP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)ccn2)CC1 ZINC000363521442 489475299 /nfs/dbraw/zinc/47/52/99/489475299.db2.gz ZRYWLQLQUUFZKR-SJORKVTESA-N 2 0 359.474 0.426 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423083196 489492203 /nfs/dbraw/zinc/49/22/03/489492203.db2.gz FNXCGAVBSBXKDG-DNVCBOLYSA-N 2 0 350.507 0.764 10 0 FCAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)o1 ZINC000423163593 489498251 /nfs/dbraw/zinc/49/82/51/489498251.db2.gz MVZPUNFNJDYPGM-AUUYWEPGSA-N 2 0 364.490 0.922 10 0 FCAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000423210982 489503480 /nfs/dbraw/zinc/50/34/80/489503480.db2.gz KJMXHDHPHPSXAQ-VQIMIIECSA-N 2 0 366.506 0.158 10 0 FCAERP Cc1ccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000415627917 489538201 /nfs/dbraw/zinc/53/82/01/489538201.db2.gz SXMHJCWEYARYDK-ZBFHGGJFSA-N 2 0 362.474 0.988 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C(C)(C)CN2CCCC2)C1 ZINC000452086633 489544557 /nfs/dbraw/zinc/54/45/57/489544557.db2.gz LNXCLBDIKKCRJY-KRWDZBQOSA-N 2 0 354.539 0.923 10 0 FCAERP CC[C@@H](COC)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000372817611 489639405 /nfs/dbraw/zinc/63/94/05/489639405.db2.gz IHWCFPDDJRRPPL-CVEARBPZSA-N 2 0 363.506 0.848 10 0 FCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417384340 489651229 /nfs/dbraw/zinc/65/12/29/489651229.db2.gz KZBILTLWPHRNFH-SJLPKXTDSA-N 3 0 360.506 0.891 10 0 FCAERP Cc1nccn1-c1ccc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)cn1 ZINC000372927224 489652665 /nfs/dbraw/zinc/65/26/65/489652665.db2.gz USMFECCPIYRWAN-ZDUSSCGKSA-N 2 0 372.429 0.039 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417434522 489653427 /nfs/dbraw/zinc/65/34/27/489653427.db2.gz XHNRCWNHBYGECY-CHWSQXEVSA-N 2 0 361.437 0.226 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417564173 489658716 /nfs/dbraw/zinc/65/87/16/489658716.db2.gz IIUNQDONXSSFAL-HZPDHXFCSA-N 2 0 369.510 0.126 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417564171 489659008 /nfs/dbraw/zinc/65/90/08/489659008.db2.gz IIUNQDONXSSFAL-CVEARBPZSA-N 2 0 369.510 0.126 10 0 FCAERP O=C(NCCC[C@H]1CCC[NH2+]1)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000417703278 489661860 /nfs/dbraw/zinc/66/18/60/489661860.db2.gz JXSNLLWPPFUZEH-QGZVFWFLSA-N 2 0 365.522 0.762 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000417833323 489667857 /nfs/dbraw/zinc/66/78/57/489667857.db2.gz DTSPHTIXXQMIPZ-ZBFHGGJFSA-N 2 0 367.538 0.910 10 0 FCAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000417834178 489668085 /nfs/dbraw/zinc/66/80/85/489668085.db2.gz FRUDTAPDCUVNDV-ZFWWWQNUSA-N 2 0 353.511 0.744 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)[C@@H]1c1ccccc1 ZINC000417932969 489671748 /nfs/dbraw/zinc/67/17/48/489671748.db2.gz DJDPFXVRCPBVQC-BZSNNMDCSA-N 2 0 373.501 0.928 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000418852524 489757358 /nfs/dbraw/zinc/75/73/58/489757358.db2.gz QWMZYXRERDRAGX-FGTMMUONSA-N 2 0 358.486 0.628 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418928262 489794332 /nfs/dbraw/zinc/79/43/32/489794332.db2.gz UTRLYTPESLKUTJ-SJORKVTESA-N 2 0 362.474 0.276 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[C@H]1[NH3+] ZINC000418943344 489798572 /nfs/dbraw/zinc/79/85/72/489798572.db2.gz BMIXDAPBWMXEEM-BLLLJJGKSA-N 2 0 350.438 0.699 10 0 FCAERP C[NH+](C)Cc1cc(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)ccc1F ZINC000418963751 489805171 /nfs/dbraw/zinc/80/51/71/489805171.db2.gz MMDIJJXHZSAUCC-OAHLLOKOSA-N 2 0 350.438 0.762 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000418972647 489808294 /nfs/dbraw/zinc/80/82/94/489808294.db2.gz ZJBIFXZRPOOSFQ-LRDDRELGSA-N 2 0 350.438 0.618 10 0 FCAERP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000459986147 489809088 /nfs/dbraw/zinc/80/90/88/489809088.db2.gz FGQAOYGFMMOCQK-KRWDZBQOSA-N 2 0 366.506 0.108 10 0 FCAERP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000419007040 489815727 /nfs/dbraw/zinc/81/57/27/489815727.db2.gz REFNRJWZPULVLQ-GOSISDBHSA-N 2 0 358.486 0.967 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419045223 489832289 /nfs/dbraw/zinc/83/22/89/489832289.db2.gz RXYSIAJQKGHOSG-MRXNPFEDSA-N 2 0 354.495 0.250 10 0 FCAERP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cnc2n1CCC2 ZINC000475535930 489835352 /nfs/dbraw/zinc/83/53/52/489835352.db2.gz YVWNNVZSEUIPSI-UHFFFAOYSA-N 2 0 357.524 0.723 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000571054374 491282781 /nfs/dbraw/zinc/28/27/81/491282781.db2.gz UWGZUURNBNQRSN-KRWDZBQOSA-N 2 0 356.511 0.753 10 0 FCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420108277 489914857 /nfs/dbraw/zinc/91/48/57/489914857.db2.gz XARXVISJUCFQQK-NXHRZFHOSA-N 2 0 358.486 0.834 10 0 FCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420133643 489925071 /nfs/dbraw/zinc/92/50/71/489925071.db2.gz CQOLMZYBPBTOHZ-YOEHRIQHSA-N 2 0 364.465 0.830 10 0 FCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000420135658 489925360 /nfs/dbraw/zinc/92/53/60/489925360.db2.gz VKPSUXMRSULQSI-NJAFHUGGSA-N 2 0 358.486 0.976 10 0 FCAERP COC(=O)c1cc(F)c(C)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000420465670 489982271 /nfs/dbraw/zinc/98/22/71/489982271.db2.gz YYBAEBZATURMFO-UHFFFAOYSA-N 2 0 361.439 0.609 10 0 FCAERP CNC(=O)[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000420777692 490022312 /nfs/dbraw/zinc/02/23/12/490022312.db2.gz HVTMNSPAMJQRPM-INIZCTEOSA-N 2 0 374.489 0.371 10 0 FCAERP CN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439597570 490042119 /nfs/dbraw/zinc/04/21/19/490042119.db2.gz RCHSMGGDYSCQIQ-HNNXBMFYSA-N 2 0 354.414 0.901 10 0 FCAERP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000556170424 491300022 /nfs/dbraw/zinc/30/00/22/491300022.db2.gz JXNBNMUFVFUTBC-UHFFFAOYSA-N 2 0 366.506 0.206 10 0 FCAERP C[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386657882 490131734 /nfs/dbraw/zinc/13/17/34/490131734.db2.gz UUMLRUJWAVHWCV-CGTJXYLNSA-N 2 0 367.515 0.805 10 0 FCAERP CN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388479742 490132953 /nfs/dbraw/zinc/13/29/53/490132953.db2.gz ASNHTMCPDCAUPJ-QZTJIDSGSA-N 2 0 367.515 0.901 10 0 FCAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000465843469 490146440 /nfs/dbraw/zinc/14/64/40/490146440.db2.gz VTSAJIWGNWGTAH-SJORKVTESA-N 2 0 363.506 0.585 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422293180 490235462 /nfs/dbraw/zinc/23/54/62/490235462.db2.gz KMIGIHWIVWLLDO-CVEARBPZSA-N 2 0 354.495 0.062 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000521624580 490283381 /nfs/dbraw/zinc/28/33/81/490283381.db2.gz DPYGFRYTFPZVNV-KRWDZBQOSA-N 2 0 369.535 0.826 10 0 FCAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000422473496 490342766 /nfs/dbraw/zinc/34/27/66/490342766.db2.gz NWYRHATYEHAPPB-KRWDZBQOSA-N 2 0 373.457 0.520 10 0 FCAERP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000498882771 490360920 /nfs/dbraw/zinc/36/09/20/490360920.db2.gz ZBJNPIPWSLSAAL-INIZCTEOSA-N 2 0 364.494 0.764 10 0 FCAERP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000534524382 490375556 /nfs/dbraw/zinc/37/55/56/490375556.db2.gz HOLKXXOVSXRHDP-UHFFFAOYSA-N 2 0 362.478 0.157 10 0 FCAERP c1cnc(N2CC[NH+](CCCC[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)CC2)nc1 ZINC000422718491 490463951 /nfs/dbraw/zinc/46/39/51/490463951.db2.gz PUJKXQYLSZQGCN-RBUKOAKNSA-N 2 0 374.533 0.735 10 0 FCAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422911924 490495238 /nfs/dbraw/zinc/49/52/38/490495238.db2.gz UWDRHHQTENLQBT-RTBURBONSA-N 2 0 360.502 0.835 10 0 FCAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422912621 490496138 /nfs/dbraw/zinc/49/61/38/490496138.db2.gz NPGFNLYXYGAVSU-RBUKOAKNSA-N 2 0 360.502 0.835 10 0 FCAERP C[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000422958696 490505971 /nfs/dbraw/zinc/50/59/71/490505971.db2.gz YSHZRGVDXZKQGM-MRXNPFEDSA-N 2 0 358.486 0.978 10 0 FCAERP C[C@H]1CN(c2ccc(C[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)cn2)CCO1 ZINC000571908741 491337128 /nfs/dbraw/zinc/33/71/28/491337128.db2.gz ANINJRURFZRCLT-WMZOPIPTSA-N 2 0 363.506 0.005 10 0 FCAERP CNS(=O)(=O)CCC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511821304 490630324 /nfs/dbraw/zinc/63/03/24/490630324.db2.gz DTNZYCCGTIDLKY-UHFFFAOYSA-N 2 0 368.547 0.675 10 0 FCAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000511980583 490647551 /nfs/dbraw/zinc/64/75/51/490647551.db2.gz DQCDRPCSGXQPGA-KLAILNCOSA-N 2 0 350.507 0.920 10 0 FCAERP C[C@H](CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)CN1CCOCC1 ZINC000572013856 491342775 /nfs/dbraw/zinc/34/27/75/491342775.db2.gz BISBUKMSXNDQBT-WWDZGPRUSA-N 2 0 367.538 0.470 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000572042887 491345081 /nfs/dbraw/zinc/34/50/81/491345081.db2.gz CYMNILFTGFBBQL-CRAIPNDOSA-N 2 0 362.518 0.920 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000572042889 491345148 /nfs/dbraw/zinc/34/51/48/491345148.db2.gz CYMNILFTGFBBQL-QAPCUYQASA-N 2 0 362.518 0.920 10 0 FCAERP O=C(NCCC[NH+]1CCCCC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529286004 490847581 /nfs/dbraw/zinc/84/75/81/490847581.db2.gz SHZZJVNKNSVPPR-UHFFFAOYSA-N 2 0 366.510 0.215 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000529339816 490854702 /nfs/dbraw/zinc/85/47/02/490854702.db2.gz BEBTUCSTHKIEGH-INIZCTEOSA-N 2 0 353.511 0.616 10 0 FCAERP O=C(NCCCn1ccnn1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000542262366 490890377 /nfs/dbraw/zinc/89/03/77/490890377.db2.gz RRTFVPVGZNAUGE-UHFFFAOYSA-N 2 0 372.477 0.575 10 0 FCAERP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000530240012 490895085 /nfs/dbraw/zinc/89/50/85/490895085.db2.gz JMRFUHACPSKFOV-IBGZPJMESA-N 3 0 364.534 0.820 10 0 FCAERP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000530239350 490895199 /nfs/dbraw/zinc/89/51/99/490895199.db2.gz FIGVGMDLILCUHG-GOSISDBHSA-N 3 0 352.523 0.677 10 0 FCAERP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCCCC1 ZINC000557277197 491364523 /nfs/dbraw/zinc/36/45/23/491364523.db2.gz UOOJFMRGANXGJB-SFHVURJKSA-N 2 0 350.507 0.969 10 0 FCAERP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000572370801 491365706 /nfs/dbraw/zinc/36/57/06/491365706.db2.gz ALOYDAXUUXFRJE-UHFFFAOYSA-N 2 0 354.495 0.204 10 0 FCAERP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@@H]1c1ccccc1 ZINC000519754918 490988289 /nfs/dbraw/zinc/98/82/89/490988289.db2.gz KJZXYEVQMASAKC-MHORFTMASA-N 2 0 356.470 0.901 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+](C)C1CCCC1 ZINC000557493417 491378381 /nfs/dbraw/zinc/37/83/81/491378381.db2.gz NJNDWSBMSVKAQC-MRXNPFEDSA-N 2 0 354.495 0.204 10 0 FCAERP CN(Cc1ccc(F)cc1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000565819670 491400939 /nfs/dbraw/zinc/40/09/39/491400939.db2.gz MLEIMESYHVRGSI-UHFFFAOYSA-N 2 0 352.454 0.736 10 0 FCAERP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000668361628 493340497 /nfs/dbraw/zinc/34/04/97/493340497.db2.gz GWLRRRNHOCAPAF-QGZVFWFLSA-N 2 0 366.506 0.033 10 0 FCAERP C[N@H+](CC[C@@H]1CCNC1=O)[C@H]1CCC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000573101398 491413206 /nfs/dbraw/zinc/41/32/06/491413206.db2.gz KNVMVQLGLKOCFU-ULQDDVLXSA-N 2 0 350.507 0.825 10 0 FCAERP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000566295287 491433644 /nfs/dbraw/zinc/43/36/44/491433644.db2.gz MUJUISFTCFODBR-AWEZNQCLSA-N 2 0 353.417 0.707 10 0 FCAERP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000566296344 491433659 /nfs/dbraw/zinc/43/36/59/491433659.db2.gz HPMNUTHICOVPNX-DLBZAZTESA-N 2 0 362.474 0.372 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCN(c3ccccc3F)C2)CC1 ZINC000573835587 491458162 /nfs/dbraw/zinc/45/81/62/491458162.db2.gz RLZJVPJNPRFOPK-SJORKVTESA-N 2 0 350.482 0.992 10 0 FCAERP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1(C)C ZINC000574033323 491469980 /nfs/dbraw/zinc/46/99/80/491469980.db2.gz MBZZYJVBLUYBGW-OAHLLOKOSA-N 2 0 365.474 0.771 10 0 FCAERP C[C@@H]1CN(CCO)CCN1C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000567463740 491507701 /nfs/dbraw/zinc/50/77/01/491507701.db2.gz DQFQLHOKPODQFT-ZACQAIPSSA-N 2 0 354.495 0.338 10 0 FCAERP C[C@@H]1CN(CCO)CCN1C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000567463737 491507822 /nfs/dbraw/zinc/50/78/22/491507822.db2.gz DQFQLHOKPODQFT-BRWVUGGUSA-N 2 0 354.495 0.338 10 0 FCAERP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nc1 ZINC000567569684 491514129 /nfs/dbraw/zinc/51/41/29/491514129.db2.gz SKINILWNOACNBV-PBHICJAKSA-N 2 0 360.458 0.948 10 0 FCAERP CCC(CC)[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N1CCOCC1 ZINC000567679478 491522761 /nfs/dbraw/zinc/52/27/61/491522761.db2.gz YOJCHQWPLPESBU-RTBURBONSA-N 2 0 356.555 0.321 10 0 FCAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000567689988 491523267 /nfs/dbraw/zinc/52/32/67/491523267.db2.gz WBKOVONKHSVPIK-IBGZPJMESA-N 2 0 361.465 0.752 10 0 FCAERP C[C@@H]1C[N@H+](C[C@H](O)COC[C@H]2CCCO2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000560339778 491532796 /nfs/dbraw/zinc/53/27/96/491532796.db2.gz NCCKMPJVFXDHEQ-HCXYKTFWSA-N 2 0 355.523 0.501 10 0 FCAERP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCc4ccccc4[C@@H]3C[NH3+])C2)C1 ZINC000567876358 491536803 /nfs/dbraw/zinc/53/68/03/491536803.db2.gz RNBUYFJTVYBKER-PXNSSMCTSA-N 2 0 356.470 0.625 10 0 FCAERP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000673586703 493349047 /nfs/dbraw/zinc/34/90/47/493349047.db2.gz VGZRCZDSMONTDT-GVDBMIGSSA-N 2 0 366.506 0.081 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000575319870 491548465 /nfs/dbraw/zinc/54/84/65/491548465.db2.gz FPDVYNVKJPLKSZ-GUDVDZBRSA-N 3 0 366.550 0.781 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000575808661 491562306 /nfs/dbraw/zinc/56/23/06/491562306.db2.gz HENHCSZOQQAQFS-SFHVURJKSA-N 2 0 360.502 0.863 10 0 FCAERP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000568293544 491567399 /nfs/dbraw/zinc/56/73/99/491567399.db2.gz ABOHCQWPLDJABX-OAHLLOKOSA-N 2 0 351.495 0.513 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000561122254 491576732 /nfs/dbraw/zinc/57/67/32/491576732.db2.gz UQLPCNHJCGELMC-CABCVRRESA-N 2 0 356.511 0.306 10 0 FCAERP O=C(C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000576424183 491613785 /nfs/dbraw/zinc/61/37/85/491613785.db2.gz MNQKJOVRHSIMAQ-RTBURBONSA-N 2 0 364.534 0.962 10 0 FCAERP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000576466015 491617631 /nfs/dbraw/zinc/61/76/31/491617631.db2.gz SDZYIHOONYDPMW-UHFFFAOYSA-N 2 0 360.506 0.294 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(N3CCSCC3)CCCCC2)CC1 ZINC000577503233 491626920 /nfs/dbraw/zinc/62/69/20/491626920.db2.gz NUAZRPDGIFAGJX-GOSISDBHSA-N 2 0 370.607 0.936 10 0 FCAERP COC(=O)[C@@H]1C[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@@H]1c1ccccc1 ZINC000569088265 491632306 /nfs/dbraw/zinc/63/23/06/491632306.db2.gz DNAUHGPFATYKGX-ZACQAIPSSA-N 2 0 373.453 0.564 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000576771487 491644004 /nfs/dbraw/zinc/64/40/04/491644004.db2.gz UDFZSTYSZWQZSM-IAGOWNOFSA-N 2 0 366.506 0.155 10 0 FCAERP C[C@@H]1CC[NH+](CC(=O)N[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)C1 ZINC000569443464 491661686 /nfs/dbraw/zinc/66/16/86/491661686.db2.gz KDCDJMQFNZNSJC-BFYDXBDKSA-N 2 0 350.507 0.681 10 0 FCAERP C[NH+]1CCN(c2cccc(C(=O)N[C@@H](CO)C[NH+]3CCCCC3)n2)CC1 ZINC000578119228 491670147 /nfs/dbraw/zinc/67/01/47/491670147.db2.gz ALOOVFYUHSZPLS-MRXNPFEDSA-N 2 0 361.490 0.410 10 0 FCAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2nc(C(F)(F)F)cs2)CC1 ZINC000578350617 491675294 /nfs/dbraw/zinc/67/52/94/491675294.db2.gz SLRVLKWZAMGZIB-LLVKDONJSA-N 2 0 352.426 0.902 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCC[NH+]2CCOC)[C@@H](C)C1 ZINC000578388255 491676128 /nfs/dbraw/zinc/67/61/28/491676128.db2.gz UXZBZCZBPYIJFC-BBWFWOEESA-N 2 0 368.522 0.402 10 0 FCAERP 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DVMGRNXGPGECAH-QRVBRYPASA-N 2 0 366.550 0.923 10 0 FCAERP CN1CCN(S(=O)(=O)c2ccc(NC[C@H]3C[C@@H]([NH+](C)C)C3)nc2)CC1 ZINC000656211299 492564553 /nfs/dbraw/zinc/56/45/53/492564553.db2.gz VMXBGENHPTZNHE-GASCZTMLSA-N 2 0 367.519 0.770 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1)c1cccs1 ZINC000656284791 492569435 /nfs/dbraw/zinc/56/94/35/492569435.db2.gz ZBMDXIQWGZGBQO-HZSPNIEDSA-N 2 0 352.504 0.923 10 0 FCAERP COCC[N@@H+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)(C)C1 ZINC000649848866 492588017 /nfs/dbraw/zinc/58/80/17/492588017.db2.gz DPAUGTWOLDPSQG-UHFFFAOYSA-N 2 0 352.523 0.772 10 0 FCAERP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000656342772 492604092 /nfs/dbraw/zinc/60/40/92/492604092.db2.gz DVALRYLMYQTWBA-GEEKYZPCSA-N 2 0 354.495 0.058 10 0 FCAERP C[C@@H]1CCC[C@@](CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)([NH+](C)C)C1 ZINC000650725140 492663720 /nfs/dbraw/zinc/66/37/20/492663720.db2.gz UHTNVIZTRRRZLA-VQIMIIECSA-N 2 0 367.538 0.912 10 0 FCAERP C[C@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C[NH+]1CCCCC1 ZINC000650710533 492664174 /nfs/dbraw/zinc/66/41/74/492664174.db2.gz QXRFOECABQKFAU-MRXNPFEDSA-N 2 0 353.511 0.524 10 0 FCAERP CN(CCOCC[NH3+])C(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000629787245 492671930 /nfs/dbraw/zinc/67/19/30/492671930.db2.gz ALMGZVQMJJCRBK-KRWDZBQOSA-N 2 0 362.474 0.153 10 0 FCAERP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000629801869 492679013 /nfs/dbraw/zinc/67/90/13/492679013.db2.gz CPDBKCQBNFTZBV-RDJZCZTQSA-N 2 0 366.506 0.156 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)CC1 ZINC000629806075 492682165 /nfs/dbraw/zinc/68/21/65/492682165.db2.gz UHSCSZCPSUTMIY-INIZCTEOSA-N 2 0 366.506 0.158 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000629809259 492683175 /nfs/dbraw/zinc/68/31/75/492683175.db2.gz OQKCNYYKJWYGMY-HOTGVXAUSA-N 2 0 366.506 0.286 10 0 FCAERP C[C@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[C@@H]1C[NH3+] ZINC000629816788 492687260 /nfs/dbraw/zinc/68/72/60/492687260.db2.gz JLLOGZZGQATNPJ-HOTGVXAUSA-N 2 0 366.506 0.143 10 0 FCAERP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1=O ZINC000650995730 492692742 /nfs/dbraw/zinc/69/27/42/492692742.db2.gz NWRYVXJFTRJIEJ-PKOBYXMFSA-N 2 0 373.501 0.847 10 0 FCAERP O=S(=O)(Cc1ccon1)NCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657389913 492751057 /nfs/dbraw/zinc/75/10/57/492751057.db2.gz QGKDXENPEILPMU-UHFFFAOYSA-N 2 0 362.415 0.465 10 0 FCAERP Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000651480385 492764673 /nfs/dbraw/zinc/76/46/73/492764673.db2.gz ZUAJRBZYQGDOEE-INIZCTEOSA-N 2 0 363.506 0.898 10 0 FCAERP CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644710882 492799770 /nfs/dbraw/zinc/79/97/70/492799770.db2.gz MHTHXQPZIYGXEC-IRXDYDNUSA-N 2 0 355.504 0.445 10 0 FCAERP C[N@@H+]1C[C@H]2CCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)[C@@H]2C1 ZINC000644736389 492803716 /nfs/dbraw/zinc/80/37/16/492803716.db2.gz ZGULKCLGLDYFID-QZTJIDSGSA-N 2 0 364.534 0.774 10 0 FCAERP C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1=O ZINC000651793233 492823859 /nfs/dbraw/zinc/82/38/59/492823859.db2.gz BRBHHOIRQOLVJG-UHFFFAOYSA-N 2 0 368.503 0.143 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cn1 ZINC000658124369 492842786 /nfs/dbraw/zinc/84/27/86/492842786.db2.gz AGMAAGUKCWFEPL-AWEZNQCLSA-N 2 0 350.467 0.372 10 0 FCAERP Cn1c2cc(C[N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)ccc2oc1=O ZINC000631820968 492859078 /nfs/dbraw/zinc/85/90/78/492859078.db2.gz LMMCYMZEYKXAOT-OAHLLOKOSA-N 2 0 358.442 0.775 10 0 FCAERP CC[NH+](CC)Cc1ccc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000631909599 492875753 /nfs/dbraw/zinc/87/57/53/492875753.db2.gz JEVFPVJSAMHJFG-QGZVFWFLSA-N 2 0 355.504 0.936 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000631911489 492877756 /nfs/dbraw/zinc/87/77/56/492877756.db2.gz HNUKQVKTICVKKA-QGZVFWFLSA-N 2 0 353.488 0.343 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000631914324 492880874 /nfs/dbraw/zinc/88/08/74/492880874.db2.gz PIVHGTGZBRYIBC-KRWDZBQOSA-N 2 0 359.536 0.893 10 0 FCAERP C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631916193 492881903 /nfs/dbraw/zinc/88/19/03/492881903.db2.gz TUDVRXCGKPBRDR-MRXNPFEDSA-N 2 0 359.467 0.508 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000631917527 492882810 /nfs/dbraw/zinc/88/28/10/492882810.db2.gz QMGSNGFEWVSFBD-GJZGRUSLSA-N 2 0 373.544 0.868 10 0 FCAERP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000631918760 492884091 /nfs/dbraw/zinc/88/40/91/492884091.db2.gz LQTMXVMNPYPITD-IRXDYDNUSA-N 2 0 359.536 0.939 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000631923088 492885549 /nfs/dbraw/zinc/88/55/49/492885549.db2.gz MIDBXOQAOURJGZ-SFHVURJKSA-N 2 0 372.579 0.904 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000631950273 492897006 /nfs/dbraw/zinc/89/70/06/492897006.db2.gz DSOULWJPSGHMHP-QGZVFWFLSA-N 2 0 368.503 0.201 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000631961556 492898748 /nfs/dbraw/zinc/89/87/48/492898748.db2.gz UMOOFMGEZBXQNJ-OAHLLOKOSA-N 2 0 357.524 0.954 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631993600 492906714 /nfs/dbraw/zinc/90/67/14/492906714.db2.gz VHIAOQSAQSTILT-CVEARBPZSA-N 2 0 369.535 0.824 10 0 FCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658488088 492911143 /nfs/dbraw/zinc/91/11/43/492911143.db2.gz YWVKKYIZVXFJBE-IRXDYDNUSA-N 2 0 368.522 0.356 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000632026652 492913838 /nfs/dbraw/zinc/91/38/38/492913838.db2.gz JVEPGKOCBQQEBC-IAGOWNOFSA-N 2 0 360.568 0.616 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H](C)[C@H]2CC[NH3+])C1 ZINC000652354836 492914526 /nfs/dbraw/zinc/91/45/26/492914526.db2.gz JMYDVOHGWWUAJB-RCCFBDPRSA-N 2 0 354.539 0.909 10 0 FCAERP COCCCS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363076 492915679 /nfs/dbraw/zinc/91/56/79/492915679.db2.gz XHWRGAILEWEIMJ-OAGGEKHMSA-N 2 0 363.524 0.303 10 0 FCAERP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000652362554 492915895 /nfs/dbraw/zinc/91/58/95/492915895.db2.gz JONOCGQCWCDSJR-BMFZPTHFSA-N 2 0 371.507 0.059 10 0 FCAERP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N(C)CC3C[NH+](C)C3)C2)CC1 ZINC000658517056 492923803 /nfs/dbraw/zinc/92/38/03/492923803.db2.gz IEFZGAVUQYVDBV-QGZVFWFLSA-N 2 0 364.534 0.977 10 0 FCAERP CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632104584 492930236 /nfs/dbraw/zinc/93/02/36/492930236.db2.gz JUFGBTRKJYOBNO-QZTJIDSGSA-N 2 0 367.515 0.853 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000645622602 492945101 /nfs/dbraw/zinc/94/51/01/492945101.db2.gz LMVCEJWQXJXKSV-GOEBONIOSA-N 2 0 374.489 0.641 10 0 FCAERP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000632231879 492954940 /nfs/dbraw/zinc/95/49/40/492954940.db2.gz GIICAHLWLXYPGX-MRXNPFEDSA-N 2 0 372.535 0.037 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652668789 492983312 /nfs/dbraw/zinc/98/33/12/492983312.db2.gz MQVBHAQJPQGEJC-XDNAFOTISA-N 2 0 374.485 0.370 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)C[C@H]1C[NH3+] ZINC000652675769 492985646 /nfs/dbraw/zinc/98/56/46/492985646.db2.gz DWUNGJXLWKWUSP-GDBMZVCRSA-N 2 0 354.495 0.045 10 0 FCAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000652675220 492986029 /nfs/dbraw/zinc/98/60/29/492986029.db2.gz QYGQNLGFNAFQFR-HNNXBMFYSA-N 2 0 354.495 0.204 10 0 FCAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652678475 492987297 /nfs/dbraw/zinc/98/72/97/492987297.db2.gz CTXAVRQPUHWICC-OAHLLOKOSA-N 2 0 373.501 0.968 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652682839 492988913 /nfs/dbraw/zinc/98/89/13/492988913.db2.gz WSKKQVGWDLURAM-QBPKDAKJSA-N 2 0 368.522 0.293 10 0 FCAERP COc1cc[nH+]c(N2CCN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)CC2)c1 ZINC000645934806 492989482 /nfs/dbraw/zinc/98/94/82/492989482.db2.gz BGBGBDHXCCOLOL-AWEZNQCLSA-N 2 0 371.445 0.569 10 0 FCAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000658644075 492989496 /nfs/dbraw/zinc/98/94/96/492989496.db2.gz LUOHEFVAOGQJCI-BZUAXINKSA-N 2 0 350.507 0.918 10 0 FCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652684651 492989718 /nfs/dbraw/zinc/98/97/18/492989718.db2.gz UCQXGRKXIQTGHB-WBVHZDCISA-N 2 0 358.486 0.868 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000652688997 492991339 /nfs/dbraw/zinc/99/13/39/492991339.db2.gz NBTVPTQATURLHM-HUUCEWRRSA-N 2 0 354.495 0.047 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000652692245 492991920 /nfs/dbraw/zinc/99/19/20/492991920.db2.gz NPUXCTLBCITWRK-ARFHVFGLSA-N 2 0 354.495 0.189 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652692955 492991983 /nfs/dbraw/zinc/99/19/83/492991983.db2.gz IOEFNQVLRBIYQA-QZWWFDLISA-N 2 0 368.522 0.578 10 0 FCAERP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652692957 492992092 /nfs/dbraw/zinc/99/20/92/492992092.db2.gz IOEFNQVLRBIYQA-YYIAUSFCSA-N 2 0 368.522 0.578 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[NH+](C)[C@H]2CC)CC[N@@H+]1C ZINC000632435684 492997106 /nfs/dbraw/zinc/99/71/06/492997106.db2.gz KVONGHRLBXHOBL-SIRPWMCASA-N 2 0 368.522 0.040 10 0 FCAERP [NH3+]CC1(CCNC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000652710815 492997539 /nfs/dbraw/zinc/99/75/39/492997539.db2.gz BNDFFBLKTULOJY-HDICACEKSA-N 2 0 370.497 0.822 10 0 FCAERP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@]3([NH3+])[C@H]4CCCO[C@@H]4C3(C)C)CC2)C1 ZINC000646002844 492999061 /nfs/dbraw/zinc/99/90/61/492999061.db2.gz HFKGFMLUCCRTGR-OGNFBWPZSA-N 2 0 364.534 0.757 10 0 FCAERP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000652720505 493002413 /nfs/dbraw/zinc/00/24/13/493002413.db2.gz GHWUUZZKLAGXQI-ROUUACIJSA-N 2 0 358.486 0.965 10 0 FCAERP CCO[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C[C@H]1C[NH3+] ZINC000652726700 493005584 /nfs/dbraw/zinc/00/55/84/493005584.db2.gz JLIGSJUNAMQKPD-NVXWUHKLSA-N 2 0 366.506 0.286 10 0 FCAERP [NH3+]CCC1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000652726672 493005705 /nfs/dbraw/zinc/00/57/05/493005705.db2.gz HNBJGDXFWJKMBF-UHFFFAOYSA-N 2 0 350.507 0.908 10 0 FCAERP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000652728167 493006433 /nfs/dbraw/zinc/00/64/33/493006433.db2.gz WKTSMCXGDOKWNS-QGZVFWFLSA-N 2 0 366.506 0.300 10 0 FCAERP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)CC1 ZINC000652728017 493006921 /nfs/dbraw/zinc/00/69/21/493006921.db2.gz PNOLSZUFPPDILG-GDBMZVCRSA-N 2 0 354.495 0.141 10 0 FCAERP C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000626797738 493020543 /nfs/dbraw/zinc/02/05/43/493020543.db2.gz SNWGFABPEQQCKH-UHFFFAOYSA-N 2 0 360.458 0.907 10 0 FCAERP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000626795280 493020613 /nfs/dbraw/zinc/02/06/13/493020613.db2.gz RDWZGYIBDMRWAO-HOTGVXAUSA-N 2 0 358.442 0.850 10 0 FCAERP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626800831 493021600 /nfs/dbraw/zinc/02/16/00/493021600.db2.gz PTLWKNMMRIKULY-CQSZACIVSA-N 2 0 360.458 0.955 10 0 FCAERP C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000626811236 493024594 /nfs/dbraw/zinc/02/45/94/493024594.db2.gz BOPKYXCMRJJZGE-UHFFFAOYSA-N 2 0 360.458 0.955 10 0 FCAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626817965 493026197 /nfs/dbraw/zinc/02/61/97/493026197.db2.gz WLTJGEDAUMJPDL-CZUORRHYSA-N 2 0 360.458 0.906 10 0 FCAERP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000626849053 493035495 /nfs/dbraw/zinc/03/54/95/493035495.db2.gz LIFBSWAGCASIJJ-INIZCTEOSA-N 2 0 360.458 0.966 10 0 FCAERP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000632591577 493037934 /nfs/dbraw/zinc/03/79/34/493037934.db2.gz BEBWSZBACBRNDQ-SFHVURJKSA-N 2 0 372.579 0.950 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000646292956 493038003 /nfs/dbraw/zinc/03/80/03/493038003.db2.gz MXOZLPFCYHKIRX-CYBMUJFWSA-N 2 0 351.455 0.028 10 0 FCAERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000646291578 493038187 /nfs/dbraw/zinc/03/81/87/493038187.db2.gz SYPVWFXPWBWPSG-CYBMUJFWSA-N 2 0 357.418 0.851 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000658751980 493041435 /nfs/dbraw/zinc/04/14/35/493041435.db2.gz SVHYGBDEXGVYLE-DLBZAZTESA-N 2 0 368.522 0.497 10 0 FCAERP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC1(C[NH3+])CCOCC1 ZINC000626883791 493050076 /nfs/dbraw/zinc/05/00/76/493050076.db2.gz HWWCRVBMSPJQBV-UHFFFAOYSA-N 2 0 364.446 0.319 10 0 FCAERP CCN(C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000658801768 493059705 /nfs/dbraw/zinc/05/97/05/493059705.db2.gz JRXZPQKKOXKMDE-SJORKVTESA-N 2 0 350.507 0.729 10 0 FCAERP CCN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658803190 493061877 /nfs/dbraw/zinc/06/18/77/493061877.db2.gz NVKLHIFKELBXAC-HZPDHXFCSA-N 2 0 354.495 0.108 10 0 FCAERP [NH3+]C1(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCOCC1 ZINC000626921239 493063909 /nfs/dbraw/zinc/06/39/09/493063909.db2.gz VISFHTFVCXITEY-UHFFFAOYSA-N 2 0 354.495 0.829 10 0 FCAERP CC(C)[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+]1CCN(C)CC1 ZINC000626930142 493065881 /nfs/dbraw/zinc/06/58/81/493065881.db2.gz XMDSGCRCQXURIO-YTQUADARSA-N 2 0 351.539 0.899 10 0 FCAERP C[NH+](C)CCOc1ccc(CNC(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000626931989 493066867 /nfs/dbraw/zinc/06/68/67/493066867.db2.gz PNTLLQQFKHOZKA-UHFFFAOYSA-N 2 0 350.463 0.934 10 0 FCAERP CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626951558 493070354 /nfs/dbraw/zinc/07/03/54/493070354.db2.gz AJTAWHFSYYRJAF-HNNXBMFYSA-N 2 0 354.499 0.069 10 0 FCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626966456 493071195 /nfs/dbraw/zinc/07/11/95/493071195.db2.gz VJXBPMIKCHJAEB-OAHLLOKOSA-N 2 0 354.499 0.069 10 0 FCAERP C[NH+](C)CCOc1ccc(CCNC(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000626970145 493072056 /nfs/dbraw/zinc/07/20/56/493072056.db2.gz KAADILUIOKHBCT-UHFFFAOYSA-N 2 0 364.490 0.977 10 0 FCAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCOCC2)[C@H](C)C1 ZINC000626979441 493074042 /nfs/dbraw/zinc/07/40/42/493074042.db2.gz BOYROBBLDKSYGJ-HZPDHXFCSA-N 2 0 356.511 0.931 10 0 FCAERP [NH3+]CCCOCCNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000626994941 493076914 /nfs/dbraw/zinc/07/69/14/493076914.db2.gz KSUZHWMSDLILAW-UHFFFAOYSA-N 2 0 364.490 0.808 10 0 FCAERP [NH3+]C1(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000627011577 493080189 /nfs/dbraw/zinc/08/01/89/493080189.db2.gz DSNADCFUJNISBM-QGZVFWFLSA-N 2 0 362.474 0.560 10 0 FCAERP [NH3+]C1(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCOCC1 ZINC000627161361 493098988 /nfs/dbraw/zinc/09/89/88/493098988.db2.gz KHVHBMWPFNECGU-UHFFFAOYSA-N 2 0 354.495 0.781 10 0 FCAERP C[NH2+]CCOCCNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000627171565 493099677 /nfs/dbraw/zinc/09/96/77/493099677.db2.gz YZNRJYRLXCFGLE-KRWDZBQOSA-N 2 0 350.463 0.288 10 0 FCAERP C[NH2+]CCOCCNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000627177895 493101653 /nfs/dbraw/zinc/10/16/53/493101653.db2.gz MPVXRZMGMCJNHZ-UHFFFAOYSA-N 2 0 363.506 0.966 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cn2)CC1 ZINC000633002802 493101861 /nfs/dbraw/zinc/10/18/61/493101861.db2.gz LURTWCPGXWJNTD-BBRMVZONSA-N 2 0 360.462 0.299 10 0 FCAERP C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cccc21 ZINC000633031591 493107076 /nfs/dbraw/zinc/10/70/76/493107076.db2.gz PBGJXZCXHKREKP-ZENOOKHLSA-N 2 0 358.442 0.973 10 0 FCAERP [NH3+]CCCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000627214354 493109006 /nfs/dbraw/zinc/10/90/06/493109006.db2.gz JYESLYNUWZLNOP-ZWKOTPCHSA-N 2 0 364.490 0.534 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCO1 ZINC000658926597 493112049 /nfs/dbraw/zinc/11/20/49/493112049.db2.gz DKWSIUGYBCLKAP-QFBILLFUSA-N 2 0 366.506 0.110 10 0 FCAERP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)n2)CC1 ZINC000627262237 493122990 /nfs/dbraw/zinc/12/29/90/493122990.db2.gz JZQGBHRXIGNYBH-HZPDHXFCSA-N 2 0 359.474 0.115 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 ZINC000633098099 493124147 /nfs/dbraw/zinc/12/41/47/493124147.db2.gz KCSRHYCGJAWHJC-IAGOWNOFSA-N 2 0 368.522 0.676 10 0 FCAERP C[NH+]1C[C@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@H]5C[N@@H+](C)C[C@@H]54)o3)[C@@H]2C1 ZINC000646915799 493125301 /nfs/dbraw/zinc/12/53/01/493125301.db2.gz VHUYCLMIOFMHOL-GEEKYZPCSA-N 2 0 372.469 0.832 10 0 FCAERP [NH3+]C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C(F)(F)F ZINC000659025262 493127224 /nfs/dbraw/zinc/12/72/24/493127224.db2.gz PMKFYYQOQHUAHA-UONOGXRCSA-N 2 0 360.380 0.942 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+](C)CCOC)C2)CC[N@@H+]1C ZINC000633105868 493128791 /nfs/dbraw/zinc/12/87/91/493128791.db2.gz JQNAJJCSHYMXOD-HRCADAONSA-N 2 0 354.495 0.012 10 0 FCAERP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000633106796 493129293 /nfs/dbraw/zinc/12/92/93/493129293.db2.gz WNZBXUVHZFQGBX-OAHLLOKOSA-N 2 0 352.479 0.040 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633120858 493133881 /nfs/dbraw/zinc/13/38/81/493133881.db2.gz VIJWQBLVSBKJDQ-GJZGRUSLSA-N 2 0 352.479 0.038 10 0 FCAERP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1cccs1 ZINC000627290141 493136118 /nfs/dbraw/zinc/13/61/18/493136118.db2.gz GFWWRHVNVFNYKY-TZMCWYRMSA-N 2 0 350.488 0.868 10 0 FCAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659071090 493138542 /nfs/dbraw/zinc/13/85/42/493138542.db2.gz FMSQPYCKCYLXQR-KBXCAEBGSA-N 2 0 372.469 0.887 10 0 FCAERP C[C@@H](CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[NH+]1CCCC1 ZINC000659070904 493139115 /nfs/dbraw/zinc/13/91/15/493139115.db2.gz DHKRHZXCNLMKRV-WMLDXEAASA-N 2 0 360.458 0.887 10 0 FCAERP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659072275 493140004 /nfs/dbraw/zinc/14/00/04/493140004.db2.gz DPEWELAPRXVGBQ-QGZVFWFLSA-N 2 0 360.458 0.840 10 0 FCAERP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659076303 493140969 /nfs/dbraw/zinc/14/09/69/493140969.db2.gz LHJQJBHWGVLMDR-IAGOWNOFSA-N 2 0 360.458 0.839 10 0 FCAERP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659076304 493141399 /nfs/dbraw/zinc/14/13/99/493141399.db2.gz LHJQJBHWGVLMDR-IRXDYDNUSA-N 2 0 360.458 0.839 10 0 FCAERP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000627305460 493143229 /nfs/dbraw/zinc/14/32/29/493143229.db2.gz YHJWSPUSGKYDEW-KRWDZBQOSA-N 2 0 364.465 0.960 10 0 FCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627311915 493145763 /nfs/dbraw/zinc/14/57/63/493145763.db2.gz KOEZZLDZWLDZOK-WBVHZDCISA-N 2 0 362.474 0.420 10 0 FCAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311573 493146016 /nfs/dbraw/zinc/14/60/16/493146016.db2.gz CALOIFNAUDXOPH-QGWWYQLQSA-N 2 0 350.507 0.681 10 0 FCAERP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627315055 493148433 /nfs/dbraw/zinc/14/84/33/493148433.db2.gz USQWVKMJFQNQRE-INIZCTEOSA-N 2 0 366.506 0.393 10 0 FCAERP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)CC(C)C ZINC000627325064 493153947 /nfs/dbraw/zinc/15/39/47/493153947.db2.gz XICHBZAFZQBATG-HNNXBMFYSA-N 2 0 356.511 0.483 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000627326280 493154570 /nfs/dbraw/zinc/15/45/70/493154570.db2.gz LDMABBDAPOGNEF-QGZVFWFLSA-N 2 0 374.485 0.391 10 0 FCAERP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C(C)(C)C ZINC000627326013 493154581 /nfs/dbraw/zinc/15/45/81/493154581.db2.gz CFRFIHYHUKKRCC-ZMYBRWDISA-N 2 0 352.523 0.927 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659106598 493155729 /nfs/dbraw/zinc/15/57/29/493155729.db2.gz SSRLBHHHWXITLX-OAHLLOKOSA-N 2 0 364.494 0.968 10 0 FCAERP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659106854 493155792 /nfs/dbraw/zinc/15/57/92/493155792.db2.gz ZQZWIOCVFIBWKZ-UHFFFAOYSA-N 2 0 360.462 0.347 10 0 FCAERP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627338360 493160796 /nfs/dbraw/zinc/16/07/96/493160796.db2.gz CXCSJIGESCLARO-MAUKXSAKSA-N 2 0 358.486 0.942 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[C@H]1c1ccc(F)cc1 ZINC000647093591 493162546 /nfs/dbraw/zinc/16/25/46/493162546.db2.gz SDDYGMIGFUANQJ-GVDBMIGSSA-N 2 0 362.449 0.727 10 0 FCAERP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627357334 493175001 /nfs/dbraw/zinc/17/50/01/493175001.db2.gz CXNHXNQIDNUJQX-GOSISDBHSA-N 2 0 370.497 0.952 10 0 FCAERP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1 ZINC000627357743 493175047 /nfs/dbraw/zinc/17/50/47/493175047.db2.gz OQICTJQXTCBIDY-JKSUJKDBSA-N 2 0 362.449 0.945 10 0 FCAERP [NH3+]C1(CNC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCOCC1 ZINC000627358841 493176434 /nfs/dbraw/zinc/17/64/34/493176434.db2.gz UPCCSEZJMRJZID-QGZVFWFLSA-N 2 0 374.485 0.564 10 0 FCAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000627385773 493193291 /nfs/dbraw/zinc/19/32/91/493193291.db2.gz VQOHBBBCUOTESG-LSDHHAIUSA-N 2 0 352.479 0.004 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCOC2C[NH2+]C2)cc1F ZINC000659356332 493196661 /nfs/dbraw/zinc/19/66/61/493196661.db2.gz AUOIDBCOILBNRT-HOCLYGCPSA-N 2 0 351.422 0.775 10 0 FCAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000659353678 493196930 /nfs/dbraw/zinc/19/69/30/493196930.db2.gz QVMKRSRYTSGVQU-IRXDYDNUSA-N 2 0 372.473 0.901 10 0 FCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C2 ZINC000627390703 493198618 /nfs/dbraw/zinc/19/86/18/493198618.db2.gz VDJBSWBNKKPURM-KDURUIRLSA-N 2 0 350.507 0.870 10 0 FCAERP Cc1cc(NCCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)nc(C(C)C)n1 ZINC000627403238 493204017 /nfs/dbraw/zinc/20/40/17/493204017.db2.gz BVSMRBLVEWLZFD-AWEZNQCLSA-N 2 0 362.478 0.695 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000627404819 493204736 /nfs/dbraw/zinc/20/47/36/493204736.db2.gz OPLWLHAQZFENAV-HZPDHXFCSA-N 2 0 366.506 0.476 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000627406677 493205290 /nfs/dbraw/zinc/20/52/90/493205290.db2.gz OFLWUGUNYFEDRP-INIZCTEOSA-N 2 0 366.506 0.206 10 0 FCAERP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627414283 493208163 /nfs/dbraw/zinc/20/81/63/493208163.db2.gz JJEZMVYGRAIHLP-UHFFFAOYSA-N 2 0 354.495 0.333 10 0 FCAERP O=C(NC[C@@H]1C[NH2+]CCO1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659555337 493211410 /nfs/dbraw/zinc/21/14/10/493211410.db2.gz PUJUNXISRMVLSJ-SFHVURJKSA-N 2 0 373.501 0.629 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000627425324 493214020 /nfs/dbraw/zinc/21/40/20/493214020.db2.gz MAFZOAQYWSWCJC-NDBYEHHHSA-N 2 0 364.412 0.429 10 0 FCAERP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659577392 493216262 /nfs/dbraw/zinc/21/62/62/493216262.db2.gz RUNSYHGZJVVZRD-RCCFBDPRSA-N 2 0 373.501 0.629 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000659587791 493216661 /nfs/dbraw/zinc/21/66/61/493216661.db2.gz IEEOMNONXBSWLW-XDKFSHSGSA-N 2 0 362.474 0.898 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000659588577 493217443 /nfs/dbraw/zinc/21/74/43/493217443.db2.gz FXHWFKHHXUVADQ-NBMJBFSESA-N 2 0 374.485 0.601 10 0 FCAERP COc1c[nH+]ccc1N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659630780 493223460 /nfs/dbraw/zinc/22/34/60/493223460.db2.gz VJUCTNCHEWWMQL-UHFFFAOYSA-N 2 0 373.417 0.076 10 0 FCAERP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000666924430 493237953 /nfs/dbraw/zinc/23/79/53/493237953.db2.gz FPJICKBQUMRFFW-HOTGVXAUSA-N 2 0 355.527 0.862 10 0 FCAERP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659675881 493245398 /nfs/dbraw/zinc/24/53/98/493245398.db2.gz ZIHMAOIPKDEQDE-FVRSWCFKSA-N 2 0 362.499 0.869 10 0 FCAERP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659675850 493245801 /nfs/dbraw/zinc/24/58/01/493245801.db2.gz YRMIGPIRZRPRGJ-MRXNPFEDSA-N 2 0 350.507 0.825 10 0 FCAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659681553 493249288 /nfs/dbraw/zinc/24/92/88/493249288.db2.gz JSNLQLDMZXVQBX-UHFFFAOYSA-N 2 0 356.470 0.767 10 0 FCAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000659683259 493249818 /nfs/dbraw/zinc/24/98/18/493249818.db2.gz WVYYJFKGXGWICK-QCTRZYONSA-N 2 0 366.506 0.108 10 0 FCAERP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC[C@H]1F ZINC000659688906 493254379 /nfs/dbraw/zinc/25/43/79/493254379.db2.gz ODZBLQDHLJLDRA-ARFHVFGLSA-N 2 0 354.470 0.797 10 0 FCAERP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000659690834 493255511 /nfs/dbraw/zinc/25/55/11/493255511.db2.gz XVPHKURMLFTGOA-UHFFFAOYSA-N 2 0 360.458 0.193 10 0 FCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659695451 493257894 /nfs/dbraw/zinc/25/78/94/493257894.db2.gz XRQHVNOLTAPKCF-UWWQBHOKSA-N 2 0 362.518 0.824 10 0 FCAERP C[C@@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659697119 493258653 /nfs/dbraw/zinc/25/86/53/493258653.db2.gz OVLKPADTBANIJY-XTIMDLJNSA-N 2 0 370.497 0.963 10 0 FCAERP CC[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[N@@H+]1CCc2ccccc2C1 ZINC000659696973 493258836 /nfs/dbraw/zinc/25/88/36/493258836.db2.gz FBEIDXAVUPAQIB-BPVAQJAMSA-N 2 0 370.497 0.889 10 0 FCAERP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000682049519 493265655 /nfs/dbraw/zinc/26/56/55/493265655.db2.gz NKHLEOVDOHUWAH-CQSZACIVSA-N 2 0 352.483 0.754 10 0 FCAERP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000659716503 493269369 /nfs/dbraw/zinc/26/93/69/493269369.db2.gz WSKWWYINXNMRSC-JKSUJKDBSA-N 2 0 366.506 0.380 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000659716273 493269528 /nfs/dbraw/zinc/26/95/28/493269528.db2.gz VXLYCTSZVCXJEO-HRCADAONSA-N 2 0 354.495 0.060 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCO1 ZINC000659719254 493270725 /nfs/dbraw/zinc/27/07/25/493270725.db2.gz GHIAZFPZIXEIJO-HOTGVXAUSA-N 2 0 354.495 0.189 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCO1 ZINC000659719259 493271189 /nfs/dbraw/zinc/27/11/89/493271189.db2.gz GHIAZFPZIXEIJO-JKSUJKDBSA-N 2 0 354.495 0.189 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000659724602 493273531 /nfs/dbraw/zinc/27/35/31/493273531.db2.gz RZYYRGNEDUNIEZ-MAUKXSAKSA-N 2 0 354.495 0.062 10 0 FCAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000659728162 493275174 /nfs/dbraw/zinc/27/51/74/493275174.db2.gz VMBFLVZVNBQWMU-OIISXLGYSA-N 2 0 350.507 0.681 10 0 FCAERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659742567 493281976 /nfs/dbraw/zinc/28/19/76/493281976.db2.gz UUYLCFBQJBKCSW-QGZVFWFLSA-N 2 0 368.522 0.483 10 0 FCAERP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659743184 493282010 /nfs/dbraw/zinc/28/20/10/493282010.db2.gz YAABPMAAHRBSPN-UHFFFAOYSA-N 2 0 350.488 0.507 10 0 FCAERP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000660090047 493323136 /nfs/dbraw/zinc/32/31/36/493323136.db2.gz GVSZTWFCMUWGQS-QGZVFWFLSA-N 2 0 367.515 0.968 10 0 FCAERP CCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000668511945 493368066 /nfs/dbraw/zinc/36/80/66/493368066.db2.gz NOIUMYWRCXFXPF-QGZVFWFLSA-N 2 0 367.538 0.073 10 0 FCAERP CCN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000668511958 493368141 /nfs/dbraw/zinc/36/81/41/493368141.db2.gz LDYSMZNTUWEPET-MRXNPFEDSA-N 2 0 354.495 0.158 10 0 FCAERP COCC1([NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCOCC1 ZINC000660632058 493368374 /nfs/dbraw/zinc/36/83/74/493368374.db2.gz SQIPWJDGRKYUTJ-INIZCTEOSA-N 2 0 357.495 0.245 10 0 FCAERP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000673863594 493368618 /nfs/dbraw/zinc/36/86/18/493368618.db2.gz IASOUYPJABAOOI-AWEZNQCLSA-N 2 0 371.445 0.976 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660700457 493373278 /nfs/dbraw/zinc/37/32/78/493373278.db2.gz KQNIGKJEKPVMOP-IRXDYDNUSA-N 2 0 354.495 0.650 10 0 FCAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC000668544855 493373461 /nfs/dbraw/zinc/37/34/61/493373461.db2.gz LKADDSZOFQUSBW-IXDOHACOSA-N 2 0 366.506 0.299 10 0 FCAERP CC(C[NH+]1CC[C@@H](Cn2ccnn2)C1)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661145607 493411637 /nfs/dbraw/zinc/41/16/37/493411637.db2.gz MQUXMAHCLWTLGS-QZTJIDSGSA-N 2 0 358.494 0.850 10 0 FCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668795279 493412265 /nfs/dbraw/zinc/41/22/65/493412265.db2.gz YDXMIVZUMQBFTE-IAGOWNOFSA-N 2 0 366.506 0.035 10 0 FCAERP C[C@@H](NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000669144614 493468487 /nfs/dbraw/zinc/46/84/87/493468487.db2.gz RAZJNKUBMTXORX-HZPDHXFCSA-N 2 0 370.538 0.648 10 0 FCAERP C[C@H](NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000669144613 493468504 /nfs/dbraw/zinc/46/85/04/493468504.db2.gz RAZJNKUBMTXORX-HOTGVXAUSA-N 2 0 370.538 0.648 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)[C@H](C)C1 ZINC000685310629 493474451 /nfs/dbraw/zinc/47/44/51/493474451.db2.gz XYGVWEVIWCDFGC-SRABZTEZSA-N 2 0 350.507 0.774 10 0 FCAERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662146504 493492080 /nfs/dbraw/zinc/49/20/80/493492080.db2.gz VEDYESYRHQDUEH-HNNXBMFYSA-N 2 0 365.522 0.870 10 0 FCAERP CN(CCCNC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)S(C)(=O)=O ZINC000662298395 493505012 /nfs/dbraw/zinc/50/50/12/493505012.db2.gz VXQVXMDUXWXHQR-INIZCTEOSA-N 2 0 374.551 0.096 10 0 FCAERP C[C@@H]1COCCN1CCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000669461701 493505065 /nfs/dbraw/zinc/50/50/65/493505065.db2.gz UGPCEOPZMLVVFI-KLAILNCOSA-N 2 0 353.511 0.223 10 0 FCAERP O=C(NCCC[NH2+]Cc1cccnc1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662397401 493512255 /nfs/dbraw/zinc/51/22/55/493512255.db2.gz CPRKGAHJOOFBFD-MRXNPFEDSA-N 2 0 357.462 0.897 10 0 FCAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662437161 493515195 /nfs/dbraw/zinc/51/51/95/493515195.db2.gz NAJKNZZDTXYKLN-DZGCQCFKSA-N 2 0 362.478 0.159 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cn1 ZINC000676091193 493522705 /nfs/dbraw/zinc/52/27/05/493522705.db2.gz DDWIKGCGQUOTHD-UHFFFAOYSA-N 2 0 362.478 0.374 10 0 FCAERP CC(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[NH+]1CCCC1 ZINC000676091430 493523703 /nfs/dbraw/zinc/52/37/03/493523703.db2.gz LBIFHGVVHCCWGE-MRXNPFEDSA-N 2 0 364.494 0.620 10 0 FCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096736 493524323 /nfs/dbraw/zinc/52/43/23/493524323.db2.gz PBDWGLFQASYJOD-MRXNPFEDSA-N 2 0 372.429 0.433 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096735 493524645 /nfs/dbraw/zinc/52/46/45/493524645.db2.gz PBDWGLFQASYJOD-INIZCTEOSA-N 2 0 372.429 0.433 10 0 FCAERP O=C(C[C@H]1C[NH2+]CCO1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662695989 493532768 /nfs/dbraw/zinc/53/27/68/493532768.db2.gz RXSRSVFFZPWPQH-SFHVURJKSA-N 2 0 358.486 0.836 10 0 FCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662711692 493533796 /nfs/dbraw/zinc/53/37/96/493533796.db2.gz MPJYDLNDKMAJIR-CABCVRRESA-N 2 0 350.467 0.433 10 0 FCAERP CCN1CC[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000670012203 493540454 /nfs/dbraw/zinc/54/04/54/493540454.db2.gz MRASGGVPBOPIKH-QGZVFWFLSA-N 2 0 374.489 0.514 10 0 FCAERP COCC1(CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC[NH2+]CC1 ZINC000662775989 493541110 /nfs/dbraw/zinc/54/11/10/493541110.db2.gz FTEYSIVYIOUKJK-CQSZACIVSA-N 2 0 350.467 0.339 10 0 FCAERP O=C(N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1([NH2+]C2CC2)CCC1 ZINC000662816121 493544906 /nfs/dbraw/zinc/54/49/06/493544906.db2.gz MTCNLSKZCZXOAA-JKSUJKDBSA-N 2 0 361.490 0.408 10 0 FCAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662947022 493559102 /nfs/dbraw/zinc/55/91/02/493559102.db2.gz GNXOMTUMWWGMHH-HOTGVXAUSA-N 2 0 356.511 0.387 10 0 FCAERP CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[C@@H]1[NH3+] ZINC000662950495 493559964 /nfs/dbraw/zinc/55/99/64/493559964.db2.gz MDMFPCODMIVFPR-PMPSAXMXSA-N 2 0 354.495 0.141 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000662993192 493565578 /nfs/dbraw/zinc/56/55/78/493565578.db2.gz OBTPBZALUIEWHR-QFBILLFUSA-N 2 0 366.506 0.158 10 0 FCAERP COc1cccc([C@@H](CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)[NH+](C)C)c1 ZINC000670622795 493581171 /nfs/dbraw/zinc/58/11/71/493581171.db2.gz MTZOLMNWVAUTKP-NVXWUHKLSA-N 2 0 362.474 0.625 10 0 FCAERP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000670991018 493621512 /nfs/dbraw/zinc/62/15/12/493621512.db2.gz GWRYCMLNWBPKDS-GOSISDBHSA-N 2 0 358.486 0.761 10 0 FCAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000671032034 493624531 /nfs/dbraw/zinc/62/45/31/493624531.db2.gz XVVVJVVSZSWVLK-INIZCTEOSA-N 2 0 354.495 0.206 10 0 FCAERP 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CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903750964 675967699 /nfs/dbraw/zinc/96/76/99/675967699.db2.gz ZCDROZOJULSRAB-YNEHKIRRSA-N 2 0 364.412 0.667 10 0 FCAERP C[NH2+]CCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(C)C ZINC000903816549 675976000 /nfs/dbraw/zinc/97/60/00/675976000.db2.gz VTDNGURZHDSZJU-NVXWUHKLSA-N 2 0 350.507 0.918 10 0 FCAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903762290 675969772 /nfs/dbraw/zinc/96/97/72/675969772.db2.gz XHRCGVXQPRKLPM-FRRDWIJNSA-N 2 0 364.412 0.714 10 0 FCAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cnn1C ZINC000903927344 675983359 /nfs/dbraw/zinc/98/33/59/675983359.db2.gz XNXRINDLHWGIPI-SFHVURJKSA-N 3 0 350.555 0.709 10 0 FCAERP CN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1C[NH+]2CCC1CC2 ZINC000865712628 672248978 /nfs/dbraw/zinc/24/89/78/672248978.db2.gz CKQAFAVCKLHFLP-LSDHHAIUSA-N 2 0 354.495 0.994 10 0 FCAERP C[NH+](C)C[C@@H]1CN(c2ncnc3c2NC(=O)CS3)C[C@H]1C[NH+](C)C ZINC000866012206 672260003 /nfs/dbraw/zinc/26/00/03/672260003.db2.gz UFNDDYBAJJZZGZ-VXGBXAGGSA-N 2 0 350.492 0.696 10 0 FCAERP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000866747158 672296555 /nfs/dbraw/zinc/29/65/55/672296555.db2.gz KTYBJKWTIHGZJA-QGZVFWFLSA-N 2 0 359.536 0.939 10 0 FCAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH2+]CCC1(C)C ZINC000866803391 672308364 /nfs/dbraw/zinc/30/83/64/672308364.db2.gz UOIJWZFEMMXXCY-UHFFFAOYSA-N 2 0 357.524 0.824 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H]1C ZINC000867488650 672324474 /nfs/dbraw/zinc/32/44/74/672324474.db2.gz BEDREIVLCSPFIG-QBPKDAKJSA-N 2 0 352.523 0.689 10 0 FCAERP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCS1 ZINC000867490960 672325118 /nfs/dbraw/zinc/32/51/18/672325118.db2.gz DTMINTAOPBEIOH-BZUAXINKSA-N 2 0 370.563 0.538 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)[C@H](C)C1 ZINC000867516505 672329566 /nfs/dbraw/zinc/32/95/66/672329566.db2.gz GILDXFHUKHPVEG-LTIDMASMSA-N 2 0 350.507 0.728 10 0 FCAERP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867540938 672334384 /nfs/dbraw/zinc/33/43/84/672334384.db2.gz XRNMJWIGUISAEO-SJORKVTESA-N 2 0 350.507 0.873 10 0 FCAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000867606792 672347272 /nfs/dbraw/zinc/34/72/72/672347272.db2.gz FDXRGUXFJUMFTG-INIZCTEOSA-N 2 0 350.507 0.873 10 0 FCAERP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C)C(C)(C)CC3)C2)C1 ZINC000867742886 672360993 /nfs/dbraw/zinc/36/09/93/672360993.db2.gz ZKQUNZWMBJASQC-IBGZPJMESA-N 2 0 350.507 0.873 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCC1(C)C ZINC000867742447 672361044 /nfs/dbraw/zinc/36/10/44/672361044.db2.gz MXTJZZXLHOUENC-INIZCTEOSA-N 2 0 350.507 0.873 10 0 FCAERP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC[NH3+])cc2F)CC1 ZINC000868243318 672390316 /nfs/dbraw/zinc/39/03/16/672390316.db2.gz FLHQKCNPESWPCZ-UHFFFAOYSA-N 2 0 351.426 0.371 10 0 FCAERP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000868370779 672396148 /nfs/dbraw/zinc/39/61/48/672396148.db2.gz UOCJXMMFCIBHKE-SFHVURJKSA-N 2 0 356.511 0.247 10 0 FCAERP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCC1(C)C ZINC000868405495 672398987 /nfs/dbraw/zinc/39/89/87/672398987.db2.gz IWUHIIKILCQWIX-MRXNPFEDSA-N 2 0 350.507 0.920 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000868966932 672416715 /nfs/dbraw/zinc/41/67/15/672416715.db2.gz CSOPASBUGVJZHF-SOUVJXGZSA-N 2 0 354.495 0.994 10 0 FCAERP COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000869761136 672449431 /nfs/dbraw/zinc/44/94/31/672449431.db2.gz CVUNISKCXMDNGH-UHFFFAOYSA-N 2 0 351.495 0.875 10 0 FCAERP COC(=O)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1C ZINC000870017471 672461684 /nfs/dbraw/zinc/46/16/84/672461684.db2.gz ORVOGMBIFNPGPU-ZIAGYGMSSA-N 2 0 350.463 0.623 10 0 FCAERP Cc1nc(SCCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n[nH]1 ZINC000870020896 672461739 /nfs/dbraw/zinc/46/17/39/672461739.db2.gz HXNXLFHNJVIELY-ZIAGYGMSSA-N 2 0 354.524 0.793 10 0 FCAERP C[C@@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022951 672462147 /nfs/dbraw/zinc/46/21/47/672462147.db2.gz GBDKBPJDFKCPJT-FVQBIDKESA-N 2 0 350.463 0.596 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CCCN2C(=O)CCC2=O)C[C@H]1C[NH+](C)C ZINC000870023756 672462464 /nfs/dbraw/zinc/46/24/64/672462464.db2.gz LMCKYAQXIJRKGM-HUUCEWRRSA-N 2 0 352.479 0.113 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872188094 672597593 /nfs/dbraw/zinc/59/75/93/672597593.db2.gz OUAMLASHCZWILM-RYUDHWBXSA-N 2 0 350.385 0.136 10 0 FCAERP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872191771 672600221 /nfs/dbraw/zinc/60/02/21/672600221.db2.gz NVJPNBLAGQCYQP-JQWIXIFHSA-N 2 0 350.385 0.135 10 0 FCAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000872192800 672601036 /nfs/dbraw/zinc/60/10/36/672601036.db2.gz KYORQNCYZYUSHC-RWMBFGLXSA-N 2 0 364.412 0.523 10 0 FCAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872253515 672608179 /nfs/dbraw/zinc/60/81/79/672608179.db2.gz BGUPRVVTVBIXAS-IMJJTQAJSA-N 2 0 352.479 0.781 10 0 FCAERP Cn1ncc(CCCNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000875619501 672899783 /nfs/dbraw/zinc/89/97/83/672899783.db2.gz ONTMMAXDPDWARH-HUUCEWRRSA-N 2 0 351.499 0.129 10 0 FCAERP CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875638365 672901073 /nfs/dbraw/zinc/90/10/73/672901073.db2.gz ZKMVFPLBXFGONC-QBPKDAKJSA-N 2 0 356.511 0.419 10 0 FCAERP C[C@@H](Cc1cnn(C)c1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875644848 672901760 /nfs/dbraw/zinc/90/17/60/672901760.db2.gz JAFZHCVDBZLACY-USXIJHARSA-N 2 0 350.511 0.732 10 0 FCAERP CCN1C[C@H](CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC000875696331 672905214 /nfs/dbraw/zinc/90/52/14/672905214.db2.gz KOVGTISIKQGYCA-ARFHVFGLSA-N 2 0 353.511 0.236 10 0 FCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)[C@@H]2CCC[NH2+]C2)cc1F ZINC000923655795 673001375 /nfs/dbraw/zinc/00/13/75/673001375.db2.gz UTDNQPDRYNZUJK-YCPHGPKFSA-N 2 0 371.478 0.951 10 0 FCAERP CC(=O)N1CCN(C(=O)C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)CC1 ZINC000879702701 673137877 /nfs/dbraw/zinc/13/78/77/673137877.db2.gz VSBAIKOTXWMKEH-UHFFFAOYSA-N 2 0 352.523 0.977 10 0 FCAERP CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925179091 673782658 /nfs/dbraw/zinc/78/26/58/673782658.db2.gz RSPIGQNHPXVNCY-HZPDHXFCSA-N 2 0 357.568 0.749 10 0 FCAERP CNC(=O)C1([NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCCC1 ZINC000074322734 673785502 /nfs/dbraw/zinc/78/55/02/673785502.db2.gz AIHGPOPPVNZKHI-OAHLLOKOSA-N 2 0 354.495 0.108 10 0 FCAERP C[NH+](C)CCn1cc(NC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)cn1 ZINC000926050968 673809851 /nfs/dbraw/zinc/80/98/51/673809851.db2.gz RIKXEVQQMKZFTI-HNNXBMFYSA-N 2 0 350.467 0.806 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[C@H]1C[NH3+] ZINC000926305104 673821158 /nfs/dbraw/zinc/82/11/58/673821158.db2.gz ZWDLEIHJMHQPDQ-RDJZCZTQSA-N 2 0 350.507 0.764 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC[C@@H]1C[NH3+] ZINC000926326545 673823024 /nfs/dbraw/zinc/82/30/24/673823024.db2.gz OOSSTGBSNWWXCZ-JKSUJKDBSA-N 2 0 350.507 0.907 10 0 FCAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000926349942 673825462 /nfs/dbraw/zinc/82/54/62/673825462.db2.gz CEWZXNWSNAEBOE-LPHOPBHVSA-N 2 0 350.507 0.921 10 0 FCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)[C@H](C)C1 ZINC000926349193 673825495 /nfs/dbraw/zinc/82/54/95/673825495.db2.gz ZBKKQRWDQMWETJ-JTDSTZFVSA-N 2 0 350.507 0.920 10 0 FCAERP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926355169 673826264 /nfs/dbraw/zinc/82/62/64/673826264.db2.gz YUGNRMCJONKMLK-OAHLLOKOSA-N 2 0 354.495 0.143 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC[C@H]1C[NH3+] ZINC000926360470 673826827 /nfs/dbraw/zinc/82/68/27/673826827.db2.gz HTFGONMRLHTCJO-PVAVHDDUSA-N 2 0 350.507 0.620 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC[C@H]1C[NH3+] ZINC000926360467 673826884 /nfs/dbraw/zinc/82/68/84/673826884.db2.gz HTFGONMRLHTCJO-HYVNUMGLSA-N 2 0 350.507 0.620 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC[C@H]1C[NH3+] ZINC000926418482 673831050 /nfs/dbraw/zinc/83/10/50/673831050.db2.gz OJQYYCFEQVMHFD-CVEARBPZSA-N 2 0 350.507 0.764 10 0 FCAERP C[NH2+]CCN(C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)C(C)C ZINC000927865660 673885136 /nfs/dbraw/zinc/88/51/36/673885136.db2.gz XCXMZKWQTPFQQG-UHFFFAOYSA-N 2 0 350.467 0.545 10 0 FCAERP CCO[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)C[NH+](C)C ZINC000929153810 673940354 /nfs/dbraw/zinc/94/03/54/673940354.db2.gz 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C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001489462958 1208846921 /nfs/dbraw/zinc/84/69/21/1208846921.db2.gz KUEDKIFCTPCUDR-GDBMZVCRSA-N 2 0 354.495 0.012 10 0 FCAERP CO[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001489522284 1208877318 /nfs/dbraw/zinc/87/73/18/1208877318.db2.gz MTVLZHOIKWHGJS-HZPDHXFCSA-N 2 0 368.522 0.402 10 0 FCAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001489533769 1208895409 /nfs/dbraw/zinc/89/54/09/1208895409.db2.gz UNMHLFPOTMQDEK-HZPDHXFCSA-N 2 0 366.506 0.156 10 0 FCAERP CO[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001489544350 1208904945 /nfs/dbraw/zinc/90/49/45/1208904945.db2.gz WHBFPPROBXVPDQ-BZUAXINKSA-N 2 0 354.495 0.155 10 0 FCAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001489599250 1209025659 /nfs/dbraw/zinc/02/56/59/1209025659.db2.gz JOYOBADHEOGXCL-IKGGRYGDSA-N 2 0 368.522 0.135 10 0 FCAERP CC[NH+](CC)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC001489651185 1209037945 /nfs/dbraw/zinc/03/79/45/1209037945.db2.gz RTSNYYCZLZYQBW-QBPKDAKJSA-N 2 0 350.507 0.728 10 0 FCAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001489616519 1209047304 /nfs/dbraw/zinc/04/73/04/1209047304.db2.gz LQQZHNTUVXKPOX-NXOAAHMSSA-N 2 0 368.522 0.137 10 0 FCAERP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001489933516 1209166915 /nfs/dbraw/zinc/16/69/15/1209166915.db2.gz BOGJWVJWPCUHTJ-HZPDHXFCSA-N 2 0 354.495 0.014 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@H]2C1 ZINC001490044544 1209225390 /nfs/dbraw/zinc/22/53/90/1209225390.db2.gz OAUFANVMURYKII-SJORKVTESA-N 2 0 352.523 0.977 10 0 FCAERP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC001490048642 1209227123 /nfs/dbraw/zinc/22/71/23/1209227123.db2.gz PTTZUHNHTQALLF-FGTMMUONSA-N 2 0 362.518 0.587 10 0 FCAERP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001490227660 1209279552 /nfs/dbraw/zinc/27/95/52/1209279552.db2.gz SGQWBGJGNKMQLZ-MDZRGWNJSA-N 2 0 352.523 0.975 10 0 FCAERP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)cc2)CC1 ZINC000850847142 1209492215 /nfs/dbraw/zinc/49/22/15/1209492215.db2.gz BKMIMKDPLRYOTI-UHFFFAOYSA-N 2 0 371.485 0.717 10 0 FCAERP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852854639 1209567336 /nfs/dbraw/zinc/56/73/36/1209567336.db2.gz LRQTWFXJMUNZHM-HNNXBMFYSA-N 2 0 361.446 0.800 10 0 FCAERP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2=NO[C@H](C[NH3+])C2)c1 ZINC000852859087 1209568326 /nfs/dbraw/zinc/56/83/26/1209568326.db2.gz OILYPESDFWPBNF-HNNXBMFYSA-N 2 0 361.446 0.800 10 0 FCAERP [NH3+]C[C@H]1CC(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)=NO1 ZINC000852872688 1209571878 /nfs/dbraw/zinc/57/18/78/1209571878.db2.gz KCSJWFGGACPXSU-QGZVFWFLSA-N 2 0 359.474 0.809 10 0 FCAERP C[NH+](C)CCC[C@H]1CN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CCO1 ZINC000853625666 1209601807 /nfs/dbraw/zinc/60/18/07/1209601807.db2.gz XZAYYIKXDABCFD-HNNXBMFYSA-N 2 0 367.494 0.003 10 0 FCAERP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(CC(=O)N3CCOCC3)C2)ccn1 ZINC000856594209 1209715892 /nfs/dbraw/zinc/71/58/92/1209715892.db2.gz DJTDLDRRNXQBDU-GOSISDBHSA-N 2 0 362.474 0.845 10 0 FCAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC(=O)NC(N)=O)C2)ccn1 ZINC000856591617 1209716686 /nfs/dbraw/zinc/71/66/86/1209716686.db2.gz OXKRCRJQWSHAOX-INIZCTEOSA-N 2 0 363.462 0.962 10 0 FCAERP O=C1OC[C@@H]2C[N@H+](Cc3cccc(C[NH+]4C[C@@H]5COC(=O)[C@@H]5C4)c3)C[C@H]12 ZINC000860165417 1209841517 /nfs/dbraw/zinc/84/15/17/1209841517.db2.gz RAOHYDJORQKETB-USTZCAOPSA-N 2 0 356.422 0.896 10 0 FCAERP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861566486 1209871492 /nfs/dbraw/zinc/87/14/92/1209871492.db2.gz LXFXSERDNUHUSV-BMFZPTHFSA-N 2 0 367.494 0.683 10 0 FCAERP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000861781591 1209881992 /nfs/dbraw/zinc/88/19/92/1209881992.db2.gz WQEZFUPPRUVARQ-UHFFFAOYSA-N 2 0 368.522 0.725 10 0 FCAERP O=C(CC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)Nc1cccnc1 ZINC000863549500 1209944673 /nfs/dbraw/zinc/94/46/73/1209944673.db2.gz LJNBEFLOAACTMW-CVEARBPZSA-N 2 0 359.430 0.667 10 0 FCAERP CNC(=O)c1cccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863549519 1209944687 /nfs/dbraw/zinc/94/46/87/1209944687.db2.gz MCENYVXNTNJCGF-SJORKVTESA-N 2 0 358.442 0.803 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000864588431 1209961146 /nfs/dbraw/zinc/96/11/46/1209961146.db2.gz BUJCBKHRILTSNK-HNNXBMFYSA-N 2 0 371.526 0.195 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000865058058 1209970383 /nfs/dbraw/zinc/97/03/83/1209970383.db2.gz GAYZISBWALGGFH-KKUMJFAQSA-N 2 0 370.494 0.421 10 0 FCAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCc2nnnn2-c2ccccc2)C1 ZINC000866708034 1210001957 /nfs/dbraw/zinc/00/19/57/1210001957.db2.gz CJTMETQKUMJJQF-HRCADAONSA-N 2 0 369.429 0.072 10 0 FCAERP Cn1c2ncn(CC[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)c2c(=O)n(C)c1=O ZINC000866706176 1210002261 /nfs/dbraw/zinc/00/22/61/1210002261.db2.gz MYVHOPCHNMKZLT-SFHVURJKSA-N 2 0 362.478 0.131 10 0 FCAERP COc1ccc([C@@H](C[NH3+])CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866712109 1210004206 /nfs/dbraw/zinc/00/42/06/1210004206.db2.gz RBVXZTYIRCZJJW-ONIAQPFYSA-N 2 0 360.458 0.604 10 0 FCAERP CCOC[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867564572 1210013655 /nfs/dbraw/zinc/01/36/55/1210013655.db2.gz MISCWCVNUHVNJK-GVDBMIGSSA-N 2 0 368.522 0.069 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H](C)[C@@H](C)O1 ZINC000867584280 1210016111 /nfs/dbraw/zinc/01/61/11/1210016111.db2.gz ZPMQBSQQXNCCPI-WRQOLXDDSA-N 2 0 368.522 0.209 10 0 FCAERP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000868229608 1210045210 /nfs/dbraw/zinc/04/52/10/1210045210.db2.gz PZFHUQFNIFOVEE-WCXIOVBPSA-N 2 0 358.442 0.419 10 0 FCAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)CC[C@H]21 ZINC000868309217 1210050872 /nfs/dbraw/zinc/05/08/72/1210050872.db2.gz HAQWODOALXSGQA-GDBMZVCRSA-N 2 0 358.442 0.660 10 0 FCAERP C[NH+](C)CCn1nccc1NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000868585079 1210069990 /nfs/dbraw/zinc/06/99/90/1210069990.db2.gz HYZDCPZMZIQVSE-ZDUSSCGKSA-N 2 0 368.482 0.838 10 0 FCAERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000868637679 1210070798 /nfs/dbraw/zinc/07/07/98/1210070798.db2.gz ZYSNLZQBAMAGPE-CABCVRRESA-N 2 0 372.510 0.404 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@H]1C[NH+](C)C ZINC000870023504 1210099928 /nfs/dbraw/zinc/09/99/28/1210099928.db2.gz APYVPRSLKQZXSI-IAGOWNOFSA-N 2 0 371.489 0.403 10 0 FCAERP CCNC(=O)NC1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCCC1 ZINC000870022866 1210100004 /nfs/dbraw/zinc/10/00/04/1210100004.db2.gz BDWCKNBWXDXXNB-HZPDHXFCSA-N 2 0 367.538 0.816 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)C[C@H]1C[NH+](C)C ZINC000870024796 1210100145 /nfs/dbraw/zinc/10/01/45/1210100145.db2.gz UEMJGLHPGPPRAB-NUJGCVRESA-N 2 0 359.470 0.966 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)C[C@H]1C[NH+](C)C ZINC000870022845 1210100254 /nfs/dbraw/zinc/10/02/54/1210100254.db2.gz AQADSPRAQVWHAN-HUUCEWRRSA-N 2 0 365.478 0.277 10 0 FCAERP COCCOc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccn1 ZINC000870022611 1210100265 /nfs/dbraw/zinc/10/02/65/1210100265.db2.gz VFGZBWDTTABYRM-IAGOWNOFSA-N 2 0 364.490 0.918 10 0 FCAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870996181 1210125172 /nfs/dbraw/zinc/12/51/72/1210125172.db2.gz FRHDGZDERKNVAS-SVGFKBNWSA-N 2 0 356.426 0.615 10 0 FCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000872190335 1210176272 /nfs/dbraw/zinc/17/62/72/1210176272.db2.gz BCISONVAAGMHQM-FRQCXROJSA-N 2 0 366.506 0.014 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)C1 ZINC000872254698 1210181962 /nfs/dbraw/zinc/18/19/62/1210181962.db2.gz BYRXHTNYOLJJPJ-DKKFBQAASA-N 2 0 367.534 0.941 10 0 FCAERP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872307853 1210190503 /nfs/dbraw/zinc/19/05/03/1210190503.db2.gz LWOUGESAMPYEKP-PQEBFOHHSA-N 2 0 356.426 0.267 10 0 FCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)C[C@H]1C[NH+](C)C ZINC000875706908 1210388381 /nfs/dbraw/zinc/38/83/81/1210388381.db2.gz HRFYEJDDZHMRNG-IIAWOOMASA-N 2 0 367.494 0.350 10 0 FCAERP CC1=CC[N@H+](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000545859803 1211424141 /nfs/dbraw/zinc/42/41/41/1211424141.db2.gz BIGKXJVTOFMJDI-UHFFFAOYSA-N 2 0 363.506 0.588 10 0 FCAERP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)CC1 ZINC000925813392 1211507986 /nfs/dbraw/zinc/50/79/86/1211507986.db2.gz UUGFDUVKHDUWOK-OAHLLOKOSA-N 2 0 368.522 0.579 10 0 FCAERP CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926294915 1211527397 /nfs/dbraw/zinc/52/73/97/1211527397.db2.gz LIZVEONPJVUCMG-PXNSSMCTSA-N 2 0 374.485 0.032 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[C@H]1C[NH3+] ZINC000926298141 1211527857 /nfs/dbraw/zinc/52/78/57/1211527857.db2.gz DBILNKXJXXGEAG-WBVHZDCISA-N 2 0 366.506 0.001 10 0 FCAERP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000926299547 1211528191 /nfs/dbraw/zinc/52/81/91/1211528191.db2.gz RBZPABXZTXVOQT-IBGZPJMESA-N 2 0 366.506 0.023 10 0 FCAERP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC000926337996 1211534283 /nfs/dbraw/zinc/53/42/83/1211534283.db2.gz UWPPSWSEZJEPMU-IBGZPJMESA-N 2 0 366.506 0.036 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[C@H]1C[NH3+] ZINC000926369049 1211540459 /nfs/dbraw/zinc/54/04/59/1211540459.db2.gz ZUXCOSYTICRZBU-KYHPRHEASA-N 2 0 362.518 0.905 10 0 FCAERP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000926402426 1211546646 /nfs/dbraw/zinc/54/66/46/1211546646.db2.gz QUPXYCNWZNAPMT-OXJNMPFZSA-N 2 0 371.485 0.863 10 0 FCAERP O=C1NCC2(CCOCC2)[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000926590887 1211551758 /nfs/dbraw/zinc/55/17/58/1211551758.db2.gz HWYAQQJFSSDGSU-SFHVURJKSA-N 2 0 373.497 0.898 10 0 FCAERP C[N@@H+]1CC[C@H]([NH2+]CC(=O)NCC(=O)NCc2ccccc2)[C@H]2CCC[C@H]21 ZINC000926964737 1211560595 /nfs/dbraw/zinc/56/05/95/1211560595.db2.gz NEKWCZFEVKHPAY-FGTMMUONSA-N 2 0 358.486 0.881 10 0 FCAERP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000927809110 1211582663 /nfs/dbraw/zinc/58/26/63/1211582663.db2.gz CINIZDIEQGJRGA-FHLIZLRMSA-N 2 0 371.485 0.634 10 0 FCAERP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)c2)CC1 ZINC000927851597 1211585356 /nfs/dbraw/zinc/58/53/56/1211585356.db2.gz CIRAFHHFGMXZFA-KRWDZBQOSA-N 2 0 373.501 0.963 10 0 FCAERP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)cc2)CC1 ZINC000927855412 1211586034 /nfs/dbraw/zinc/58/60/34/1211586034.db2.gz RPWJVCSPNUVUIT-KRWDZBQOSA-N 2 0 373.501 0.963 10 0 FCAERP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)c2)CC1 ZINC000927854863 1211586039 /nfs/dbraw/zinc/58/60/39/1211586039.db2.gz NTNMQUDEWYDPSG-KRWDZBQOSA-N 2 0 373.501 0.568 10 0 FCAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)cc1 ZINC000927880992 1211589273 /nfs/dbraw/zinc/58/92/73/1211589273.db2.gz AHQGCAMZIZBHEJ-IBGZPJMESA-N 2 0 362.474 0.779 10 0 FCAERP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000927882202 1211589434 /nfs/dbraw/zinc/58/94/34/1211589434.db2.gz LCLAEYAHZXSJDL-FQEVSTJZSA-N 2 0 374.485 0.576 10 0 FCAERP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000927885432 1211590018 /nfs/dbraw/zinc/59/00/18/1211590018.db2.gz KPRYVKHUCYCVOG-HXUWFJFHSA-N 2 0 374.485 0.923 10 0 FCAERP C[C@@H]1[C@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[NH+](C)[C@@H]3C)nc2)CC[N@@H+]1C ZINC000928436680 1211602054 /nfs/dbraw/zinc/60/20/54/1211602054.db2.gz VHQQELBQSYGBAP-XOUADPBQSA-N 2 0 359.474 0.726 10 0 FCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929405216 1211637247 /nfs/dbraw/zinc/63/72/47/1211637247.db2.gz RHWGAGWVMDBOCN-IXDOHACOSA-N 2 0 366.506 0.035 10 0 FCAERP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1 ZINC000929497938 1211641719 /nfs/dbraw/zinc/64/17/19/1211641719.db2.gz BDBPILXKTFKEOO-FXAWDEMLSA-N 2 0 358.486 0.775 10 0 FCAERP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000929667030 1211653826 /nfs/dbraw/zinc/65/38/26/1211653826.db2.gz PTTJAMQJGVJBFE-FXAWDEMLSA-N 2 0 358.486 0.645 10 0 FCAERP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000929746173 1211658217 /nfs/dbraw/zinc/65/82/17/1211658217.db2.gz AKIXELTUQPUJIR-WBVHZDCISA-N 2 0 359.474 0.544 10 0 FCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931507915 1211759284 /nfs/dbraw/zinc/75/92/84/1211759284.db2.gz BDUNGLQWUKCHJA-HNNXBMFYSA-N 2 0 361.490 0.495 10 0 FCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)[C@@H](C)C1 ZINC000931610459 1211763497 /nfs/dbraw/zinc/76/34/97/1211763497.db2.gz DPXLVFSGSHFJPQ-WMLDXEAASA-N 2 0 361.490 0.953 10 0 FCAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000418849597 1213863465 /nfs/dbraw/zinc/86/34/65/1213863465.db2.gz DAIKRTRCFBKOOS-FXAWDEMLSA-N 2 0 358.486 0.630 10 0 FCAERP C[NH+]1CCN(c2ncccc2CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900398663 1217985016 /nfs/dbraw/zinc/98/50/16/1217985016.db2.gz UBGDFKAOLOFBBO-IBGZPJMESA-N 2 0 361.490 0.296 10 0 FCAERP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903778791 1218523381 /nfs/dbraw/zinc/52/33/81/1218523381.db2.gz SAENFDRIAIEINF-OWCLPIDISA-N 2 0 359.474 0.562 10 0 FCAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001490926631 1220045329 /nfs/dbraw/zinc/04/53/29/1220045329.db2.gz OQUTWEXBLASSLB-QKLQHJQFSA-N 2 0 362.518 0.777 10 0 FCAERP COCCOC[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001277397642 1226016531 /nfs/dbraw/zinc/01/65/31/1226016531.db2.gz QVNIOACCIUKPGR-KBAYOESNSA-N 2 0 371.522 0.273 10 0 FCAERP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C[C@@H]1F ZINC001117141076 1221478639 /nfs/dbraw/zinc/47/86/39/1221478639.db2.gz PEFYDGVGZNXFCD-PBHICJAKSA-N 2 0 368.497 0.868 10 0 FCAERP [NH3+]C1CCC(NC(=O)C[C@]2(C(=O)NC3CCC([NH3+])CC3)CC[NH2+]C2)CC1 ZINC001118197257 1221731341 /nfs/dbraw/zinc/73/13/41/1221731341.db2.gz PFUUMJAPGZAWLH-FYFWZASSSA-N 3 0 365.522 0.128 10 0 FCAERP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cn1 ZINC001118442979 1221779868 /nfs/dbraw/zinc/77/98/68/1221779868.db2.gz HOSAQEFCEBBFOF-ZHALLVOQSA-N 2 0 363.506 0.371 10 0 FCAERP CC(=O)N(C(=O)C(=O)N1CCC(CC[NH3+])CC1)c1cccc2c1C[NH2+]CC2 ZINC001119037789 1221859816 /nfs/dbraw/zinc/85/98/16/1221859816.db2.gz XIHODXDKPGFLIP-UHFFFAOYSA-N 2 0 372.469 0.799 10 0 FCAERP O=C(NCc1ncccc1NC(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC001119628009 1221941841 /nfs/dbraw/zinc/94/18/41/1221941841.db2.gz ANQJXMCEQAWWMQ-UHFFFAOYSA-N 2 0 369.469 0.828 10 0 FCAERP C[N@@H+]1C[C@@H]2CN(c3nnc(C4=[NH+]O[C@H](CO)C4)n3CC3CC3)C[C@]2(C)C1 ZINC001123674176 1222348675 /nfs/dbraw/zinc/34/86/75/1222348675.db2.gz VVZNHVKMXMQJGS-GLJUWKHASA-N 2 0 360.462 0.561 10 0 FCAERP C[C@@H](CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC001123737546 1222353791 /nfs/dbraw/zinc/35/37/91/1222353791.db2.gz ZIWGNNRTMPTBGE-HNNXBMFYSA-N 2 0 363.510 0.907 10 0 FCAERP C[NH+]1C[C@@H]2[C@H](NC(=O)[C@H](F)C(=O)N[C@H]3CC[C@H]4C[N@@H+](C)C[C@@H]43)CC[C@@H]2C1 ZINC001124106660 1222380957 /nfs/dbraw/zinc/38/09/57/1222380957.db2.gz HZPNABSICVVCCV-HCCOSRNKSA-N 2 0 366.481 0.237 10 0 FCAERP C[NH+]1CC2(C1)CCN(C(=O)/C=C/C=C/C(=O)N1CCC3(C[NH+](C)C3)C1)C2 ZINC000834522288 1222577551 /nfs/dbraw/zinc/57/75/51/1222577551.db2.gz MLVAXTFJDJAEDK-GGWOSOGESA-N 2 0 358.486 0.427 10 0 FCAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000843258491 1222867422 /nfs/dbraw/zinc/86/74/22/1222867422.db2.gz GHCWFURWCXDVDZ-XYJFISCASA-N 2 0 372.469 0.051 10 0 FCAERP Cc1cc(NC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)no1 ZINC001276590509 1223580843 /nfs/dbraw/zinc/58/08/43/1223580843.db2.gz XUZFYRPFLJKZCO-BPLDGKMQSA-N 2 0 363.462 0.746 10 0 FCAERP CC[NH+](CC)CC(=O)N1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903890239 1245478566 /nfs/dbraw/zinc/47/85/66/1245478566.db2.gz AFMKQHKKLMKESK-MRXNPFEDSA-N 2 0 363.510 0.189 10 0 FCAERP C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000919297520 1245602653 /nfs/dbraw/zinc/60/26/53/1245602653.db2.gz NDLFZYYKZSHSTM-BRWVUGGUSA-N 2 0 360.506 0.984 10 0 FCAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC(=O)NC[C@@H]1Cc3ccccc3O1)CC2 ZINC000923448936 1245721030 /nfs/dbraw/zinc/72/10/30/1245721030.db2.gz INWRLVADNWBTKX-DLBZAZTESA-N 2 0 359.470 0.936 10 0 FCAERP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000923476753 1245722940 /nfs/dbraw/zinc/72/29/40/1245722940.db2.gz GHDDOERUWLMHKV-NRFANRHFSA-N 2 0 374.529 0.815 10 0 FCAERP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000929354977 1245740826 /nfs/dbraw/zinc/74/08/26/1245740826.db2.gz MDLSWWVNFOOJCU-UHFFFAOYSA-N 2 0 369.554 0.175 10 0 FCAERP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001515238662 1265474657 /nfs/dbraw/zinc/47/46/57/1265474657.db2.gz LYOZLEMXMGFNFW-QBPKDAKJSA-N 2 0 368.522 0.401 10 0 FCAERP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001329241801 1265719428 /nfs/dbraw/zinc/71/94/28/1265719428.db2.gz TUVDGKODMGSOTM-KRWDZBQOSA-N 2 0 366.506 0.158 10 0 FCAERP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+](C)CC1 ZINC001519686031 1265749731 /nfs/dbraw/zinc/74/97/31/1265749731.db2.gz CTFSVWHMCVMWKB-NVXWUHKLSA-N 2 0 353.511 0.175 10 0 FCAERP C[NH+]1CCC(n2cc(NC(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)cn2)CC1 ZINC001329563208 1265782297 /nfs/dbraw/zinc/78/22/97/1265782297.db2.gz POAQSJSDVZYXLZ-GOSISDBHSA-N 2 0 362.478 0.594 10 0 FCAERP C[C@@H](CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC001520193139 1265875591 /nfs/dbraw/zinc/87/55/91/1265875591.db2.gz YKXXFHFAFFULBJ-IRXDYDNUSA-N 2 0 355.527 0.375 10 0 FCAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001520228523 1265882797 /nfs/dbraw/zinc/88/27/97/1265882797.db2.gz FAIRQGNHXGTWRV-ZJPYXAASSA-N 2 0 364.534 0.975 10 0 FCAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001330599837 1266068569 /nfs/dbraw/zinc/06/85/69/1266068569.db2.gz SJVXPPWMTHNEQU-KBUPBQIOSA-N 2 0 360.462 0.240 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001330599104 1266068691 /nfs/dbraw/zinc/06/86/91/1266068691.db2.gz JFAPZHYXBMQYAC-ZQDZILKHSA-N 2 0 363.462 0.828 10 0 FCAERP CC1(C)CC[N@H+](CCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001521170284 1266095652 /nfs/dbraw/zinc/09/56/52/1266095652.db2.gz ARYBTAZSVQXQFR-MAUKXSAKSA-N 2 0 354.495 0.243 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC001521650536 1266157781 /nfs/dbraw/zinc/15/77/81/1266157781.db2.gz QKRNEKULPKGCCG-QFBILLFUSA-N 2 0 362.518 0.731 10 0 FCAERP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001335609839 1259740714 /nfs/dbraw/zinc/74/07/14/1259740714.db2.gz MIDVCBLADKVKKL-MRXNPFEDSA-N 2 0 350.507 0.873 10 0 FCAERP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001331775107 1266285656 /nfs/dbraw/zinc/28/56/56/1266285656.db2.gz OWFSZVCPWSNYPO-QGZVFWFLSA-N 2 0 368.522 0.402 10 0 FCAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC2(CCC2)CO1 ZINC001331869052 1266298288 /nfs/dbraw/zinc/29/82/88/1266298288.db2.gz QVOCYILZGKYINW-INIZCTEOSA-N 2 0 368.522 0.404 10 0 FCAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001261445571 1260139289 /nfs/dbraw/zinc/13/92/89/1260139289.db2.gz DOSGJQDSQDRIHE-BJWYYQGGSA-N 2 0 371.485 0.625 10 0 FCAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001264719044 1260400652 /nfs/dbraw/zinc/40/06/52/1260400652.db2.gz KNLHZIHXXFFICR-CABCVRRESA-N 2 0 366.506 0.692 10 0 FCAERP CC(C)OCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265905837 1260419829 /nfs/dbraw/zinc/41/98/29/1260419829.db2.gz XSCVLIYFJSJHSH-IXDOHACOSA-N 2 0 368.522 0.448 10 0 FCAERP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)Nc3ccc(O)cc3)C2)CC[N@@H+]1C ZINC001265905733 1260420037 /nfs/dbraw/zinc/42/00/37/1260420037.db2.gz WWKAGAICNKJBOS-UKPHBRMFSA-N 2 0 360.458 0.861 10 0 FCAERP COCCCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001280691934 1261071166 /nfs/dbraw/zinc/07/11/66/1261071166.db2.gz LOMLSJAGGPGLAO-CEXWTWQISA-N 2 0 366.550 0.972 10 0 FCAERP C[C@@H]1CC[N@H+](CC(=O)NCCOCCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001280918382 1261077713 /nfs/dbraw/zinc/07/77/13/1261077713.db2.gz FVQVBXMLRSEFAN-BRWVUGGUSA-N 2 0 368.522 0.260 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]Cc3nncn3C)CCOCC2)CC[N@@H+]1C ZINC001281239504 1261096042 /nfs/dbraw/zinc/09/60/42/1261096042.db2.gz NXCXBTSIHSIAIK-LSDHHAIUSA-N 2 0 364.494 0.300 10 0 FCAERP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001281665733 1261139937 /nfs/dbraw/zinc/13/99/37/1261139937.db2.gz PRFMSVAVQFYSDO-GVDBMIGSSA-N 2 0 368.522 0.281 10 0 FCAERP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1O ZINC001281672865 1261142337 /nfs/dbraw/zinc/14/23/37/1261142337.db2.gz SOBSBCBUUQKANU-GVDBMIGSSA-N 2 0 368.522 0.281 10 0 FCAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001281915315 1261283612 /nfs/dbraw/zinc/28/36/12/1261283612.db2.gz ZSLIYBVGQJCYEU-IKGGRYGDSA-N 2 0 368.522 0.279 10 0 FCAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001282440485 1261455104 /nfs/dbraw/zinc/45/51/04/1261455104.db2.gz ARJYMTFIIYOFCG-XLIONFOSSA-N 2 0 364.534 0.977 10 0 FCAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001282441499 1261456125 /nfs/dbraw/zinc/45/61/25/1261456125.db2.gz FQIJRSCKPDNGMW-HLIPFELVSA-N 2 0 364.534 0.975 10 0 FCAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001345401459 1261695762 /nfs/dbraw/zinc/69/57/62/1261695762.db2.gz PRRBUQUOLHRNCM-PMPSAXMXSA-N 2 0 368.497 0.868 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001284415862 1261755035 /nfs/dbraw/zinc/75/50/35/1261755035.db2.gz FIJKLQNIFZLYIC-YESZJQIVSA-N 2 0 368.522 0.184 10 0 FCAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001290933041 1262538962 /nfs/dbraw/zinc/53/89/62/1262538962.db2.gz NPASMMFLHMALFW-HZPDHXFCSA-N 2 0 362.518 0.777 10 0 FCAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001290952982 1262543183 /nfs/dbraw/zinc/54/31/83/1262543183.db2.gz DWTGDTGSXNDTRC-BRWVUGGUSA-N 2 0 362.518 0.635 10 0 FCAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001479294756 1263182926 /nfs/dbraw/zinc/18/29/26/1263182926.db2.gz HXTASKSGPAQYIB-SBJFKYEJSA-N 2 0 367.494 0.045 10 0 FCAERP CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001479460810 1263209252 /nfs/dbraw/zinc/20/92/52/1263209252.db2.gz PWUCKEPVVRAASF-JKSUJKDBSA-N 2 0 350.507 0.873 10 0 FCAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCn1cccn1 ZINC001479646670 1263303183 /nfs/dbraw/zinc/30/31/83/1263303183.db2.gz ILENDDGHWGHOMB-FGTMMUONSA-N 2 0 363.506 0.821 10 0 FCAERP 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